# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-03-10T15:27:00+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 7 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
"1000191","5.892","0.003","10.632","0.004","6.745","0.004","90","","105.88","0.04","90","","406.4","","","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","Silver chromium phosphorus sulfide (.5/.5/1/3)","","- Ag0.5 Cr0.5 P S3 -","- Ag0.5001 Cr0.5 P S3 -","- Ag2.0004 Cr2 P4 S12 -","4","1","","Colombet, P; Leblanc, A; Danot, M; Rouxel, J","Coordinance inhabituelle de l'argent dans un sufur lamellaire a sous- reseau magnetique 1D: le compose Ag~.5~ Cr~.5~ P S~3~","Nouveau Journal de Chimie","1983","7","","333","338","","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000192","5.892","0.003","10.632","0.004","6.745","0.004","90","","105.88","0.04","90","","406.4","","","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","Silver chromium phosphorus sulfide (.5/.5/1/3)","","- Ag0.5 Cr0.5 P S3 -","- Ag0.5 Cr0.5 P S3 -","- Ag2 Cr2 P4 S12 -","4","1","","Colombet, P; Leblanc, A; Danot, M; Rouxel, J","Coordinance inhabituelle de l'argent dans un sufur lamellaire a sous- reseau magnetique 1D: le compose Ag~.5~ Cr~.5~ P S~3~","Nouveau Journal de Chimie","1983","7","","333","338","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000442","4.8437","0.0002","8.33","0.0003","8.9547","0.0004","90","","90","","90","","361.3","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","Aluminium oxide - κ","","- Al2 O3 -","- Al2 O3 -","- Al16 O24 -","8","2","","Ollivier, Benoist; Retoux, Richard; Lacorre, Philippe; Massiot, Dominique; Férey, Gérard","Crystal structure of κ-alumina: an X-ray powder diffraction, TEM and NMR study","Journal of Materials Chemistry","1997","7","6","1049","1056","10.1039/a700054e","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1001054","4.077","0.003","4.077","0.003","4.077","0.003","90","","90","","90","","67.8","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Dibarium tantalum cobalt(III) oxide","","- Ba Co0.5 O3 Ta0.5 -","- Ba Co0.5 O3 Ta0.5 -","- Ba Co0.5 O3 Ta0.5 -","1","0.0208333","","Padel, L; Poix, P; Bernier, J C; Michel, A","Structure et proprietes magnetique de la perovskite Ba~2~ Ta Co O~6~","Materials Research Bulletin","1972","7","","443","448","10.1016/0025-5408(72)90146-8","","","","","","0.04","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001111","6.774","","6.774","","9.922","","90","","90","","120","","394.3","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Dipotassium titanium cyclo-trisilicate","","- K2 O9 Si3 Ti -","- K2 O9 Si3 Ti -","- K4 O18 Si6 Ti2 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Evolution structural de nouveaux germanates et silicates de type Wadeite et de structure apparentee","Journal of Solid State Chemistry","1973","7","","408","417","10.1016/0022-4596(73)90169-2","","","","","","0.085","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001112","6.896","","6.896","","9.943","","90","","90","","120","","409.5","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Dirubidium titanium cyclo-trisilicate","","- O9 Rb2 Si3 Ti -","- O9 Rb2 Si3 Ti -","- O18 Rb4 Si6 Ti2 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Evolution structural de nouveaux germanates et silicates de type Wadeite et de structure apparentee","Journal of Solid State Chemistry","1973","7","","408","417","10.1016/0022-4596(73)90169-2","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001113","6.86","","6.86","","10.12","","90","","90","","120","","412.4","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Dipotassium tin(IV) cyclo-trisilicate","","- K2 O9 Si3 Sn -","- K2 O9 Si3 Sn -","- K4 O18 Si6 Sn2 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Evolution structural de nouveaux germanates et silicates de type Wadeite et de structure apparentee","Journal of Solid State Chemistry","1973","7","","408","417","10.1016/0022-4596(73)90169-2","","","","","","0.092","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001114","6.943","","6.943","","10.04","","90","","90","","120","","419.1","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Dirubidium tin(IV) cyclo-trisilicate","","- O9 Rb2 Si3 Sn -","- O9 Rb2 Si3 Sn -","- O18 Rb4 Si6 Sn2 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Evolution structural de nouveaux germanates et silicates de type Wadeite et de structure apparentee","Journal of Solid State Chemistry","1973","7","","408","417","10.1016/0022-4596(73)90169-2","","","","","","0.096","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001115","6.99","","6.99","","10.267","","90","","90","","120","","434.4","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Dithallium titanium cyclo-trigermanate","","- Ge3 O9 Ti Tl2 -","- Ge3 O9 Ti Tl2 -","- Ge6 O18 Ti2 Tl4 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Evolution structural de nouveaux germanates et silicates de type Wadeite et de structure apparentee","Journal of Solid State Chemistry","1973","7","","408","417","10.1016/0022-4596(73)90169-2","","","","","","0.103","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001116","7.191","","7.191","","10.36","","90","","90","","120","","463.9","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Dicaesium titanium cyclo-trigermanate","","- Cs2 Ge3 O9 Ti -","- Cs2 Ge3 O9 Ti -","- Cs4 Ge6 O18 Ti2 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Evolution structural de nouveaux germanates et silicates de type Wadeite et de structure apparentee","Journal of Solid State Chemistry","1973","7","","408","417","10.1016/0022-4596(73)90169-2","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001117","7.288","","7.288","","10.472","","90","","90","","120","","481.7","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Dicaesium tin(IV) cyclo-trigermanate","","- Cs2 Ge3 O9 Sn -","- Cs2 Ge3 O9 Sn -","- Cs4 Ge6 O18 Sn2 -","2","0.166667","","Choisnet, J; Deschanvres, A; Raveau, B","Evolution structural de nouveaux germanates et silicates de type Wadeite et de structure apparentee","Journal of Solid State Chemistry","1973","7","","408","417","10.1016/0022-4596(73)90169-2","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001118","11.916","","11.916","","10.018","","90","","90","","120","","1231.9","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","Dipotassium titanium cyclo-trigermanate","","- Ge3 K2 O9 Ti -","- Ge3 K2 O9 Ti -","- Ge18 K12 O54 Ti6 -","6","0.5","","Choisnet, J; Deschanvres, A; Raveau, B","Evolution structural de nouveaux germanates et silicates de type Wadeite et de structure apparentee","Journal of Solid State Chemistry","1973","7","","408","417","10.1016/0022-4596(73)90169-2","","","","","","0.096","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001119","12.195","","12.195","","10.148","","90","","90","","120","","1307","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","DIRUBIDIUM TITANIUM CYCLO-TRIGERMANATE","","- Ge3 O9 Rb2 Ti -","- Ge3 O9 Rb2 Ti -","- Ge18 O54 Rb12 Ti6 -","6","0.5","","Choisnet, J; Deschanvres, A; Raveau, B","Evolution structural de nouveaux germanates et silicates de type Wadeite et de structure apparentee","Journal of Solid State Chemistry","1973","7","","408","417","10.1016/0022-4596(73)90169-2","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001120","12.082","","12.082","","10.181","","90","","90","","120","","1287.1","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","Dipotassium tin(IV) cyclo-trigermanate","","- Ge3 K2 O9 Sn -","- Ge3 K2 O9 Sn -","- Ge18 K12 O54 Sn6 -","6","0.5","","Choisnet, J; Deschanvres, A; Raveau, B","Evolution structural de nouveaux germanates et silicates de type Wadeite et de structure apparentee","Journal of Solid State Chemistry","1973","7","","408","417","10.1016/0022-4596(73)90169-2","","","","","","0.059","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001121","12.305","","12.305","","10.205","","90","","90","","120","","1338.2","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","Dirubidium tin(IV) cyclo-trigermanate","","- Ge3 O9 Rb2 Sn -","- Ge3 O9 Rb2 Sn -","- Ge18 O54 Rb12 Sn6 -","6","0.5","","Choisnet, J; Deschanvres, A; Raveau, B","Evolution structural de nouveaux germanates et silicates de type Wadeite et de structure apparentee","Journal of Solid State Chemistry","1973","7","","408","417","10.1016/0022-4596(73)90169-2","","","","","","0.083","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001122","12.351","","12.351","","10.134","","90","","90","","120","","1338.8","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","Dithallium tin(IV) cyclo-trigermanate","","- Ge3 O9 Sn Tl2 -","- Ge3 O9 Sn Tl2 -","- Ge18 O54 Sn6 Tl12 -","6","0.5","","Choisnet, J; Deschanvres, A; Raveau, B","Evolution structural de nouveaux germanates et silicates de type Wadeite et de structure apparentee","Journal of Solid State Chemistry","1973","7","","408","417","10.1016/0022-4596(73)90169-2","","","","","","0.081","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001123","5.298","","5.377","","3.774","","90","","90","","90","","107.5","","","","","","","","","","","","","4","C m m m","-C 2 2","65","","Yttrium tantalum tungsten oxide (0.06/0.2/0.8/3)","","- O3 Ta0.18 W0.82 Y0.06 -","- O3 Ta0.18 W0.82 Y0.06 -","- O6 Ta0.36 W1.64 Y0.12 -","2","0.125","","Studer, F; Montfort, Y; Raveau, B","Evolution structurale de nouvelles Perovskites lacunaires Y~x~ (Ta~3x~ W~1-3X~) O~3~","Journal of Solid State Chemistry","1973","7","","269","276","10.1016/0022-4596(73)90133-3","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001124","3.833","","3.833","","3.833","","90","","90","","90","","56.3","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Yttrium tantalum tungsten oxide (0.2/0.7/0.3/3)","","- O3 Ta0.72 W0.28 Y0.24 -","- O3 Ta0.72 W0.28 Y0.24 -","- O3 Ta0.72 W0.28 Y0.24 -","1","0.0208333","","Studer, F; Montfort, Y; Raveau, B","Evolution structurale de nouvelles Perovskites lacunaires Y~x~ (Ta~3X~ W~1-3X~) O~3~","Journal of Solid State Chemistry","1973","7","","269","276","10.1016/0022-4596(73)90133-3","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001125","3.833","","3.833","","7.727","","90","","90","","90","","113.5","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Yttrium tantalum tungsten oxide (0.3/0.9/0.1/3)","","- O3 Ta0.9 W0.1 Y0.3 -","- O3 Ta0.9 W0.1 Y0.3 -","- O6 Ta1.8 W0.2 Y0.6 -","2","0.125","","Studer, F; Montfort, Y; Raveau, B","Evolution structurale de nouvelles Perovskites lacunaires Y~x~ (Ta~3X~ W~1-3X~) O~3~","Journal of Solid State Chemistry","1973","7","","269","276","10.1016/0022-4596(73)90133-3","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001666","3.7966","0.0003","3.7966","0.0003","12.092","0.001","90","","90","","90","","174.3","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Thallium strontium calcium copper oxide (1.2/2/0.8/2/7)","","- Ca0.81 Cu2 O7 Sr2 Tl1.19 -","- Ca0.81 Cu2 O7 Sr2 Tl1.19 -","- Ca0.81 Cu2 O7 Sr2 Tl1.19 -","1","0.0625","","Martin, C; Maignan, A; Labbe, Ph; Chardon, J; Hejtmanek, J; Raveau, B","Single-crystal study of the 55 K superconductor Tl Sr2 Ca Cu2 O7-d","Chemistry of Materials (1,1989-","1995","7","","1414","1418","10.1021/cm00055a021","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001667","3.7808","0.0005","3.7808","0.0005","12.0855","0.0012","90","","90","","90","","172.8","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Thallium strontium calcium copper oxide (1.2/2/0.8/2/7)","","- Ca0.81 Cu2 O7 Sr2 Tl1.19 -","- Ca0.81 Cu2 O7 Sr2 Tl1.19 -","- Ca0.81 Cu2 O7 Sr2 Tl1.19 -","1","0.0625","","Martin, C; Maignan, A; Labbe, Ph; Chardon, J; Hejtmanek, J; Raveau, B","Single-crystal study of the 55 K superconductor Tl Sr2 Ca Cu2 O7-d","Chemistry of Materials (1,1989-","1995","7","","1414","1418","10.1021/cm00055a021","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001701","10.748","0.0003","10.748","0.0003","3.8976","0.0002","90","","90","","90","","450.2","","","","","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","Lanthanum strontium copper iron oxide (4.4/3.6/6/2/20)","","- Cu6 Fe2 La4.4 O20 Sr3.6 -","- Cu6 Fe2 La4.4 O20 Sr3.6 -","- Cu6 Fe2 La4.4 O20 Sr3.6 -","1","0.0625","","Genouel, R; Michel, C; Raveau, B","Powder neutron diffraction study of the ordered oxygen-deficient perovskites (La, Sr)8 Cu8-x Fex O20","Chemistry of Materials (1,1989-","1995","7","","2181","2184","10.1021/cm00059a028","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001702","10.787","0.0003","10.787","0.0003","3.8915","0.0001","90","","90","","90","","452.8","","","","","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","Lanthanum strontium copper iron oxide (5.2/2.8/6.8/1.2/20)","","- Cu6.8 Fe1.2 La5.2 O20 Sr2.8 -","- Cu6.8 Fe1.2 La5.2 O20 Sr2.8 -","- Cu6.8 Fe1.2 La5.2 O20 Sr2.8 -","1","0.0625","","Genouel, R; Michel, C; Raveau, B","Powder neutron diffraction study of the ordered oxygen-deficient perovskites (La, Sr)8 Cu8-x Fex O20","Chemistry of Materials (1,1989-","1995","7","","2181","2184","10.1021/cm00059a028","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001703","10.8088","0.0005","10.8088","0.0005","3.8992","0.0002","90","","90","","90","","455.5","","","","","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","Lanthanum strontium copper iron oxide (6.4/1.6/6.8/1.2/20)","","- Cu6.8 Fe1.2 La6.4 O20 Sr1.6 -","- Cu6.8 Fe1.2 La6.4 O20 Sr1.6 -","- Cu6.8 Fe1.2 La6.4 O20 Sr1.6 -","1","0.0625","","Genouel, R; Michel, C; Raveau, B","Powder neutron diffraction study of the ordered oxygen-deficient perovskites (La, Sr)8 Cu8-x Fex O20","Chemistry of Materials (1,1989-","1995","7","","2181","2184","10.1021/cm00059a028","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001709","5.488","0.001","5.475","0.001","31.50899","0.005","90","","90","","90","","946.7","","","","","","","","","","","","","4","F m m m","-F 2 2","69","","Bismuth strontium iron oxide (2/2.6/2/11)","","- Bi2 Fe2 O11 Sr2.591 -","- Bi2 Fe2 O11 Sr2.591 -","- Bi8 Fe8 O44 Sr10.364 -","4","0.125","","Perez, O; Leligny, H; Grebille, D; Labbe, Ph; Groult, D; Raveau, B","X-ray investigation of the incommensurate modulated structure of Bi2+x Sr3-x Fe2 O9+d","Journal of Physics: Condensed Matter","1995","7","","10003","10014","10.1088/0953-8984/7/50/030","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001863","16.952","0.002","16.952","0.002","11.833","0.001","90","","90","","120","","2944.9","","","","","","","","","","","","","6","P 63/m","-P 6c","176","","Dipotassium heptacaesium tecto-nonamolybdo(V)trialumoundecaphosphate(V)","","- Al3 Cs7 K2 Mo9 O59 P11 -","- Al3 Cs7.002 K1.998 Mo9 O59 P11 -","- Al6 Cs14.004 K3.996 Mo18 O118 P22 -","2","0.166667","","Guesdon, A; Leclaire, A; Borel, M M; Raveau, B","Significant structural disorganization in alkaline molybdenum(V) aluminophosphates","Chemistry of Materials (1,1989-","1995","7","","1873","1878","10.1021/cm00058a018","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006079","4.2364","0.0004","4.2364","0.0004","4.2364","0.0004","90","","90","","90","","76","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Ammonium trifluoromanganate(II)","","- F3 H4 Mn N -","- F3 H8.0008 Mn N -","- F3 H8.0008 Mn N -","1","0.0208333","","Rubin, J; Palacios, E; Bartolome, J; Rodriguez-Carvajal, J","A single-crystal neutron diffraction study of N H4 Mn F3","Journal of Physics: Condensed Matter","1995","7","","563","575","10.1088/0953-8984/7/3/011","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006080","4.2364","0.0004","4.2364","0.0004","4.2364","0.0004","90","","90","","90","","76","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Ammonium trifluoromanganate(II)","","- F3 H4 Mn N -","- F3 H4.0833 Mn N -","- F3 H4.0833 Mn N -","1","0.0208333","","Rubin, J; Palacios, E; Bartolome, J; Rodriguez-Carvajal, J","A single-crystal neutron diffraction study of N H4 Mn F3","Journal of Physics: Condensed Matter","1995","7","","563","575","10.1088/0953-8984/7/3/011","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006081","5.952","0.001","8.543","0.001","5.949","0.001","90","","90","","90","","302.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ammonium trifluoromanganate(II)","","- F3 H4 Mn N -","- F3 H8.0495 Mn N -","- F12 H32.198 Mn4 N4 -","4","0.5","","Rubin, J; Palacios, E; Bartolome, J; Rodriguez-Carvajal, J","A single-crystal neutron diffraction study of N H4 Mn F3","Journal of Physics: Condensed Matter","1995","7","","563","575","10.1088/0953-8984/7/3/011","","","","","","0.071","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006082","5.952","0.001","8.543","0.001","5.949","0.001","90","","90","","90","","302.5","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ammonium trifluoromanganate(II)","","- F3 H4 Mn N -","- F3 H8.037 Mn N -","- F12 H32.148 Mn4 N4 -","4","0.5","","Rubin, J; Palacios, E; Bartolome, J; Rodriguez-Carvajal, J","A single-crystal neutron diffraction study of N H4 Mn F3","Journal of Physics: Condensed Matter","1995","7","","563","575","10.1088/0953-8984/7/3/011","","","","","","0.074","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006098","13.5795","0.0007","9.7024","0.0007","7.0147","0.0003","90","","90","","90","","924.2","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium aquapentachloroferrate(III)","","- Cl5 Fe H2 K2 O -","- Cl5 Fe H2 K2 O -","- Cl20 Fe4 H8 K8 O4 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006099","13.5862","0.0009","9.7087","0.0005","7.0177","0.0005","90","","90","","90","","925.7","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe K2 O -","- Cl5 D2 Fe K2 O -","- Cl20 D8 Fe4 K8 O4 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006100","13.4653","0.0003","9.6132","0.0002","6.9836","0.0002","90","","90","","90","","904","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe K2 O -","- Cl5 D2 Fe K2 O -","- Cl20 D8 Fe4 K8 O4 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006101","13.4389","0.0003","9.6025","0.0002","6.9789","0.0002","90","","90","","90","","900.6","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe K2 O -","- Cl5 D2 Fe K2 O -","- Cl20 D8 Fe4 K8 O4 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.012","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006102","13.4391","0.0003","9.5981","0.0002","6.9797","0.0002","90","","90","","90","","900.3","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Potassium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe K2 O -","- Cl5 D2 Fe K2 O -","- Cl20 D8 Fe4 K8 O4 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.012","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006103","13.8015","0.0002","9.9049","0.0001","7.0783","0.0001","90","","90","","90","","967.6","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rubidium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe O Rb2 -","- Cl5 D2 Fe O Rb2 -","- Cl20 D8 Fe4 O4 Rb8 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006104","13.7101","0.0001","9.8517","0.0001","7.0255","0","90","","90","","90","","948.9","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rubidium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe O Rb2 -","- Cl5 D2 Fe O Rb2 -","- Cl20 D8 Fe4 O4 Rb8 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006105","13.6798","0.0002","9.8507","0.0002","7.0069","0.0001","90","","90","","90","","944.2","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rubidium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe O Rb2 -","- Cl5 D2 Fe O Rb2 -","- Cl20 D8 Fe4 O4 Rb8 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1006106","13.6801","0.0002","9.8471","0.0002","7.0073","0.0001","90","","90","","90","","943.9","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Rubidium dideuteriohydratopentachloroferrate(III)","","- Cl5 D2 Fe O Rb2 -","- Cl5 D2 Fe O Rb2 -","- Cl20 D8 Fe4 O4 Rb8 -","4","0.5","","Gabas, M; Palacio, F; Rodriguez-Carvajal, J; Visser, D","Magnetic structures of the three-dimensional Heisenberg antiferromagnets K2 Fe Cl5 . (D2 O) and Rb2 Fe Cl5 . (D2 O)","Journal of Physics: Condensed Matter","1995","7","","4725","4738","10.1088/0953-8984/7/24/012","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1008068","5.805","0.002","5.805","","7.556","","90","","90","","120","","220.5","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Rubidium sodium tetrafluoroberyllate (1.5/.5/1)","","- Be2 F8 Na Rb3 -","- Be2 F8 Na Rb3 -","- Be2 F8 Na Rb3 -","1","0.0833333","","Pontonnier, L; Caillet, M; Aleonard, S","Etude des systemes Me(I)~2~ Be F~4~ - Na~2~ Be F~4~","Materials Research Bulletin","1972","7","","799","812","10.1016/0025-5408(72)90130-4","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","282761","2023-04-20","06:45:55",""
"1008088","3.9335","","3.9335","","20.853","","90","","90","","90","","322.6","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","BARIUM DILANTHANUM DIIRON(III) OXIDE","","- Ba Fe2 La2 O7 -","- Ba0.999 Fe2 La2.001 O7 -","- Ba1.998 Fe4 La4.002 O14 -","2","0.0625","","Samaras, D; Collomb, A; Joubert, J C","Determination des structures de deux ferrite mixtes nouveaux de formule Ba La~2~ Fe~2~ O~7~ et Sr Tb~2~ Fe~2~ O~7~","Journal of Solid State Chemistry","1973","7","","337","348","10.1016/0022-4596(73)90142-4","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008109","12.796","","7.454","","6.034","","90","","90","","90","","575.5","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Manganese tetrathiogermanate","","- Ge Mn2 S4 -","- Ge Mn2 S4 -","- Ge4 Mn8 S16 -","4","0.5","","Duc Tran Qui; Vincent, H; Bertaut, E F; Qui Vu Van","Etude par Diffraction Neutronique de la Structure Nucleaire et Magnetique de l'Orthothiogermanate de Manganese","Solid State Communications","1969","7","","641","645","10.1016/0038-1098(69)90583-3","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008113","7.08","","7.08","","3.978","","90","","90","","90","","199.4","","","","","","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","Uranium boride (1/4)","","- B4 U -","- B4 U -","- B16 U4 -","4","0.25","","Blum, P; Bertaut, F","Contribution a l'Etude des Borures a Teneur Elevee en Bore","Acta Crystallographica (1,1948-23,1967)","1954","7","","81","86","10.1107/S0365110X54000151","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008114","4.151","","4.151","","4.151","","90","","90","","90","","71.5","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Sodium thorium boride (.77/.23/6)","","- B6 Na0.77 Th0.23 -","- B6 Na0.77 Th0.23 -","- B6 Na0.77 Th0.23 -","1","0.0208333","","Blum, P; Bertaut, F","Contribution a l'Etude des Borures a Teneur Elevee en Bore","Acta Crystallographica (1,1948-23,1967)","1954","7","","81","86","10.1107/S0365110X54000151","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008115","7.468","","7.468","","7.468","","90","","90","","90","","416.5","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Uranium boride (1/12)","","- B12 U -","- B12 U -","- B48 U4 -","4","0.0208333","","Blum, P; Bertaut, F","Contribution a l'Etude des Borures a Teneur Elevee en Bore","Acta Crystallographica (1,1948-23,1967)","1954","7","","81","86","10.1107/S0365110X54000151","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008832","5.5065","","5.5065","","19.659","","90","","90","","90","","596.1","","","","","","","","","","","","","4","P 42/m n m","-P 4n 2n","136","","Strontium diterbium diiron(III) oxide","","- Fe2 O7 Sr Tb2 -","- Fe2 O7 Sr Tb2 -","- Fe8 O28 Sr4 Tb8 -","4","0.25","","Samaras, D; Collomb, A; Joubert, J C","Determination des structures de deux ferrite mixtes nouveaux de formule Ba La2 Fe2 O7 et Sr Tb2 Fe2 O7","Journal of Solid State Chemistry","1973","7","","337","348","10.1016/0022-4596(73)90142-4","","","","","","0.02","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008961","3.82","0.01","3.82","","8.17","0.02","90","","90","","90","","119.2","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Zirconium arsenide telluride (1/1.43/0.46)","","- As1.43 Te0.46 Zr -","- As1.425 Te0.455 Zr1.005 -","- As2.85 Te0.91 Zr2.01 -","2","0.125","","Mosset, A; Jeannin, Y","Etude cristallographique de l'arsenotellurure de zirconium quadratique","Journal of Solid State Chemistry","1973","7","","124","131","10.1016/0022-4596(73)90144-8","","","","","","0.081","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008988","3.722","0.003","3.722","","6.483","0.002","90","","90","","90","","89.8","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Manganese vanadium arsenide (1/1/1)","","- As Mn V -","- As Mn V -","- As2 Mn2 V2 -","2","0.125","","Montreuil, R; Deyris, B; Michel, A; Rouault, A; l'Heritier, P; Nylund, A; Senateur, J P; Fruchart, D","Nouveaux composes ternaires MM'P et MM'As. Interactions metalliques et structures","Materials Research Bulletin","1972","7","","813","826","10.1016/0025-5408(72)90131-6","","","","","","0.052","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1009032","4.1132","","4.1132","","4.1132","","90","","90","","90","","69.6","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Thorium boride (1/6)","","- B6 Th -","- B6 Th -","- B6 Th -","1","0.0208333","","Blum, P; Bertaut, F","Contribution a l'etude des borures a teneur elevee en bore","Acta Crystallographica (1,1948-23,1967)","1954","7","","81","86","10.1107/S0365110X54000151","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010602","2.51","","2.51","","6.69","","90","","90","","120","","36.5","","","","","","","","","","","","","2","P -6","P -6","174","","Boron nitride","","- B N -","- B N -","- B2 N2 -","2","0.333333","","Brager, A","An X-Ray Examination of the Structure of Boron Nitride","Acta Physicochimica (USSR)","1937","7","","699","706","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010789","10.03","","10.03","","10.03","","90","","90","","90","","1009","","","","","","","","","","","","","4","","","","","Decalead phosphate dichloride","Pyromorphite","- Cl2 O24 P6 Pb10 -","","","","","","Zambonini, F; Ferrari, A","Ricerche sul fosfato e sul chlorofosfato di piombo (piromorfite).","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)","1928","7","","283","291","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1100192","10.966","0.001","13.868","0.001","14.306","0.001","79.09","0.01","74.83","0.01","74.74","0.01","2008.75","","","","193","","","","","","","","","6","P -1","-P 1","2","","trans-Carbonyl-chloro-bis(2,4,6-triphenylphosphabenzene)-rhodium dichloromethane solvate","","- C47.5 H35 Cl2 O P2 Rh -","- C48 H36 Cl3 O P2 Rh -","- C96 H72 Cl6 O2 P4 Rh2 -","2","1","","Breit, Bernhard; Winde, Roland; Mackewitz, Thomas; Paciello, Rocco; Harms, Klaus","Phosphabenzenes as Monodentate π-Acceptor Ligands for Rhodium-Catalyzed Hydroformylation","Chemistry - A European Journal","2001","7","14","","3121","10.1002/1521-3765(20010716)7:14<3106::aid-chem3106>3.0.co;2-y","","","","","","","7.16","","","7.16","","","","","","","","","","","has coordinates","177554","2020-10-21","18:00:00",""
"1100220","11.0478","0.0012","28.024","0.003","7.2693","0.0007","90","","90","","90","","2250.6","","","","193","","","","","","","","","5","I b a 2","I 2 -2c","45","","(4RS,5SR,1'RS)-4-(1-Chloro-1-phenylmethyl)-5-methyl-1,3-oxazolidin-2-one","","- C11 H12 Cl N O2 -","- C11 H12 Cl N O2 -","- C88 H96 Cl8 N8 O16 -","8","1","","Bach, Thorsten; Schlummer, Björn; Harms, Klaus","Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones","Chemistry - A European Journal","2001","7","12","2581","2594","10.1002/1521-3765(20010618)7:12<2581::aid-chem25810>3.0.co;2-o","","","","","","","3.22","","","3.22","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100221","5.3339","0.0008","12.4601","0.0017","11.8203","0.0017","90","","93.864","0.017","90","","783.802","","","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(1RS,2SR,6RS)-9-Aza-2-chloro-7-oxabicyclo(4.3.0)nonan-8-one","","- C7 H10 Cl N O2 -","- C7 H10 Cl N O2 -","- C28 H40 Cl4 N4 O8 -","4","1","","Bach, Thorsten; Schlummer, Björn; Harms, Klaus","Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones","Chemistry - A European Journal","2001","7","12","2581","2594","10.1002/1521-3765(20010618)7:12<2581::aid-chem25810>3.0.co;2-o","","","","","","","3.45","","","3.45","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100222","9.9246","0.0005","6.8908","0.0003","14.1918","0.001","90","","95.692","0.004","90","","965.77","","","","213","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1RS,2RS,8SR)-2-Chloro-9-oxa-11-azabicyclo(6.3.0)undec-5-en-10-one","","- C9 H12 Cl N O2 -","- C9 H12 Cl N O2 -","- C36 H48 Cl4 N4 O8 -","4","1","","Bach, Thorsten; Schlummer, Björn; Harms, Klaus","Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones","Chemistry - A European Journal","2001","7","12","2581","2594","10.1002/1521-3765(20010618)7:12<2581::aid-chem25810>3.0.co;2-o","","","","","","","5.99","","","5.99","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100223","11.9678","0.0013","6.2949","0.0003","13.7472","0.0016","90","","113.363","0.007","90","","950.748","","","","213","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1RS,2RS,3RS)-2-Chloro-9-oxa-11-azabicyclo(6.3.0)undec-5-en-10-one","","- C9 H12 Cl N O2 -","- C9 H12 Cl N O2 -","- C36 H48 Cl4 N4 O8 -","4","1","","Bach, Thorsten; Schlummer, Björn; Harms, Klaus","Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones","Chemistry - A European Journal","2001","7","12","2581","2594","10.1002/1521-3765(20010618)7:12<2581::aid-chem25810>3.0.co;2-o","","","","","","","6.17","","","6.17","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100224","5.6138","0.001","7.0575","0.001","15.9015","0.001","96.654","0.01","95.454","0.01","109.173","0.01","585.075","","","","213","","","","","","","","","4","P -1","-P 1","2","","4-(4-n-Butyltetrahydro-3-furyl)-1,3-oxazolidin-2-one","","- C11 H19 N O3 -","- C15 H31 N O3 -","- C30 H62 N2 O6 -","2","1","","Bach, Thorsten; Schlummer, Björn; Harms, Klaus","Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones","Chemistry - A European Journal","2001","7","12","2581","2594","10.1002/1521-3765(20010618)7:12<2581::aid-chem25810>3.0.co;2-o","","","","","","","6.88","","","6.88","","","","","","","","","","","has coordinates","177553","2020-10-21","18:00:00",""
"1100225","6.9144","0.0006","9.352","0.003","19.9486","0.0011","90","","99.398","0.009","90","","1272.63","","","","213","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(Z)-4-(1-Chloro-1-phenylmethylidene)-5-propyl-1,3-oxazolidin-2-one","","- C13 H14 Cl N O2 -","- C13 H14 Cl N O2 -","- C52 H56 Cl4 N4 O8 -","4","1","","Bach, Thorsten; Schlummer, Björn; Harms, Klaus","Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones","Chemistry - A European Journal","2001","7","12","2581","2594","10.1002/1521-3765(20010618)7:12<2581::aid-chem25810>3.0.co;2-o","","","","","","","5.93","","","5.93","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100226","9.3539","0.0008","9.4338","0.0006","10.2406","0.0005","91.805","0.006","104.889","0.007","109.986","0.006","813.611","","","","213","","","","","","","","","4","P -1","-P 1","2","","(Z)-5-Cyclohexyl-4-(1-(2,2-dimethylpropylidene))-5-ethoxy-1,3-oxazolidin-2-one","","- C16 H27 N O3 -","- C16 H27 N O3 -","- C32 H54 N2 O6 -","2","1","","Bach, Thorsten; Schlummer, Björn; Harms, Klaus","Intramolecular Iron(II)-catalyzed Nitrogen Transfer Reactions of Unsaturated Alkoxycarbonyl Azides: A Facile and Stereoselective Route to 4,5-Disubstituted Oxazolidinones","Chemistry - A European Journal","2001","7","12","2581","2594","10.1002/1521-3765(20010618)7:12<2581::aid-chem25810>3.0.co;2-o","","","","","","","5.71","","","5.71","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100227","11.818","0.0015","9.9465","0.001","16.082","0.0019","90","","110.375","0.009","90","","1772.13","","","","203","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1RS,5SR,7SR)-3-Aza-2-oxo-1,5,7-trimethylbicyclo[3.3.1]-7-nonanoic acid 3-form ylphenyl ester","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C76 H92 N4 O16 -","4","1","","Bach, Thorsten; Bergmann, Hermann; Brummerhop, Harm; Lewis, Warren; Harms, Klaus","The [2+2]-Photocycloaddition of Aromatic Aldehydes and Ketones to 3,4-Dihydro-2-pyridones: Regioselectivity, Diastereoselectivity, and Reductive Ring Opening of the Product Oxetanes","Chemistry - A European Journal","2001","7","20","4512","4521","10.1002/1521-3765(20011015)7:20<4512::aid-chem4512>3.0.co;2-h","","","","","","","5.76","","","5.76","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100228","13.857","0.002","7.9815","0.0008","15.117","0.002","90","","113.252","0.015","90","","1536.14","","","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(1RS,5RS,6SR)-4-methyl-8,8-diphenyl-7-oxa-2-azabicyclo[4.2.0]octan-3-one","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Bach, Thorsten; Bergmann, Hermann; Brummerhop, Harm; Lewis, Warren; Harms, Klaus","The [2+2]-Photocycloaddition of Aromatic Aldehydes and Ketones to 3,4-Dihydro-2-pyridones: Regioselectivity, Diastereoselectivity, and Reductive Ring Opening of the Product Oxetanes","Chemistry - A European Journal","2001","7","20","4512","4521","10.1002/1521-3765(20011015)7:20<4512::aid-chem4512>3.0.co;2-h","","","","","","","3.64","","","3.64","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100229","7.699","0.0011","13.7214","0.0019","18.8308","0.0014","89.963","0.016","80.265","0.016","76.44","0.017","1904.43","","","","193","","","","","","","","","5","P -1","-P 1","2","","(1RS,6SR)-8,8-diphenyl-7-oxa-2-azabicyclo[4.2.0]octan-3-one chloroform solvate","","- C19 H18 Cl3 N O2 -","- C19 H18 Cl3 N O2 -","- C76 H72 Cl12 N4 O8 -","4","2","","Bach, Thorsten; Bergmann, Hermann; Brummerhop, Harm; Lewis, Warren; Harms, Klaus","The [2+2]-Photocycloaddition of Aromatic Aldehydes and Ketones to 3,4-Dihydro-2-pyridones: Regioselectivity, Diastereoselectivity, and Reductive Ring Opening of the Product Oxetanes","Chemistry - A European Journal","2001","7","20","4512","4521","10.1002/1521-3765(20011015)7:20<4512::aid-chem4512>3.0.co;2-h","","","","","","","5.79","","","5.79","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1101067","12.5","0.05","5.01","0.02","12.16","0.04","90","","109","","90","","720.031","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H11 N3 O3 -","- C4 H11 N3 O3 -","- C16 H44 N12 O12 -","4","1","","Mendel, H.; Hodgkin, D. C.","The crystal structure of creatine monohydrate","Acta Crystallographica","1954","7","5","443","446","10.1107/S0365110X54001326","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:42",""
"1101079","4.9038","0.0005","23.481","0.003","15.392","0.002","90","","90.14","0.01","90","","1772.3","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Na6 O19 Si8 -","- Na6 O19 Si8 -","- Na24 O76 Si32 -","4","1","","Kruger, Hannes; Kahlenberg, Volker; Kaindl, R.","Structural studies on Na6Si8O19 - a monophyllosilicate with a new type of layered silicate anion","Solid State Sciences","2005","7","","1390","1396","10.1016/j.solidstatesciences.2005.08.002","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501653","13.0342","0.001","12.2529","0.0012","13.7875","0.0011","90","","97.983","0.009","90","","2180.6","0.3","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,4-diaminoanthraquinone","","- C14 H10 N2 O2 -","- C14 H10 N2 O2 -","- C112 H80 N16 O16 -","8","1","","Jacquemin, Denis; Brémond, Eric; Planchat, Aurélien; Ciofini, Ilaria; Adamo, Carlo","TD-DFT Vibronic Couplings in Anthraquinones: From Basis Set and Functional Benchmarks to Applications for Industrial Dyes","Journal of Chemical Theory and Computation","2011","7","6","1882","","10.1021/ct200259k","","","0.71069","MoKα","","0.1372","0.0741","","","0.135","0.1665","","","","2.02","2.02","1.93","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1505215","4.6757","0.0009","8.502","0.0016","19.718","0.005","85.993","0.009","88.432","0.008","82.788","0.013","775.6","0.3","130","2","130","2","","","","","","","","4","P -1","-P 1","2","Alexf002","Alex002","","- C40 H42 N2 O4 -","- C40 H42 N2 O4 -","- C40 H42 N2 O4 -","1","0.5","","Briseno, Alejandro L.; Mannsfeld, Stefan C. B.; Reese, Colin; Hancock, Jessica M.; Xiong, Yujie; Jenekhe, Samson A.; Bao, Zhenan; Xia, Younan","Perylenediimide nanowires and their use in fabricating field-effect transistors and complementary inverters.","Nano letters","2007","7","9","2847","2853","10.1021/nl071495u","","","0.71073","MoKα","","0.3145","0.091","","","0.1549","0.2247","","","","","","0.93","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1505674","4.95","0.001","5.1931","0.0009","33.2","0.007","91.997","0.01","92.826","0.011","90.042","0.013","851.9","0.3","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H21 N O6 -","- C17 H21 N O6 -","- C34 H42 N2 O12 -","2","2","","Gerhardt, Warren W.; Noga, David E.; Hardcastle, Kenneth I.; García, Andrés J; Collard, David M.; Weck, Marcus","Functional lactide monomers: methodology and polymerization.","Biomacromolecules","2006","7","6","1735","1742","10.1021/bm060024j","","","1.54178","CuKα","","0.0856","0.0775","","","0.1973","0.2059","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505675","8.9778","0.0008","5.9703","0.0008","12.6038","0.0013","90","","107.981","0.005","90","","642.57","0.12","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H14 O5 -","- C13 H14 O5 -","- C26 H28 O10 -","2","1","","Gerhardt, Warren W.; Noga, David E.; Hardcastle, Kenneth I.; García, Andrés J; Collard, David M.; Weck, Marcus","Functional lactide monomers: methodology and polymerization.","Biomacromolecules","2006","7","6","1735","1742","10.1021/bm060024j","","","1.54178","CuKα","","0.0434","0.0363","","","0.0633","0.0659","","","","","","1.023","","","","has coordinates","301775","2025-08-18","14:03:02",""
"1506336","9.9752","0.0011","10.434","0.0012","11.2679","0.0013","90.172","0.003","109.741","0.002","109.322","0.002","1032.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-(3-Butyl-2,5-diphenyl-3H-imidazol-4-yl)pyridine","","- C25 H26 N2 O -","- C25 H26 N2 O -","- C50 H52 N4 O2 -","2","1","","Li, Weiwei; Lam, Yulin","A Facile Solid-Phase Synthesis of 1,2,4,5-Tetrasubstituted Imidazoles Using Sodium Benzenesulfinate as a Traceless Linker","Journal of Combinatorial Chemistry","2005","7","5","644","","10.1021/cc049818x","","","0.71073","MoKα","","0.134","0.0782","","","0.2027","0.2329","","","","","","1.038","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506337","8.7569","0.0006","12.5075","0.0008","12.7422","0.0008","74.569","0.001","86.623","0.001","81.9","0.001","1331.55","0.15","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Phenyl-5-(pyridin-4-yl)-1H-imidazol-1-yl)ethanol","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C64 H60 N12 O4 -","4","2","","Li, Weiwei; Lam, Yulin","A Facile Solid-Phase Synthesis of 1,2,4,5-Tetrasubstituted Imidazoles Using Sodium Benzenesulfinate as a Traceless Linker","Journal of Combinatorial Chemistry","2005","7","5","644","","10.1021/cc049818x","","","0.71073","MoKα","","0.0745","0.0537","","","0.1368","0.1527","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506338","8.8589","0.0009","9.5619","0.0009","11.5289","0.0011","111.301","0.002","90.111","0.002","115.935","0.002","803.03","0.14","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","N-(2-oxo-1-phenyl-2-pyridin-4-yl-ethyl)benzamide","","- C20 H20 N2 O -","- C20 H16 N2 O2 -","- C40 H32 N4 O4 -","2","1","","Li, Weiwei; Lam, Yulin","A Facile Solid-Phase Synthesis of 1,2,4,5-Tetrasubstituted Imidazoles Using Sodium Benzenesulfinate as a Traceless Linker","Journal of Combinatorial Chemistry","2005","7","5","644","","10.1021/cc049818x","","","0.71073","MoKα","","0.0961","0.0572","","","0.1219","0.1366","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506339","7.706","0.002","10.338","0.003","12.191","0.003","109.742","0.004","95.779","0.005","111.614","0.005","821.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 N2 O2 S -","- C19 H16 N2 O2 S -","- C38 H32 N4 O4 S2 -","2","1","","Le Bas, Marie-Delphine H.; McKinley, Neola F.; Hogan, Anne-Marie L.; O'Shea, Donal F.","Imidazo[5,1-b]thiazol-3-ones/thiazin-4-ones: Synthesis and Reactivity Investigation for Library Generation","Journal of Combinatorial Chemistry","2005","7","4","503","","10.1021/cc050001t","","","0.71073","MoKα","","0.0737","0.0458","","","0.1135","0.1219","","","","","","0.982","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506340","17.164","0.003","8.4372","0.0014","13.333","0.002","90","","99.752","0.004","90","","1902.9","0.5","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-Benzyl-1-heptyl-1,7-dihydro-purin-6-one","","- C19 H26 N4 O2 -","- C19 H26 N4 O2 -","- C76 H104 N16 O8 -","4","1","","Fu, Han; Lam, Yulin","Traceless Solid-Phase Synthesis of N1,N7-Disubstituted Purines","Journal of Combinatorial Chemistry","2005","7","5","734","","10.1021/cc050058f","","","0.71073","MoKα","","0.0591","0.0465","","","0.1256","0.1345","","","","","","1.045","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506341","11.841","0.012","13.069","0.013","13.905","0.014","74.71","0.02","78.79","0.02","86.66","0.02","2036","4","298","2","273","2","","","","","","","","5","P -1","-P 1","2","","3-(1,7-dibutyl-6-oxo-1,6-dihydro-purin-9-yl)-propionic acid methyl ester salt","","- C17 H27 Br N4 O3 -","- C17 H27 Br N4 O3 -","- C68 H108 Br4 N16 O12 -","4","2","","Fu, Han; Lam, Yulin","Traceless Solid-Phase Synthesis of N1,N7-Disubstituted Purines","Journal of Combinatorial Chemistry","2005","7","5","734","","10.1021/cc050058f","","","0.71073","MoKα","","0.0962","0.0786","","","0.2523","0.2737","","","","","","1.095","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506445","10.5953","0.0006","11.4554","0.0006","11.5796","0.0007","90","","108.903","0.001","90","","1329.66","0.13","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","19_in_paper?","","","- C24 H40 Br4 O2 -","- C24 H40 Br4 O2 -","- C48 H80 Br8 O4 -","2","0.5","","Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank","Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity.","Organic letters","2005","7","5","917","920","10.1021/ol047317e","","","0.71073","MoKα","","0.0266","0.022","","","0.0525","0.0552","","","","","","1.095","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506446","40.0257","0.0006","7.4849","0.0002","15.0438","0.0003","90","","100.68","","90","","4428.88","0.16","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","6alpha_in_paper","","","- C24 H36 O2 -","- C24 H36 O2 -","- C192 H288 O16 -","8","2","","Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank","Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity.","Organic letters","2005","7","5","917","920","10.1021/ol047317e","","","0.71073","MoKα","","0.1071","0.0636","","","0.1565","0.1811","","","","","","1.079","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506447","15.0286","0.0003","7.485","0.0002","39.3182","0.0008","90","","90","","90","","4422.87","0.17","200","2","200","2","","","","","","","","3","P n a 21","P 2c -2n","33","6beta_in_paper","","","- C24 H36 O2 -","- C24 H36 O2 -","- C192 H288 O16 -","8","2","","Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank","Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity.","Organic letters","2005","7","5","917","920","10.1021/ol047317e","","","0.71073","MoKα","","0.0419","0.0341","","","0.0825","0.0877","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506448","9.0844","0.0003","11.8406","0.0003","9.8502","0.0003","90","","113.063","0.001","90","","974.85","0.05","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","7alpha_in_paper","","","- C16 H20 S6 -","- C16 H20 S6 -","- C32 H40 S12 -","2","0.5","","Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank","Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity.","Organic letters","2005","7","5","917","920","10.1021/ol047317e","","","0.71073","MoKα","","0.0471","0.0313","","","0.0736","0.0794","","","","","","1.065","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506449","9.4288","0.0003","10.8171","0.0003","11.4266","0.0004","107.53","0.001","113.144","0.001","98.332","0.001","974.7","0.06","200","2","200","2","","","","","","","","3","P -1","-P 1","2","7beta_in_paper","","","- C16 H20 S6 -","- C16 H20 S6 -","- C32 H40 S12 -","2","1","","Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank","Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity.","Organic letters","2005","7","5","917","920","10.1021/ol047317e","","","0.71073","MoKα","","0.0462","0.0339","","","0.0823","0.0886","","","","","","1.037","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506450","10.2496","0.0011","6.7971","0.0007","10.6545","0.0011","90","","90","","90","","742.27","0.13","200","2","200","2","","","","","","","","3","P n m a","-P 2ac 2n","62","22_in_paper","","","- C5 H6 S3 -","- C5 H6 S3 -","- C20 H24 S12 -","4","0.5","","Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank","Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity.","Organic letters","2005","7","5","917","920","10.1021/ol047317e","","","0.71073","MoKα","","0.0392","0.0244","","","0.0536","0.058","","","","","","1.121","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506451","17.2213","0.0007","7.005","0.0003","11.4894","0.0005","90","","90","","90","","1386.03","0.1","200","2","200","2","","","","","","","","5","P n m a","-P 2ac 2n","62","23alpha_in_paper","","","- C7 H11 Cl2 I S3 -","- C7 H10.608 Cl1.998 I S3 -","- C28 H42.432 Cl7.992 I4 S12 -","4","0.5","","Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank","Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity.","Organic letters","2005","7","5","917","920","10.1021/ol047317e","","","0.71073","MoKα","","0.0479","0.0301","","","0.0596","0.0649","","","","","","1.058","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506452","6.5122","0.0004","7.7517","0.0005","11.2286","0.0008","74.596","0.002","83.282","0.002","74.962","0.002","527.05","0.06","200","2","200","2","","","","","","","","4","P -1","-P 1","2","23beta_in_paper","","","- C6 H9 I S3 -","- C6 H9 I S3 -","- C12 H18 I2 S6 -","2","1","","Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank","Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity.","Organic letters","2005","7","5","917","920","10.1021/ol047317e","","","0.71073","MoKα","","0.0445","0.0288","","","0.0501","0.0539","","","","","","1.005","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506453","9.6693","0.0005","14.1562","0.0003","10.6917","0.0005","90","","104.057","0.002","90","","1419.66","0.1","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","24_in_paper","","","- C6 H9 I3 S3 -","- C6 H9 I3 S3 -","- C24 H36 I12 S12 -","4","1","","Werz, Daniel B.; Schuster, Andreea; Gleiter, Rolf; Rominger, Frank","Sterically stabilized cyclopropenonophanes and an electronically stabilized cyclopropenethionophane: syntheses, structural properties, and reactivity.","Organic letters","2005","7","5","917","920","10.1021/ol047317e","","","0.71073","MoKα","","0.0516","0.0331","","","0.0813","0.0878","","","","","","1.129","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506454","9.2385","0.0002","12.0517","0.0003","16.415","0.0005","90","","90","","90","","1827.64","0.08","173","","173","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 F6 N2 P Ru -","- C16 H17 F6 N2 P Ru -","- C64 H68 F24 N8 P4 Ru4 -","4","1","","Sortais, Jean-Baptiste; Ritleng, Vincent; Voelklin, Adeline; Holuigue, Alexandre; Smail, Hakima; Barloy, Laurent; Sirlin, Claude; Verzijl, Gerard K. M.; Boogers, Jeroen A. F.; de Vries, André H M; de Vries, Johannes G.; Pfeffer, Michel","Cycloruthenated primary and secondary amines as efficient catalyst precursors for asymmetric transfer hydrogenation.","Organic letters","2005","7","7","1247","1250","10.1021/ol047353d","","","0.71073","Mo-Kα","","0.071","0.036","","0.123","","0.044","","","3.376","","","1.066","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1506455","19.327","0.009","19.327","0.009","9.814","0.006","90","","90","","90","","3666","3","293","2","293","2","","","","","","","","3","I 4","I 4","79","","","","- C20 H22 O6 -","- C20 H22 O6 -","- C160 H176 O48 -","8","1","","Saouf, Abderrahmane; Guerra, Francisco M.; Rubal, Juan J.; Moreno-Dorado, F Javier; Akssira, Mohamed; Mellouki, Fouad; López, Matías; Pujadas, Antonio J.; Jorge, Zacarías D; Massanet, Guillermo M.","Transtaganolides A-D: novel metabolites from Thapsia transtagana.","Organic letters","2005","7","5","881","884","10.1021/ol047421w","","","0.71073","MoKα","","0.0741","0.0575","","","0.1348","0.1435","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506456","10.052","0.004","10.322","0.004","17.378","0.009","90","","90","","90","","1803.1","1.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O6 -","- C20 H22 O6 -","- C80 H88 O24 -","4","1","","Saouf, Abderrahmane; Guerra, Francisco M.; Rubal, Juan J.; Moreno-Dorado, F Javier; Akssira, Mohamed; Mellouki, Fouad; López, Matías; Pujadas, Antonio J.; Jorge, Zacarías D; Massanet, Guillermo M.","Transtaganolides A-D: novel metabolites from Thapsia transtagana.","Organic letters","2005","7","5","881","884","10.1021/ol047421w","","","0.71073","MoKα","","0.0605","0.0553","","","0.1338","0.1377","","","","","","1.139","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506457","10.373","","10.925","","14.066","","83.18","","70.88","","78.91","","1475.3","","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C32 H38 N2 O8 -","- C32 H38 N2 O8 -","- C64 H76 N4 O16 -","2","1","","Frontera, Antonio; Orell, Maria; Garau, Carolina; Quiñonero, David; Molins, Elies; Mata, Ignasi; Morey, Jeroni","Preparation, solid-state characterization, and computational study of a crown ether attached to a squaramide.","Organic letters","2005","7","8","1437","1440","10.1021/ol0474608","","x-ray","0.71073","MoKα","","0.2549","0.0492","","","0.1173","0.1673","","","","","","0.924","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506458","7.574","0.006","27.38","0.02","15.555","0.014","90","","104.028","0.014","90","","3130","4","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Cyclo-bis(3-glycolyloxycholate)","","- C52 H80 O12 -","- C52 H79 O12 -","- C104 H158 O24 -","2","1","","Ghosh, Sanjib; Choudhury, Angshuman Roy; Guru Row, Tayur N.; Maitra, Uday","Selective and unusual fluoride ion complexation by a steroidal receptor using OH...F- and CH...F- interactions: a new motif for anion coordination?","Organic letters","2005","7","8","1441","1444","10.1021/ol047462s","","","0.71073","MoKα","","0.087","0.0693","","","0.2081","0.2198","","","","","","1.086","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506459","11.529","0.01","16.683","0.014","12.782","0.011","90","","98.895","0.015","90","","2429","4","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Cyclo-bis(3-glycolyloxycholate)","","- C52 H80 O12 -","- C52 H79 O12 -","- C104 H158 O24 -","2","1","","Ghosh, Sanjib; Choudhury, Angshuman Roy; Guru Row, Tayur N.; Maitra, Uday","Selective and unusual fluoride ion complexation by a steroidal receptor using OH...F- and CH...F- interactions: a new motif for anion coordination?","Organic letters","2005","7","8","1441","1444","10.1021/ol047462s","","","0.71073","MoKα","","0.1313","0.0818","","","0.2119","0.2331","","","","","","1.022","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506460","9.0221","0.0009","12.5961","0.0012","16.13","0.0016","83.714","0.002","79.252","0.002","84.161","0.002","1783.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H22 N2 O6 -","- C17 H22 N2 O6 -","- C68 H88 N8 O24 -","4","2","","Otte, Ryan D.; Sakata, Tomoyo; Guzei, Ilia A.; Lee, Daesung","Reactivity of Mitsunobu reagent toward carbonyl compounds.","Organic letters","2005","7","3","495","498","10.1021/ol0475008","","","0.71073","MoKα","","0.0566","0.0483","","","0.1203","0.1258","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506461","11.35","0.001","11.4769","0.001","14.7702","0.0013","90","","90","","90","","1924","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 N2 O6 -","- C18 H28 N2 O6 -","- C72 H112 N8 O24 -","4","1","","Otte, Ryan D.; Sakata, Tomoyo; Guzei, Ilia A.; Lee, Daesung","Reactivity of Mitsunobu reagent toward carbonyl compounds.","Organic letters","2005","7","3","495","498","10.1021/ol0475008","","","0.71073","MoKα","","0.0642","0.0632","","","0.1768","0.178","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506462","8.1348","0.001","13.1474","0.0017","20.118","0.003","101.643","0.002","99.396","0.002","98.559","0.002","2042","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","04236c","","","- C40 H20 F24 -","- C40 H20 F24 -","- C80 H40 F48 -","2","1","","Liu, Jin; Wendt, Natalie L.; Boarman, Kelly J.","Trifluoromethyl groups in crystal design of 1,4-diphenyl-1,3-butadienes for topochemical [2 + 2] photodimerization.","Organic letters","2005","7","6","1007","1010","10.1021/ol0475111","","","0.71073","MoKα","","0.066","0.0489","","","0.1357","0.1464","","","","","","1.051","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506463","4.8166","0.0012","11.259","0.003","16.773","0.004","90","","94.405","0.004","90","","906.9","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","04237b","","","- C20 H10 F12 -","- C20 H10 F12 -","- C40 H20 F24 -","2","0.5","","Liu, Jin; Wendt, Natalie L.; Boarman, Kelly J.","Trifluoromethyl groups in crystal design of 1,4-diphenyl-1,3-butadienes for topochemical [2 + 2] photodimerization.","Organic letters","2005","7","6","1007","1010","10.1021/ol0475111","","","0.71073","MoKα","","0.0545","0.0445","","","0.1222","0.1325","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506464","7.9641","0.0008","11.8791","0.0012","16.6095","0.0017","92.391","0.002","99.039","0.002","94.984","0.002","1543.5","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","04255a","","","- C36 H20 F16 -","- C36 H20 F16 -","- C72 H40 F32 -","2","1","","Liu, Jin; Wendt, Natalie L.; Boarman, Kelly J.","Trifluoromethyl groups in crystal design of 1,4-diphenyl-1,3-butadienes for topochemical [2 + 2] photodimerization.","Organic letters","2005","7","6","1007","1010","10.1021/ol0475111","","","0.71073","MoKα","","0.0602","0.0387","","","0.0915","0.1029","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506465","4.7834","0.0009","7.7026","0.0015","11.29","0.002","104.706","0.002","97.67","0.002","104.072","0.002","381.74","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","04256a","","","- C18 H10 F8 -","- C18 H10 F8 -","- C18 H10 F8 -","1","0.5","","Liu, Jin; Wendt, Natalie L.; Boarman, Kelly J.","Trifluoromethyl groups in crystal design of 1,4-diphenyl-1,3-butadienes for topochemical [2 + 2] photodimerization.","Organic letters","2005","7","6","1007","1010","10.1021/ol0475111","","","0.71073","MoKα","","0.0438","0.0351","","","0.0904","0.0966","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506466","6.4992","0.0001","14.9706","0.0004","34.8326","0.0006","90","","90","","90","","3389.1","0.12","150","","","","","","","","","","Local laboratory","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N O4 S -","- C19 H17 N O4 S -","- C152 H136 N8 O32 S8 -","8","2","","Pemberton, Nils; Emtenäs, Hans; Boström, Dan; Domaille, Peter J.; Greenberg, William A.; Levin, Michael D.; Zhu, Zuolin; Almqvist, Fredrik","Cycloaddition of delta2-thiazolines and acyl ketenes under acidic conditions results in bicyclic 1,3-oxazinones and not 6-acylpenams as earlier reported.","Organic letters","2005","7","6","1019","1021","10.1021/ol047528j","","","0.71073","MoKα","","0.0665","0.0567","","","0.1444","0.1601","","","","","","1.198","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506467","7.488","0.001","8.724","0.001","11.424","0.002","98.55","0.01","103","0.01","105.39","0.01","683.61","0.18","103.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C34 H30 N2 O6 -","2","1","","Ishikawa, Teruhiko; Miyahara, Tadashi; Asakura, Mami; Higuchi, Shuichi; Miyauchi, Yayoi; Saito, Seiki","One-pot multistep synthesis of 4-acetoxy-2-amino-3-arylbenzofurans from 1-aryl-2-nitroethylenes and cyclohexane-1,3-diones.","Organic letters","2005","7","7","1211","1214","10.1021/ol047540b","","","1.5419","CuKα","","","0.068","","","","0.067","","","","","","12.989","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506468","7.57","0.02","9.27","0.02","11.24","0.03","107.1","0.1","102","0.1","99.6","0.1","715","3","296.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O4 -","- C17 H15 N O4 -","- C34 H30 N2 O8 -","2","1","","Ishikawa, Teruhiko; Miyahara, Tadashi; Asakura, Mami; Higuchi, Shuichi; Miyauchi, Yayoi; Saito, Seiki","One-pot multistep synthesis of 4-acetoxy-2-amino-3-arylbenzofurans from 1-aryl-2-nitroethylenes and cyclohexane-1,3-diones.","Organic letters","2005","7","7","1211","1214","10.1021/ol047540b","","","1.5419","CuKα","","","0.039","","","","0.037","","","","","","1.812","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506469","9.0452","0.0012","10.6117","0.0018","11.2674","0.0018","67.639","0.012","79.657","0.013","84.959","0.013","983.7","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H20 O4 -","- C24 H20 O4 -","- C48 H40 O8 -","2","1","","Xi, Chanjuan; Chen, Chao; Lin, Jie; Hong, Xiaoyin","Pd-catalyzed one-pot multicomponent coupling reaction for the highly regioselective synthesis of polysubstituted benzenes.","Organic letters","2005","7","2","347","349","10.1021/ol047553p","","","0.71073","MoKα","","0.0574","0.0415","","","0.0808","0.0893","","","","","","1.034","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506470","8.5238","0.0005","15.83","0.002","16.8","0.002","90.003","0.003","90.0048","0.0009","90.098","0.001","2266.9","0.4","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H27 N O3 S -","- C25 H27 N O3 S -","- C100 H108 N4 O12 S4 -","4","2","","Shimizu, Masamichi; Kimura, Masanari; Watanabe, Toshiya; Tamaru, Yoshinao","Palladium-catalyzed allylation of imines with allyl alcohols.","Organic letters","2005","7","4","637","640","10.1021/ol047609f","","","0.7107","MoKα","","","0.0472","","","","0.1212","","","","","","0.886","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506471","9.86","0.004","12.3513","0.0018","13.171","0.002","100.789","0.013","103.509","0.019","103.5","0.02","1466.1","0.7","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H37 N3 O9 -","- C31 H37 N3 O9 -","- C62 H74 N6 O18 -","2","1","","Rudzevich, Yuliya; Rudzevich, Valentyn; Schollmeyer, Dieter; Thondorf, Iris; Böhmer, Volker","Hydrogen bonded dimers of triurea derivatives of triphenylmethanes.","Organic letters","2005","7","4","613","616","10.1021/ol0476265","","","1.54178","CuKα","","0.0814","0.0757","","","0.1977","0.205","","","","","","1.059","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506472","8.792","0.004","14.257","0.007","19.081","0.009","90","","95.562","0.01","90","","2380.5","1.9","110","2","110","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 -","- C36 H26 -","- C144 H104 -","4","1","","Wang, Huadong; Gabbaï, François P","Synthesis and reactivity of a chlorinated 1,8-bis(diarylmethylium)naphthalenediyl dication.","Organic letters","2005","7","2","283","285","10.1021/ol0477071","","","0.71073","MoKα","","0.0701","0.0409","","","0.066","0.071","","","","","","0.961","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506473","12.311","0.002","18.239","0.003","13.189","0.002","90","","110.616","0.002","90","","2771.8","0.8","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H22 Cl4 -","- C36 H22 Cl4 -","- C144 H88 Cl16 -","4","1","","Wang, Huadong; Gabbaï, François P","Synthesis and reactivity of a chlorinated 1,8-bis(diarylmethylium)naphthalenediyl dication.","Organic letters","2005","7","2","283","285","10.1021/ol0477071","","","0.71073","MoKα","","0.0546","0.0498","","","0.141","0.1479","","","","","","1.002","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506474","12.1408","0.0019","18.163","0.003","13.577","0.002","90","","107.848","0.003","90","","2849.8","0.8","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C36 H21 Cl5 -","- C36 H21 Cl5 -","- C144 H84 Cl20 -","4","1","","Wang, Huadong; Gabbaï, François P","Synthesis and reactivity of a chlorinated 1,8-bis(diarylmethylium)naphthalenediyl dication.","Organic letters","2005","7","2","283","285","10.1021/ol0477071","","","0.71073","MoKα","","0.0786","0.0472","","","0.101","0.1097","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506475","16.92","0.001","6.444","0.001","11.27","0.001","90","","92.45","0.01","90","","1227.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H12 Br2 O2 -","- C13 H12 Br2 O2 -","- C52 H48 Br8 O8 -","4","1","","Pelphrey, Phillip; Jasinski, Jerry; Butcher, Ray J.; Wright, Dennis L.","Oxabicyclo[3.2.1]octane derivatives as highly reactive dienophiles: synthesis of bicyclo[5.n.0] systems.","Organic letters","2005","7","3","423","425","10.1021/ol047725i","","","0.71073","MoKα","","0.062","0.0596","","","0.1672","0.17","","","","","","1.083","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506476","10.3322","0.0004","11.1219","0.0006","19.0191","0.0011","90","","90","","90","","2185.56","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H8 Br2 O3 -","- C11 H8 Br2 O3 -","- C88 H64 Br16 O24 -","8","1","","Pelphrey, Phillip; Jasinski, Jerry; Butcher, Ray J.; Wright, Dennis L.","Oxabicyclo[3.2.1]octane derivatives as highly reactive dienophiles: synthesis of bicyclo[5.n.0] systems.","Organic letters","2005","7","3","423","425","10.1021/ol047725i","","","1.54178","CuKα","","0.0627","0.0576","","","0.1643","0.1722","","","","","","1.071","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506477","8.2559","0.0005","6.0132","0.0004","38.196","0.003","90","","93.358","0.002","90","","1893","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N4 O4 -","- C20 H22 N4 O4 -","- C80 H88 N16 O16 -","4","1","","Hong, Bor-Cherng; Chen, Fon-Len; Chen, Shang-Hung; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Intramolecular Diels-Alder cycloadditions of fulvenes. Application to the kigelinol, neoamphilectane, and kempane skeletons.","Organic letters","2005","7","4","557","560","10.1021/ol047730m","","","0.71073","MoKα","","0.1305","0.0911","","","0.1978","0.2241","","","","","","1.193","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506478","9.795","0.001","12.533","0.002","15.01","0.002","90","","106.89","0.01","90","","1763.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N4 O4 -","- C19 H19 N4 O4 -","- C76 H76 N16 O16 -","4","1","","Hong, Bor-Cherng; Chen, Fon-Len; Chen, Shang-Hung; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Intramolecular Diels-Alder cycloadditions of fulvenes. Application to the kigelinol, neoamphilectane, and kempane skeletons.","Organic letters","2005","7","4","557","560","10.1021/ol047730m","","","0.71073","MoKα","","0.121","0.0719","","","0.1887","0.2275","","","","","","0.94","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506479","11.6349","0.0011","9.5265","0.0008","14.2117","0.0012","90","","112.492","0.002","90","","1455.4","0.2","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 O2 -","- C17 H22 O2 -","- C68 H88 O8 -","4","1","","Hong, Bor-Cherng; Chen, Fon-Len; Chen, Shang-Hung; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Intramolecular Diels-Alder cycloadditions of fulvenes. Application to the kigelinol, neoamphilectane, and kempane skeletons.","Organic letters","2005","7","4","557","560","10.1021/ol047730m","","","0.71073","MoKα","","0.114","0.0718","","","0.1781","0.2077","","","","","","1","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506480","10.24","0.0007","9.3818","0.0007","21.2499","0.0015","90","","97.066","0.001","90","","2026","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O6 S -","- C20 H23 N O6 S -","- C80 H92 N4 O24 S4 -","4","1","","Bendikov, Michael; Duong, Hieu M.; Bolanos, Eduardo; Wudl, Fred","An unexpected two-group migration involving a sulfonynamide to nitrile rearrangement. Mechanistic studies of a thermal N –> C tosyl rearrangement.","Organic letters","2005","7","5","783","786","10.1021/ol0477327","","","0.71073","MoKα","","0.0465","0.0348","","","0.0874","0.0929","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506481","17.026","0.003","8.4434","0.0014","14.299","0.002","90","","104.242","0.003","90","","1992.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O5 S -","- C20 H21 N O5 S -","- C80 H84 N4 O20 S4 -","4","1","","Bendikov, Michael; Duong, Hieu M.; Bolanos, Eduardo; Wudl, Fred","An unexpected two-group migration involving a sulfonynamide to nitrile rearrangement. Mechanistic studies of a thermal N –> C tosyl rearrangement.","Organic letters","2005","7","5","783","786","10.1021/ol0477327","","","0.71073","MoKα","","0.1371","0.0429","","","0.0874","0.1082","","","","","","0.821","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506482","7.8726","0.0013","8.0401","0.0013","17.08","0.003","82.933","0.003","81.248","0.003","69.356","0.003","997.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 N O5 S -","- C20 H21 N O5 S -","- C40 H42 N2 O10 S2 -","2","1","","Bendikov, Michael; Duong, Hieu M.; Bolanos, Eduardo; Wudl, Fred","An unexpected two-group migration involving a sulfonynamide to nitrile rearrangement. Mechanistic studies of a thermal N –> C tosyl rearrangement.","Organic letters","2005","7","5","783","786","10.1021/ol0477327","","","0.71073","MoKα","","0.0782","0.0456","","","0.1175","0.1411","","","","","","1.006","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506483","12.0167","0.0016","13.6419","0.0019","29.948","0.004","90","","90","","90","","4909.4","1.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 O3 -","- C27 H40 O3 -","- C216 H320 O24 -","8","2","","Zhang, Guang-Wen; Ma, Xiang-Quan; Kurihara, Hiroshi; Zhang, Cui-Xian; Yao, Xin-Sheng; Su, Jing-Yu; Zeng, Long-Mei","New hemiketal steroid from the soft coral Cladiella sp.","Organic letters","2005","7","6","991","994","10.1021/ol0477475","","","0.71073","MoKα","","0.057","0.0456","","","0.12","0.1299","","","","","","1.035","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506484","9.8972","0.0004","12.4672","0.0005","21.6365","0.0008","90","","90","","90","","2669.74","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 N2 O3 -","- C31 H30 N2 O3 -","- C124 H120 N8 O12 -","4","1","","Wipf, Peter; Xiao, Jingbo","Convergent approach to (E)-alkene and cyclopropane peptide isosteres.","Organic letters","2005","7","1","103","106","10.1021/ol0477529","","","0.71073","MoKα","","0.1328","0.0935","","","0.1546","0.169","","","","","","1.134","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506485","11.1945","0.0016","9.697","0.0015","26.431","0.004","90","","94.007","0.004","90","","2862.2","0.7","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H36 N3 O5 -","- C31 H36 N3 O5 -","- C124 H144 N12 O20 -","4","2","","Wipf, Peter; Xiao, Jingbo","Convergent approach to (E)-alkene and cyclopropane peptide isosteres.","Organic letters","2005","7","1","103","106","10.1021/ol0477529","","","0.71073","MoKα","","0.3045","0.1006","","","0.1723","0.2372","","","","","","0.758","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506486","14.434","0.006","16.772","0.007","15.101","0.006","90","","104.301","0.007","90","","3542","3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H38 N2 O5 Si -","- C35 H38 N2 O5 Si -","- C140 H152 N8 O20 Si4 -","4","1","","Wipf, Peter; Xiao, Jingbo","Convergent approach to (E)-alkene and cyclopropane peptide isosteres.","Organic letters","2005","7","1","103","106","10.1021/ol0477529","","","0.71073","MoKα","","0.1063","0.0654","","","0.1461","0.1632","","","","","","1.103","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506487","8.2041","0.0007","8.0433","0.0007","12.2666","0.001","90","","102.129","0.001","90","","791.38","0.12","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N O2 S -","- C8 H7 N O2 S -","- C32 H28 N4 O8 S4 -","4","1","","Harmata, Michael; Rayanil, Kanok-On; Gomes, Maria G.; Zheng, Pinguan; Calkins, Nathan L.; Kim, Soo-Yeun; Fan, Yimin; Bumbu, Valentina; Lee, Dong Reyoul; Wacharasindhu, Sumrit; Hong, Xuechuan","New synthesis of benzothiazines and benzoisothiazoles containing a sulfoximine functional group.","Organic letters","2005","7","1","143","145","10.1021/ol047781j","","","0.71073","MoKα","","0.0426","0.0354","","","0.0884","0.0923","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506488","15.8947","0.0012","7.1605","0.0006","17.1209","0.0013","90","","100.848","0.002","90","","1913.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N5 O3 -","- C20 H19 N5 O3 -","- C80 H76 N20 O12 -","4","1","","Cardillo, Giuliana; Fabbroni, Serena; Gentilucci, Luca; Perciaccante, Rossana; Piccinelli, Fabio; Tolomelli, Alessandra","Highly diastereoselective allylic azide formation and isomerization. Synthesis of 3(2'-amino)-beta-lactams.","Organic letters","2005","7","4","533","536","10.1021/ol047815n","","","0.71073","MoKα","","0.0676","0.0435","","","0.1143","0.1297","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506489","7.338","0.007","15.567","0.017","23.86","0.02","90","","90","","90","","2726","5","","","295","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C120 H160 O24 -","8","1","","Jeffery, David W.; Perkins, Michael V.; White, Jonathan M.","Synthesis of an analogue of the marine polypropionate tridachiahydropyrone.","Organic letters","2005","7","3","407","409","10.1021/ol0478178","","","0.71073","MoKα","","0.2614","0.1136","","","0.2152","0.2849","","","","","","0.93","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506490","7.638","0.0011","8.2565","0.0012","11.3453","0.0016","90","","95.765","0.003","90","","711.85","0.18","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C30 H40 O6 -","2","1","","Jeffery, David W.; Perkins, Michael V.; White, Jonathan M.","Synthesis of an analogue of the marine polypropionate tridachiahydropyrone.","Organic letters","2005","7","3","407","409","10.1021/ol0478178","","","0.71073","MoKα","","0.062","0.0532","","","0.1324","0.138","","","","","","0.975","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506491","8.2443","0.0005","16.1149","0.0007","15.7912","0.0007","90","","90","","90","","2097.96","0.18","148","","148","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3R)-3-Methyl-N-[(((1R,2S)-2-(1-methyl-1-phenylethyl)cyclohexyl)oxy)carbonyl) -2,3-dihydro-isoindol-1-one","","- C25 H29 N O3 -","- C25 H29 N O3 -","- C100 H116 N4 O12 -","4","1","","Comins, Daniel L.; Schilling, Stefan; Zhang, Yanchen","Asymmetric synthesis of 3-substituted isoindolinones: application to the total synthesis of (+)-lennoxamine.","Organic letters","2005","7","1","95","98","10.1021/ol047824w","","","0.71073","MolybdenumKα","","0.031","0.031","","0.033","","0.033","","","","","","1.26","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506492","7.9727","0.0008","12.991","0.0013","15.0747","0.0015","90","","90","","90","","1561.3","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 Br O3 -","- C13 H19 Br O3 -","- C52 H76 Br4 O12 -","4","1","","Vaz, Belén; Alvarez, Rosana; Brückner, Reinhard; de Lera, Angel R.","The Stille reaction in the synthesis of carotenoid butenolides: synthesis of 6'-epi-peridinin.","Organic letters","2005","7","4","545","548","10.1021/ol0478281","","","0.71073","MoKα","","0.1335","0.0463","","","0.1053","0.1223","","","","","","0.783","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506493","10.2154","0.0008","21.8191","0.0017","11.5734","0.0009","90","","106.447","0.002","90","","2474.1","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H29 N O5 S2 -","- C24 H29 N O5 S2 -","- C96 H116 N4 O20 S8 -","4","2","","Vaz, Belén; Alvarez, Rosana; Brückner, Reinhard; de Lera, Angel R.","The Stille reaction in the synthesis of carotenoid butenolides: synthesis of 6'-epi-peridinin.","Organic letters","2005","7","4","545","548","10.1021/ol0478281","","","0.71073","MoKα","","0.06","0.04","","","0.0652","0.0695","","","","","","0.862","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506494","8.0985","0.0012","10.4719","0.0016","12.3827","0.0019","90","","90.47","0.003","90","","1050.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Br I O3 -","- C8 H8 Br I O3 -","- C32 H32 Br4 I4 O12 -","4","1","","Vaz, Belén; Alvarez, Rosana; Brückner, Reinhard; de Lera, Angel R.","The Stille reaction in the synthesis of carotenoid butenolides: synthesis of 6'-epi-peridinin.","Organic letters","2005","7","4","545","548","10.1021/ol0478281","","","0.71073","MoKα","","0.0744","0.0566","","","0.1536","0.1609","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506495","12.7957","0.0001","18.2036","0.0002","33.0523","0.0005","90","","90","","90","","7698.8","0.16","173","2","173","2","","","","","","","","4","P c 21 b","P -2bc -2c","29","","","","- C48 H100 B40 Si5 -","- C48 H100 B40 Si5 -","- C192 H400 B160 Si20 -","4","1","","Núñez, Rosario; González, Arántzazu; Viñas, Clara; Teixidor, Francesc; Sillanpää, Reijo; Kivekäs, Raikko","Approaches to the preparation of carborane-containing carbosilane compounds.","Organic letters","2005","7","2","231","233","10.1021/ol0478335","","x-ray","0.71073","Mokα","","0.1062","0.0674","","","0.1028","0.1153","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506496","12.3501","0.0014","18.786","0.002","10.827","0.0012","90","","90","","90","","2512","0.5","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","compound 3b","11,23-dimethyl-4,6,16,18-tetranitro-2,8,14,20-tetraoxacalix[4]arene","","- C26 H16 N4 O12 -","- C26 H16 N4 O12 -","- C104 H64 N16 O48 -","4","1","","Katz, Jeffrey L.; Feldman, Michael B.; Conry, Rebecca R.","Synthesis of functionalized oxacalix[4]arenes.","Organic letters","2005","7","1","91","94","10.1021/ol047840t","","","0.71073","MoKα","","0.1187","0.0711","","","0.1404","0.1702","","","","","","0.962","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506497","17.22","0.002","8.4231","0.001","21.729","0.003","90","","110.017","0.002","90","","2961.3","0.6","298","2","298","2","","","","","","","","4","P 1 n 1","P -2yac","7","compound 3e","26,28-dihydroxy-4,6,16,18-tetranitro-2,8,14,20-tetraoxacalix[4]arene","","- C28 H18 N6 O14 -","- C28 H18 N6 O14 -","- C112 H72 N24 O56 -","4","2","","Katz, Jeffrey L.; Feldman, Michael B.; Conry, Rebecca R.","Synthesis of functionalized oxacalix[4]arenes.","Organic letters","2005","7","1","91","94","10.1021/ol047840t","","","0.71073","MoKα","","0.0825","0.0523","","","0.1266","0.147","","","","","","0.92","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506498","8.245","0.002","9.07","0.002","15.501","0.004","93.34","0.02","91.41","0.02","110.26","0.02","1084.4","0.5","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O8 -","- C23 H20 N2 O8 -","- C46 H40 N4 O16 -","2","1","","Lu, Chong-Dao; Liu, Hui; Chen, Zhi-Yong; Hu, Wen-Hao; Mi, Ai-Qiao","Three-component reaction of aryl diazoacetates, alcohols, and aldehydes (or imines): evidence of alcoholic oxonium ylide intermediates.","Organic letters","2005","7","1","83","86","10.1021/ol0478483","","","0.71073","MoKα","","0.0631","0.0404","","","0.1073","0.1137","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506499","9.058","0.0015","10.3496","0.0018","14.987","0.003","74.357","0.003","78.955","0.003","86.161","0.003","1327.7","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 N2 O7 -","- C30 H28 N2 O7 -","- C60 H56 N4 O14 -","2","1","","Lu, Chong-Dao; Liu, Hui; Chen, Zhi-Yong; Hu, Wen-Hao; Mi, Ai-Qiao","Three-component reaction of aryl diazoacetates, alcohols, and aldehydes (or imines): evidence of alcoholic oxonium ylide intermediates.","Organic letters","2005","7","1","83","86","10.1021/ol0478483","","","0.71073","MoKα","","0.0662","0.0484","","","0.1219","0.1357","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506500","12.425","0.0009","21.493","0.001","5.9427","0.0004","90","","90","","90","","1587","0.17","296.2","","296.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 Br O3 -","- C17 H17 Br O3 -","- C68 H68 Br4 O12 -","4","1","","Itoh, Kennosuke; Hasegawa, Masayuki; Tanaka, Junji; Kanemasa, Shuji","Enantioselective enol lactone synthesis under double catalytic conditions.","Organic letters","2005","7","6","979","981","10.1021/ol047872g","","","0.7107","MoKα","","0.0722","0.0513","","","0.1304","0.1466","","","","","","0.94","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506501","11.852","0.008","15.102","0.01","19.607","0.014","74.327","0.014","86.668","0.012","73.37","0.02","3237","4","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H40 N3 O6 -","- C38 H40 N3 O6 -","- C152 H160 N12 O24 -","4","2","","Oguri, Hiroki; Schreiber, Stuart L.","Skeletal diversity via a folding pathway: synthesis of indole alkaloid-like skeletons.","Organic letters","2005","7","1","47","50","10.1021/ol047945w","","","0.71073","MoKα","","0.1747","0.0577","","","0.109","0.1386","","","","","","0.942","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506502","15.165","0.003","11.97","0.003","22.819","0.005","90","","92.248","0.005","90","","4139","1.6","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H47 N7 O10 S -","- C43 H47 N7 O10 S -","- C172 H188 N28 O40 S4 -","4","1","","Oguri, Hiroki; Schreiber, Stuart L.","Skeletal diversity via a folding pathway: synthesis of indole alkaloid-like skeletons.","Organic letters","2005","7","1","47","50","10.1021/ol047945w","","","0.71073","MoKα","","0.0807","0.0539","","","0.121","0.1318","","","","","","1.01","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506503","8.1817","0.0008","18.7309","0.0018","6.28","0.0006","90","","90","","90","","962.41","0.16","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H20 F6 O -","- C21 H20 F6 O -","- C42 H40 F12 O2 -","2","0.5","","Resendiz, Marino J. E.; Garcia-Garibay, Miguel A","Hammett analysis of photodecarbonylation in crystalline 1,3-diarylacetones.","Organic letters","2005","7","3","371","374","10.1021/ol0480527","","","0.71073","MoKα","","0.0431","0.0361","","","0.1015","0.1065","","","","","","1.044","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506504","10.905","0.0006","9.0569","0.0007","13.2693","0.0007","90","","92.194","0.005","90","","1309.59","0.14","293","2","293","2","","","","","","","Synthetized from commercial glucuronolactone","5","P 1 21 1","P 2yb","4","","(3aR,4aS,5R,8aR,8bR)-2,2-dimethyl-8a(benzyloxyamino)-8-phenyl-7- (phenylsulfanyl)-3a,4a,5,6,8a,8b-hexahydrobenzo[4,5]furo[2,3-d][1,3]dioxol-5-ol","","- C30 H31 N O5 S -","- C30 H31 N O5 S -","- C60 H62 N2 O10 S2 -","2","1","","Fernández, Marta; Alonso, Ricardo","Tandem radical addition and cyclization of epsilon-substituted delta-yne ketimines.","Organic letters","2005","7","1","11","14","10.1021/ol048104s","","","1.54184","CuKα","","0.0709","0.0467","","","0.1193","0.1326","","","","","","1.077","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506505","6.8995","0.0011","16.674","0.003","21.421","0.003","90","","90","","90","","2464.3","0.7","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 Cl N3 O6 -","- C21 H28 Cl N3 O6 -","- C84 H112 Cl4 N12 O24 -","4","1","","Liu, Xiaofeng; Li, Hongming; Deng, Li","Highly enantioselective amination of alpha-substituted alpha-cyanoacetates with chiral catalysts accessible from both quinine and quinidine.","Organic letters","2005","7","2","167","169","10.1021/ol048190w","","","0.71073","MoKα","","0.0768","0.0366","","","0.0401","0.0436","","","","","","0.844","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506506","6.738","0.0002","9.491","0.0002","10.247","0.0002","63.862","0.0011","79.987","0.0011","76.57","0.001","570.27","0.02","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H4 F4 S4 -","- C14 H4 F4 S2 -","- C28 H8 F8 S4 -","2","1","","Cho, Don M.; Parkin, Sean R.; Watson, Mark D.","Partial fluorination overcomes herringbone crystal packing in small polycyclic aromatics.","Organic letters","2005","7","6","1067","1068","10.1021/ol050019c","","","0.71073","MoKα","","0.0622","0.0373","","","0.0847","0.094","","","","","","1.075","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506507","9.137","0.0002","9.74","0.0002","13.595","0.0003","89.465","0.0009","73.679","0.0009","79.933","0.001","1142.23","0.04","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 F4 S2 -","- C26 H28 F4 S2 -","- C52 H56 F8 S4 -","2","1","","Cho, Don M.; Parkin, Sean R.; Watson, Mark D.","Partial fluorination overcomes herringbone crystal packing in small polycyclic aromatics.","Organic letters","2005","7","6","1067","1068","10.1021/ol050019c","","","0.71073","MoKα","","0.0791","0.0434","","","0.1003","0.1169","","","","","","1.015","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506508","13.229","0.0003","5.055","0.0001","16.776","0.0005","90","","108.127","0.0012","90","","1066.18","0.05","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 S2 -","- C14 H8 S2 -","- C56 H32 S8 -","4","1","","Cho, Don M.; Parkin, Sean R.; Watson, Mark D.","Partial fluorination overcomes herringbone crystal packing in small polycyclic aromatics.","Organic letters","2005","7","6","1067","1068","10.1021/ol050019c","","","0.71073","MoKα","","0.0534","0.0376","","","0.1038","0.1127","","","","","","1.07","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506509","10.989","0.0005","6.7478","0.0003","16.2987","0.0007","90","","95.001","0.002","90","","1203.97","0.09","90","0.2","90","0.2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H8 F4 -","- C18 H8 F4 -","- C72 H32 F16 -","4","1","","Cho, Don M.; Parkin, Sean R.; Watson, Mark D.","Partial fluorination overcomes herringbone crystal packing in small polycyclic aromatics.","Organic letters","2005","7","6","1067","1068","10.1021/ol050019c","","","1.54178","CuKα","","0.0404","0.0362","","","0.1014","0.1059","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506510","11.3466","0.0005","10.2778","0.0005","11.6638","0.0007","90","","118.642","0.004","90","","1193.76","0.12","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Reeder, Matthew D.; Srikanth, G. S. C.; Jones, Spencer B.; Castle, Steven L.","Synthesis of the core structure of acutumine.","Organic letters","2005","7","6","1089","1092","10.1021/ol050020b","","","0.71073","MoKα","","0.0532","0.0419","","","0.1131","0.1204","","","","","","1.077","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506511","8.7438","0.0006","7.6589","0.0003","21.3498","0.0009","90","","90.022","0.003","90","","1429.75","0.13","293","","293.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H36 Cl2 Cu N2 O4 -","- C28 H36 Cl2 Cu N2 O4 -","- C56 H72 Cl4 Cu2 N4 O8 -","2","1","","Lyle, Michael P. A.; Draper, Neil D.; Wilson, Peter D.","Enantioselective Friedel-Crafts alkylation reactions catalyzed by a chiral nonracemic C2-symmetric 2,2'-bipyridyl copper(II) complex.","Organic letters","2005","7","5","901","904","10.1021/ol050075d","","","1.5418","CuKα","","0.0521","0.0436","","0.148","0.0553","0.0553","","","","","","1.1741","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506512","5.9008","0.0002","9.6079","0.0003","17.7589","0.0006","90","","90","","90","","1006.83","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 N O S -","- C10 H13 N O S -","- C40 H52 N4 O4 S4 -","4","1","","Fernández, Inmaculada; Valdivia, Victoria; Gori, Beatrice; Alcudia, Felipe; Alvarez, Eleuterio; Khiar, Noureddine","The isopropylsulfinyl group: a useful chiral controller for the asymmetric aziridination of sulfinylimines and the organocatalytic allylation of hydrazones.","Organic letters","2005","7","7","1307","1310","10.1021/ol050080h","","","0.71073","MoKα","","0.0248","0.024","","","0.0648","0.0657","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506513","5.9295","0.0006","12.3312","0.0012","16.883","0.0016","90","","90","","90","","1234.4","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 Fe O S -","- C13 H16 Fe O S -","- C52 H64 Fe4 O4 S4 -","4","1","","Fernández, Inmaculada; Valdivia, Victoria; Gori, Beatrice; Alcudia, Felipe; Alvarez, Eleuterio; Khiar, Noureddine","The isopropylsulfinyl group: a useful chiral controller for the asymmetric aziridination of sulfinylimines and the organocatalytic allylation of hydrazones.","Organic letters","2005","7","7","1307","1310","10.1021/ol050080h","","","0.71073","MoKα","","0.055","0.0373","","","0.069","0.0742","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506514","10.7905","0.0012","7.675","0.0008","17.5436","0.0019","90","","90","","90","","1452.9","0.3","273","2","273","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","1,4-Bis-(2-methyl-phenyl)-benzene","","- C20 H18 -","- C20 H18 -","- C80 H72 -","4","0.5","","Lunazzi, Lodovico; Mazzanti, Andrea; Minzoni, Mirko; Anderson, J. Edgar","Structure, conformation, and dynamic processes of the stereolabile atropisomers of hindered terphenyl hydrocarbons.","Organic letters","2005","7","7","1291","1294","10.1021/ol050091a","","","0.71073","MoKα","","0.0492","0.0369","","","0.0976","0.1038","","","","","","1.073","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506515","8.206","0.004","19.137","0.009","7.029","0.003","90","","108.955","0.007","90","","1044","0.8","273","2","273","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","1,4-Bis-(2-tert-butyl-phenyl)benzene","","- C26 H30 -","- C26 H30 -","- C52 H60 -","2","0.5","","Lunazzi, Lodovico; Mazzanti, Andrea; Minzoni, Mirko; Anderson, J. Edgar","Structure, conformation, and dynamic processes of the stereolabile atropisomers of hindered terphenyl hydrocarbons.","Organic letters","2005","7","7","1291","1294","10.1021/ol050091a","","","0.71073","MoKα","","0.0601","0.0423","","","0.1089","0.1173","","","","","","1.013","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506516","19.569","0.003","9.6463","0.0008","15.091","0.003","90","","116.71","0.02","90","","2544.7","0.8","293","2","293","2","","","","","","","synthesis as described","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 O2 -","- C14 H22 O2 -","- C112 H176 O16 -","8","1","","Heim, Ralf; Wiedemann, Stefan; Williams, Craig M.; Bernhardt, Paul V.","Expedient construction of the vibsanin E core without the use of protecting groups.","Organic letters","2005","7","7","1327","1329","10.1021/ol0501222","","x-ray","0.71073","MoKα","","0.1992","0.05","","","0.099","0.145","","","","","","0.956","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506517","8.3731","0.0002","14.2379","0.0001","15.576","0.0002","115.671","0.001","93.9504","0.0005","99.789","0.001","1627.87","0.05","293","1","","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N2 O7 -","- C16 H16 N2 O7 -","- C64 H64 N8 O28 -","4","2","","Ma, Cheng; Yang, Yewei","Thiazolium-mediated multicomponent reactions: a facile synthesis of 3-aminofuran derivatives.","Organic letters","2005","7","7","1343","1345","10.1021/ol0501368","","","0.7107","MoKα","","","0.056","","","","0.163","","","","","","1.005","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506518","8.3581","0.0007","23.522","0.002","7.8293","0.0007","90","","90","","90","","1539.2","0.2","183","2","183","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H16 N4 -","- C20 H16 N4 -","- C80 H64 N16 -","4","1","","Davis, Riju; Tamaoki, Nobuyuki","Novel photochromic spiroheterocyclic molecules via oxidation of 1,8-diaminonaphthalene.","Organic letters","2005","7","8","1461","1464","10.1021/ol050138s","","","0.71073","MoKα","","0.0383","0.0379","","","0.1007","0.1012","","","","","","0.916","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506519","11.993","0.004","16.027","0.005","7.917","0.003","90","","97.52","0.006","90","","1508.7","0.9","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C80 H60 N12 O4 -","4","1","","Davis, Riju; Tamaoki, Nobuyuki","Novel photochromic spiroheterocyclic molecules via oxidation of 1,8-diaminonaphthalene.","Organic letters","2005","7","8","1461","1464","10.1021/ol050138s","","","0.71073","MoKα","","0.1945","0.0704","","","0.1636","0.2408","","","","","","0.94","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506520","13.904","0.003","4.0318","0.0008","14.426","0.003","90","","112.209","0.003","90","","748.7","0.3","183","2","183","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 N4 -","- C20 H16 N4 -","- C40 H32 N8 -","2","0.5","","Davis, Riju; Tamaoki, Nobuyuki","Novel photochromic spiroheterocyclic molecules via oxidation of 1,8-diaminonaphthalene.","Organic letters","2005","7","8","1461","1464","10.1021/ol050138s","","","0.71069","MoKα","","0.0595","0.0487","","","0.1378","0.1485","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506521","22.607","0.003","5.3689","0.0008","24.359","0.004","90","","90","","90","","2956.6","0.8","183","2","183","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C160 H120 N24 O8 -","8","1","","Davis, Riju; Tamaoki, Nobuyuki","Novel photochromic spiroheterocyclic molecules via oxidation of 1,8-diaminonaphthalene.","Organic letters","2005","7","8","1461","1464","10.1021/ol050138s","","","0.71073","MoKα","","0.1487","0.0553","","","0.1061","0.1358","","","","","","0.966","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506522","4.9575","0.0006","15.1933","0.0018","18.374","0.002","90","","90","","90","","1383.9","0.3","203","2","203","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H13 N3 -","- C20 H13 N3 -","- C80 H52 N12 -","4","1","","Davis, Riju; Tamaoki, Nobuyuki","Novel photochromic spiroheterocyclic molecules via oxidation of 1,8-diaminonaphthalene.","Organic letters","2005","7","8","1461","1464","10.1021/ol050138s","","","0.71073","MoKα","","0.0595","0.0505","","","0.1272","0.1348","","","","","","0.982","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506523","7.4462","0.0008","7.8786","0.0009","13.6251","0.0015","90","","91.258","0.002","90","","799.13","0.15","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 N2 O -","- C10 H8 N2 O -","- C40 H32 N8 O4 -","4","1","","Davis, Riju; Tamaoki, Nobuyuki","Novel photochromic spiroheterocyclic molecules via oxidation of 1,8-diaminonaphthalene.","Organic letters","2005","7","8","1461","1464","10.1021/ol050138s","","","0.71069","MoKα","","0.0519","0.0459","","","0.13","0.1363","","","","","","1.086","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506524","15.686","0.003","12.04","0.002","7.8796","0.0015","90","","90","","90","","1488.1","0.5","203","2","203","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C80 H60 N12 O4 -","4","1","","Davis, Riju; Tamaoki, Nobuyuki","Novel photochromic spiroheterocyclic molecules via oxidation of 1,8-diaminonaphthalene.","Organic letters","2005","7","8","1461","1464","10.1021/ol050138s","","","0.71073","MoKα","","0.0633","0.0355","","","0.0855","0.1145","","","","","","1.086","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506525","7.8283","0.00001","10.626","0.0002","11.105","0.0002","89.465","0.001","75.808","0.001","72.908","0.001","854.04","0.02","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H52 N4 O4 -","- C38 H52 N4 O4 -","- C38 H52 N4 O4 -","1","0.5","","Sessler, Jonathan L.; Aguilar, Apolonio; Sanchez-Garcia, David; Seidel, Daniel; Köhler, Thomas; Arp, Forrest; Lynch, Vincent M.","Facile syntheses of quater-, penta-, and sexipyrroles.","Organic letters","2005","7","10","1887","1890","10.1021/ol050151c","","","0.71073","MoKα","","0.0623","0.041","","","0.0917","0.1023","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506526","8.5826","0.0001","10.7345","0.0001","34.6417","0.0005","88.214","0.001","83.085","0.001","74.848","0.001","3058.18","0.07","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H56 F18 N6 O16 -","- C54 H55 F18 N6 O16 -","- C108 H110 F36 N12 O32 -","2","1","","Sessler, Jonathan L.; Aguilar, Apolonio; Sanchez-Garcia, David; Seidel, Daniel; Köhler, Thomas; Arp, Forrest; Lynch, Vincent M.","Facile syntheses of quater-, penta-, and sexipyrroles.","Organic letters","2005","7","10","1887","1890","10.1021/ol050151c","","","0.71073","MoKα","","0.1253","0.0735","","","0.1357","0.1572","","","","","","1.156","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506527","10.4318","0.0005","14.7988","0.0006","35.7592","0.0015","90","","90","","90","","5520.4","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 N2 O5 -","- C30 H32 N2 O5 -","- C240 H256 N16 O40 -","8","2","","Wipf, Peter; Stephenson, Corey R. J.","Three-component synthesis of alpha,beta-cyclopropyl-gamma-amino acids.","Organic letters","2005","7","6","1137","1140","10.1021/ol0501525","","","0.71073","MoKα","","0.135","0.0673","","","0.1393","0.1639","","","","","","0.95","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506528","5.3668","0.0003","14.348","0.0007","23.0874","0.0011","90","","90","","90","","1777.8","0.16","571","2","571","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Br N O3 -","- C19 H18 Br N O3 -","- C76 H72 Br4 N4 O12 -","4","1","","Wipf, Peter; Stephenson, Corey R. J.","Three-component synthesis of alpha,beta-cyclopropyl-gamma-amino acids.","Organic letters","2005","7","6","1137","1140","10.1021/ol0501525","","","0.71073","MoKα","","0.1031","0.0432","","","0.0849","0.1043","","","","","","0.955","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506529","6.8454","0.0002","7.4615","0.0003","27.2798","0.0012","90","","91.069","0.002","90","","1393.13","0.09","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[2-(4-methoxybenzyl)phenyl]morpholine","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C72 H84 N4 O8 -","4","1","","Rosamilia, Anthony E.; Scott, Janet L.; Strauss, Christopher R.","Preparation of 2- and 4-arylmethyl N-substituted and N,N-disubstituted anilines via a ""green"", multicomponent reaction.","Organic letters","2005","7","8","1525","1528","10.1021/ol0501828","","","0.71073","MoKα","","0.1373","0.0503","","","0.0978","0.1238","","","","","","0.941","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506530","9.2593","0.0002","16.1551","0.0003","10.1261","0.0002","90","","101.834","0.001","90","","1482.52","0.05","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-[4-(4-methoxybenzyl)phenyl]morpholine","","- C18 H21 N O2 -","- C18 H21 N O2 -","- C72 H84 N4 O8 -","4","1","","Rosamilia, Anthony E.; Scott, Janet L.; Strauss, Christopher R.","Preparation of 2- and 4-arylmethyl N-substituted and N,N-disubstituted anilines via a ""green"", multicomponent reaction.","Organic letters","2005","7","8","1525","1528","10.1021/ol0501828","","","0.71073","MoKα","","0.1084","0.0477","","","0.0969","0.1182","","","","","","1.014","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506531","11.8742","0.0004","14.427","0.0003","11.6716","0.0005","90","","90","","90","","1999.45","0.12","123","2","123","2","","","","","","","","3","P n a 21","P 2c -2n","33","","N-benzyl-(2-benzyl,4-tolyl)aniline","","- C27 H25 N -","- C27 H25 N -","- C108 H100 N4 -","4","1","","Rosamilia, Anthony E.; Scott, Janet L.; Strauss, Christopher R.","Preparation of 2- and 4-arylmethyl N-substituted and N,N-disubstituted anilines via a ""green"", multicomponent reaction.","Organic letters","2005","7","8","1525","1528","10.1021/ol0501828","","","0.71073","MoKα","","0.0828","0.0432","","","0.0822","0.0958","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506532","5.1091","0.0016","8.604","0.003","11.779","0.004","96.15","0.006","99.491","0.006","103.281","0.005","491.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","3mepyox-ICCCCI","1-3 Co-crystal","","- C18 H14 I2 N4 O2 -","- C18 H14 I2 N4 O2 -","- C18 H14 I2 N4 O2 -","1","0.5","","Goroff, Nancy S.; Curtis, Sean M.; Webb, Jeffrey A.; Fowler, Frank W.; Lauher, Joseph W.","Designed cocrystals based on the pyridine-iodoalkyne halogen bond.","Organic letters","2005","7","10","1891","1893","10.1021/ol050184s","","","0.71073","MoKα","","0.0969","0.0589","","","0.1388","0.1518","","","","","","0.849","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506533","5.0225","0.0014","13.367","0.004","16.614","0.005","111.708","0.004","96.629","0.005","90.382","0.004","1027.9","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","4mepyox-ICCCCI","1-4 Co-crystal","","- C18 H14 I2 N4 O2 -","- C18 H14 I2 N4 O2 -","- C36 H28 I4 N8 O4 -","2","1","","Goroff, Nancy S.; Curtis, Sean M.; Webb, Jeffrey A.; Fowler, Frank W.; Lauher, Joseph W.","Designed cocrystals based on the pyridine-iodoalkyne halogen bond.","Organic letters","2005","7","10","1891","1893","10.1021/ol050184s","","","0.71073","MoKα","","0.137","0.0633","","","0.144","0.1719","","","","","","0.885","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506534","4.5341","0.0005","33.343","0.004","14.4556","0.0017","90","","93.812","0.002","90","","2180.6","0.4","293","2","293","2","","","","","","","","5","P 1 n 1","P -2yac","7","3mepy-ur-ICCCCI","1-5 Co-crystal","","- C18 H14 I2 N4 O2 -","- C18 H14 I2 N4 O2 -","- C72 H56 I8 N16 O8 -","4","2","","Goroff, Nancy S.; Curtis, Sean M.; Webb, Jeffrey A.; Fowler, Frank W.; Lauher, Joseph W.","Designed cocrystals based on the pyridine-iodoalkyne halogen bond.","Organic letters","2005","7","10","1891","1893","10.1021/ol050184s","","","0.71073","MoKα","","0.1251","0.0686","","","0.2128","0.1944","","","","","","0.961","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506535","4.517","0.005","26.92","0.03","8.586","0.01","90","","93.546","0.018","90","","1042","2","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","4mepyur-ICCCCI","1-6 co-crystal","","- C18 H14 I2 N4 O2 -","- C18 H14 I2 N4 O2 -","- C36 H28 I4 N8 O4 -","2","0.5","","Goroff, Nancy S.; Curtis, Sean M.; Webb, Jeffrey A.; Fowler, Frank W.; Lauher, Joseph W.","Designed cocrystals based on the pyridine-iodoalkyne halogen bond.","Organic letters","2005","7","10","1891","1893","10.1021/ol050184s","","","0.71073","MoKα","","0.1819","0.059","","","0.0984","0.1894","","","","","","0.928","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506536","5.2844","0.0011","8.4501","0.0018","12.202","0.003","77.709","0.004","78.835","0.004","83.769","0.004","521","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-3 Co-crystal","","- C20 H14 I2 N4 O2 -","- C20 H14 I2 N4 O2 -","- C20 H14 I2 N4 O2 -","1","0.5","","Goroff, Nancy S.; Curtis, Sean M.; Webb, Jeffrey A.; Fowler, Frank W.; Lauher, Joseph W.","Designed cocrystals based on the pyridine-iodoalkyne halogen bond.","Organic letters","2005","7","10","1891","1893","10.1021/ol050184s","","","0.71073","MoKα","","0.0836","0.0573","","","0.135","0.1472","","","","","","0.923","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506537","4.9734","0.0015","9.899","0.003","11.033","0.003","96.605","0.005","95.183","0.005","99.824","0.006","528.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-4 Co-Crystal","","- C20 H14 I2 N4 O2 -","- C20 H14 I2 N4 O2 -","- C20 H14 I2 N4 O2 -","1","0.5","","Goroff, Nancy S.; Curtis, Sean M.; Webb, Jeffrey A.; Fowler, Frank W.; Lauher, Joseph W.","Designed cocrystals based on the pyridine-iodoalkyne halogen bond.","Organic letters","2005","7","10","1891","1893","10.1021/ol050184s","","","0.71073","MoKα","","0.1049","0.0669","","","0.1626","0.1828","","","","","","0.902","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506538","8.304","0.0002","8.875","0.0003","20.562","0.0007","90","","91.997","0.0011","90","","1514.46","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","compound 14","(3S)-Tetahydro-3-[(1R,2R,4R,5S)-2-hydroxyl-spiro[3-oxa-7-thiabicyclo[3.3.1]nonane-9,2'-[1,3]dioxolane]-4-yl]-4H-thiopyran-4-one","","- C14 H20 O5 S2 -","- C14 H20 O5 S2 -","- C56 H80 O20 S8 -","4","1","","Ward, Dale E.; Jheengut, Vishal; Akinnusi, Olukayode T.","Enantioselective direct intermolecular aldol reactions with enantiotopic group selectivity and dynamic kinetic resolution.","Organic letters","2005","7","6","1181","1184","10.1021/ol050195l","","","0.71073","MoKα","","0.0773","0.0496","","","0.1237","0.1374","","","","","","1.033","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506539","20.556","0.0008","5.32","0.0003","15.025","0.0007","90","","95.915","0.002","90","","1634.35","0.14","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","compound 15","(3R,4S)-3-{(R)-Hydroxy-[(6S,10R)-10-hydroxymethyl- 1,4-dioxa-8-thiaspiro[4.5]dec-6-yl]methyl}- tetrahydro-2H-thiopyran-4-ol","","- C14 H26 O6 S2 -","- C14 H26 O6 S2 -","- C56 H104 O24 S8 -","4","1","","Ward, Dale E.; Jheengut, Vishal; Akinnusi, Olukayode T.","Enantioselective direct intermolecular aldol reactions with enantiotopic group selectivity and dynamic kinetic resolution.","Organic letters","2005","7","6","1181","1184","10.1021/ol050195l","","","0.71073","MoKα","","0.0552","0.0436","","","0.0854","0.091","","","","","","1.094","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506540","8.0389","0.0011","14.888","0.002","14.573","0.002","90","","100.433","0.003","90","","1715.3","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O6 -","- C20 H16 O6 -","- C80 H64 O24 -","4","1","","Nair, Vijay; Pillai, Abhilash N.; Menon, Rajeev S.; Suresh, Eringathodi","Pyridine-catalyzed addition of diaryl-1,2-diones to dimethyl butynedioate leading to the formation of 1,2-diaroyl dimethyl maleates via an unprecedented rearrangement.","Organic letters","2005","7","6","1189","1191","10.1021/ol050225k","","","0.71073","MoKα","","0.0915","0.0652","","","0.1674","0.1886","","","","","","1.047","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506541","6.854","0.003","14.08","0.004","20.093","0.009","90","","90","","90","","1939.1","1.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C80 H128 O12 -","4","1","","Jeffery, David W.; Perkins, Michael V.; White, Jonathan M.","Synthesis of the putative structure of tridachiahydropyrone.","Organic letters","2005","7","8","1581","1584","10.1021/ol050236d","","","1.5418","CuKα","","0.3284","0.1065","","","0.1767","0.2657","","","","","","0.974","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506542","9.079","0.002","10.386","0.003","11.448","0.003","64.851","0.005","77.443","0.005","72.753","0.005","928","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 O3 S -","- C20 H26 O3 S -","- C40 H52 O6 S2 -","2","1","","Souto, José A; López, Carlos Silva; Faza, Olalla Nieto; Alvarez, Rosana; de Lera, Angel R.","2-Alkylidenesulfol-3-enes by (regio- and) stereoselective cheletropic addition of SO2 to (di)vinylallenes.","Organic letters","2005","7","8","1565","1568","10.1021/ol050240p","","","0.71073","MoKα","","0.114","0.0772","","","0.246","0.2612","","","","","","1.104","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506543","9.7494","0.0008","12.3191","0.0011","12.4391","0.0011","101.789","0.001","111.839","0.001","107.544","0.001","1234.86","0.19","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","P,P-diphenyl-N-(1-dimethylphenylsilyl-3-methylmethylene)-phosphinic amide","","- C28 H30 N O P Si -","- C28 H30 N O P Si -","- C56 H60 N2 O2 P2 Si2 -","2","1","","Ballweg, David M.; Miller, Rebecca C.; Gray, Danielle L.; Scheidt, Karl A.","Stereoselective synthesis of alpha-silylamines by the direct addition of silyl anions to activated imines.","Organic letters","2005","7","7","1403","1406","10.1021/ol050244u","","","0.71073","MoKα","","0.0744","0.0492","","","0.118","0.1308","","","","","","1.001","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506544","6.4269","0.0008","16.553","0.002","18.276","0.002","90","","90","","90","","1944.3","0.4","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S(S),S) N-(1-dimethylphenylsilylphenylmethylene)-t-butanesulfinamide","","- C19 H27 N O S Si -","- C19 H27 N O S Si -","- C76 H108 N4 O4 S4 Si4 -","4","1","","Ballweg, David M.; Miller, Rebecca C.; Gray, Danielle L.; Scheidt, Karl A.","Stereoselective synthesis of alpha-silylamines by the direct addition of silyl anions to activated imines.","Organic letters","2005","7","7","1403","1406","10.1021/ol050244u","","","0.71073","MoKα","","0.1208","0.062","","","0.1144","0.1353","","","","","","0.966","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506545","6.5692","0.0013","15.207","0.003","20.303","0.004","90","","90","","90","","2028.2","0.7","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(R(S),R)-1-dimethylphenyl-2,2-dimethylpropyl)-t-butanesulfinamide","","- C17 H33 N O2 S Si -","- C17 H33 N O2 S Si -","- C68 H132 N4 O8 S4 Si4 -","4","1","","Ballweg, David M.; Miller, Rebecca C.; Gray, Danielle L.; Scheidt, Karl A.","Stereoselective synthesis of alpha-silylamines by the direct addition of silyl anions to activated imines.","Organic letters","2005","7","7","1403","1406","10.1021/ol050244u","","","0.71073","MoKα","","0.147","0.0592","","","0.1058","0.1279","","","","","","0.877","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506546","10.446","0.005","15.755","0.005","19.741","0.005","101.976","0.005","91.797","0.005","98.325","0.005","3138","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H71 N9 O13 -","- C66 H71 N9 O13 -","- C132 H142 N18 O26 -","2","1","","Bag, Bamaprasad; Bharadwaj, Parimal K.","Attachment of electron-withdrawing 2,4-dinitrobenzene groups to a cryptand-based receptor for Cu(II)/H+ specific exciplex and monomer emissions.","Organic letters","2005","7","8","1573","1576","10.1021/ol050254v","","","0.71069","MoKα","","0.087","0.0674","","","0.187","0.2032","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506547","12.495","0.0003","33.601","0.0001","14.107","0.0002","90","","110.001","0.003","90","","5565.53","0.19","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C69 H67 N7 O7 -","- C69 H67 N7 O7 -","- C276 H268 N28 O28 -","4","1","","Bag, Bamaprasad; Bharadwaj, Parimal K.","Attachment of electron-withdrawing 2,4-dinitrobenzene groups to a cryptand-based receptor for Cu(II)/H+ specific exciplex and monomer emissions.","Organic letters","2005","7","8","1573","1576","10.1021/ol050254v","","","0.71073","MoKα","","0.0808","0.061","","","0.1705","0.1836","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506548","13.143","0.005","13.52","0.005","18.853","0.005","85.665","0.005","71.885","0.005","76.671","0.005","3098.2","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H66 Cl N11 O15 -","- C64 H66 Cl N11 O15 -","- C128 H132 Cl2 N22 O30 -","2","1","","Bag, Bamaprasad; Bharadwaj, Parimal K.","Attachment of electron-withdrawing 2,4-dinitrobenzene groups to a cryptand-based receptor for Cu(II)/H+ specific exciplex and monomer emissions.","Organic letters","2005","7","8","1573","1576","10.1021/ol050254v","","","0.71073","MoKα","","0.1073","0.0729","","","0.1865","0.2147","","","","","","0.977","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506549","20.937","0.005","13.542","0.005","24.926","0.005","90","0.005","92.507","0.005","90","0.005","7060","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C75 H80 Cl2 N10 O16 -","- C75 H78 Cl2 N10 O16 -","- C300 H312 Cl8 N40 O64 -","4","1","","Bag, Bamaprasad; Bharadwaj, Parimal K.","Attachment of electron-withdrawing 2,4-dinitrobenzene groups to a cryptand-based receptor for Cu(II)/H+ specific exciplex and monomer emissions.","Organic letters","2005","7","8","1573","1576","10.1021/ol050254v","","","0.71069","MoKα","","0.1125","0.0798","","","0.165","0.1806","","","","","","1.098","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506550","9.9387","0.0013","11.7542","0.0016","15.485","0.002","90","","90","","90","","1809","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C9 H14 O4 -","- C9 H14 O4 -","- C72 H112 O32 -","8","1","","Aspinall, Helen C.; Greeves, Nicholas; Valla, Carine","Samarium diiodide-catalyzed diastereoselective pinacol couplings.","Organic letters","2005","7","10","1919","1922","10.1021/ol050256f","","","0.71073","MoKα","","0.0493","0.0381","","","0.0931","0.0971","","","","","","0.958","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506551","15.9393","0.0014","29.73","0.003","12.2145","0.0011","90","","92.481","0.002","90","","5782.7","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H36 F3 N2 O3.5 -","- C29 H36 F3 N2 O3.5 -","- C232 H288 F24 N16 O28 -","8","1","","Nair, Vijay; Sreekumar, V.; Bindu, S.; Suresh, Eringathodi","Two unprecedented multicomponent reactions involving N-heterocyclic carbenes, activated acetylenes, and aldehydes.","Organic letters","2005","7","12","2297","2300","10.1021/ol0502782","","","0.71073","MoKα","","0.0867","0.0707","","","0.1923","0.2074","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506552","9.2322","0.0015","17.385","0.003","9.8198","0.0016","90","","101.64","0.003","90","","1543.7","0.4","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H38 F N2 O9 -","- C30 H38 F N2 O9 -","- C60 H76 F2 N4 O18 -","2","1","","Nair, Vijay; Sreekumar, V.; Bindu, S.; Suresh, Eringathodi","Two unprecedented multicomponent reactions involving N-heterocyclic carbenes, activated acetylenes, and aldehydes.","Organic letters","2005","7","12","2297","2300","10.1021/ol0502782","","","0.71073","MoKα","","0.0528","0.0472","","","0.131","0.1439","","","","","","1.073","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506553","11.791","0.002","17.038","0.003","17.969","0.004","90","","74.07","0.03","90","","3471.3","1.3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C78 H81 B N2 O2 P2 Ru -","- C78 H81 B N2 O2 P2 Ru -","- C156 H162 B2 N4 O4 P4 Ru2 -","2","1","","Guo, Rongwei; Chen, Xuanhua; Elpelt, Christian; Song, Datong; Morris, Robert H.","Applications of ruthenium hydride borohydride complexes containing phosphinite and diamine ligands to asymmetric catalytic reactions.","Organic letters","2005","7","9","1757","1759","10.1021/ol050336j","","","0.71073","MoKα","","0.2171","0.0703","","","0.1273","0.1752","","","","","","0.94","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506554","18.059","0.004","18.096","0.004","21.949","0.004","90","","90","","90","","7173","3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C81.6 H89.4 B N2 O2 P2 Ru -","- C81.6 H81 B N2 O2 P2 Ru -","- C326.4 H324 B4 N8 O8 P8 Ru4 -","4","1","","Guo, Rongwei; Chen, Xuanhua; Elpelt, Christian; Song, Datong; Morris, Robert H.","Applications of ruthenium hydride borohydride complexes containing phosphinite and diamine ligands to asymmetric catalytic reactions.","Organic letters","2005","7","9","1757","1759","10.1021/ol050336j","","","0.71073","MoKα","","0.2101","0.0624","","","0.09","0.1216","","","","","","0.927","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506555","27.093","0.004","6.392","0.0013","10.547","0.0007","90","","90","","90","","1826.5","0.5","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","3-Bromo-5-(4-chlorohenyl)-2-(4-tertbutylphenyl)furan","","- C20 H18 Br Cl O -","- C20 H18 Br Cl O -","- C80 H72 Br4 Cl4 O4 -","4","1","","Sniady, Adam; Wheeler, Kraig A.; Dembinski, Roman","5-Endo-dig electrophilic cyclization of 1,4-disubstituted but-3-yn-1-ones: regiocontrolled synthesis of 2,5-disubstituted 3-bromo- and 3-iodofurans.","Organic letters","2005","7","9","1769","1772","10.1021/ol050372i","","","0.71073","MoKα","","0.1168","0.0502","","","0.0877","0.1065","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506556","7.8832","0.0012","17.578","0.003","9.3048","0.0014","90","","93.894","0.002","90","","1286.4","0.4","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Cl O3 -","- C15 H11 Cl O3 -","- C60 H44 Cl4 O12 -","4","1","","Calter, Michael A.; Tretyak, Olexandr A.; Flaschenriem, Christine","Formation of disubstituted beta-lactones using bifunctional catalysis.","Organic letters","2005","7","9","1809","1812","10.1021/ol050411q","","","0.71073","MoKα","","0.1605","0.1329","","","0.2569","0.2689","","","","","","1.38","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506557","6.9632","0.0014","9.5308","0.0017","15.805","0.003","90","","91.416","0.004","90","","1048.6","0.3","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H33 N O5 -","- C24 H33 N O5 -","- C48 H66 N2 O10 -","2","1","","Wu, Huifang; Thatcher, Linn N.; Bernard, Denzil; Parrish, Damon A.; Deschamps, Jeffrey R.; Rice, Kenner C.; MacKerell, Jr, Alexander D; Coop, Andrew","Position of coordination of the lithium ion determines the regioselectivity of demethylations of 3,4-dimethoxymorphinans with L-selectride.","Organic letters","2005","7","13","2531","2534","10.1021/ol050433c","","","0.71073","MoKα","","0.0599","0.0471","","","0.1171","0.1373","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506558","14.251","0.001","6.4802","0.0005","19.219","0.001","90","","97.679","0.003","90","","1758.9","0.2","213","2","213","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H52 O3 -","- C39 H52 O3 -","- C78 H104 O6 -","2","1","","Kumar, Nilesh; Kiuchi, Masatoshi; Tallarico, John A.; Schreiber, Stuart L.","Small-molecule diversity using a skeletal transformation strategy.","Organic letters","2005","7","13","2535","2538","10.1021/ol0504345","","","0.71073","MoKα","","0.1032","0.0697","","","0.1737","0.1952","","","","","","1.023","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506559","18.578","0.003","13.143","0.002","21.494","0.003","90","","111.874","0.003","90","","4870.4","1.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H72 N4 O4 -","- C52 H72 N4 O4 -","- C208 H288 N16 O16 -","4","1","","Simaan, Samah; Biali, Silvio E.","Preferential axial protonation in a zwitterionic calix[4]arene.","Organic letters","2005","7","9","1817","1820","10.1021/ol0504392","","","0.71073","MoKα","","0.071","0.0554","","","0.1413","0.1494","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506560","8.136","0.001","8.542","0.002","10.627","0.003","84.959","0.006","73.671","0.007","69.347","0.005","663.2","0.3","293","1","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N O6 -","- C13 H13 N O6 -","- C26 H26 N2 O12 -","2","1","","Ding, Hanfeng; Ma, Cheng; Yang, Yewei; Wang, Yanguang","Unexpected reaction of dimethyl acetylenedicarboxylate with in situ generated arylketenes catalyzed by 1-methylimidazole.","Organic letters","2005","7","11","2125","2127","10.1021/ol050492q","","","0.7107","MoKα","","","0.054","","","","0.163","","","","","","1.003","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506561","23.64","0.01","16.89","0.006","12.682","0.005","90","","116.4","0.03","90","","4536","3","173.1","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C48 H68 N4 O4 -","- C48.04 H38 N4 O4 -","- C192.16 H152 N16 O16 -","4","0.5","","Tsue, Hirohito; Ishibashi, Koichi; Takahashi, Hiroki; Tamura, Rui","Exhaustively methylated azacalix[4]arene: preparation, conformation, and crystal structure with exclusively CH/pi-controlled crystal architecture.","Organic letters","2005","7","11","2165","2168","10.1021/ol050493i","","","0.7107","MoKα","","","0.092","","","","0.136","","","","","","1.142","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506562","10.059","0.0011","5.9759","0.0007","13.3917","0.0015","90","","108.39","0.002","90","","763.89","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C34 H36 N4 O10 -","2","1","","Alvarez de Cienfuegos, Luis; Mota, Antonio J.; Robles, Rafael","Convenient synthesis of nucleoside and isonucleoside analogues.","Organic letters","2005","7","11","2161","2164","10.1021/ol050496v","","","0.71073","MoKα","","0.0523","0.0479","","","0.1169","0.1199","","","","","","1.031","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506563","7.872","0.001","7.923","0.001","9.822","0.001","90","","98.156","0.009","90","","606.4","0.13","296.2","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C26 H36 O6 -","2","1","","Yasuda, Makoto; Tanaka, Shin-Ya; Baba, Akio","Reductive cross-aldol reaction using bromoaldehyde and an aldehyde mediated by germanium(II): one-pot, large-scale protocol.","Organic letters","2005","7","9","1845","1848","10.1021/ol050533i","","","0.7107","MoKα","","","0.0521","","","","0.1256","","","","","","2.159","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506564","8.6325","0.0011","8.2795","0.001","9.4032","0.0012","90","","108.713","0.002","90","","636.55","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 N O2 -","- C6 H9 N O2 -","- C24 H36 N4 O8 -","4","1","","Hu, Tianshun; Li, Chaozhong","Synthesis of lactams via copper-catalyzed intramolecular vinylation of amides.","Organic letters","2005","7","10","2035","2038","10.1021/ol0505555","","","0.71073","MoKα","","0.0844","0.0738","","","0.2128","0.2232","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506565","7.6969","0.0012","9.6905","0.0014","16.428","0.002","90","","90","","90","","1225.3","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H18 N2 O2 -","- C12 H18 N2 O2 -","- C48 H72 N8 O8 -","4","0.5","","Hu, Tianshun; Li, Chaozhong","Synthesis of lactams via copper-catalyzed intramolecular vinylation of amides.","Organic letters","2005","7","10","2035","2038","10.1021/ol0505555","","","0.71073","MoKα","","0.0645","0.0474","","","0.1166","0.127","","","","","","0.97","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506566","10.1516","0.0005","15.4731","0.0008","26.0575","0.0013","90","","100.362","0.002","90","","4026.3","0.4","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Nonachloroazatriquinacene - C60","","","- C69 Cl9 N -","- C69 Cl9 N -","- C276 Cl36 N4 -","4","1","","Pham, David; Cerón Bertran, Jordi; Olmstead, Marilyn M.; Mascal, Mark; Balch, Alan L.","Interaction of fullerenes with the concave surfaces of perchloroazatriquinacene.","Organic letters","2005","7","14","2805","2808","10.1021/ol050557p","","","0.71073","MoKα","","0.0547","0.0383","","","0.0998","0.1109","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506567","16.844","0.003","19.929","0.004","26.869","0.005","90","","90","","90","","9019","3","90","2","90","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Nanochloroazatriquinacene - C70","","","- C79 Cl9 N -","- C79 Cl9 N -","- C632 Cl72 N8 -","8","1","","Pham, David; Cerón Bertran, Jordi; Olmstead, Marilyn M.; Mascal, Mark; Balch, Alan L.","Interaction of fullerenes with the concave surfaces of perchloroazatriquinacene.","Organic letters","2005","7","14","2805","2808","10.1021/ol050557p","","","0.71073","MoKα","","0.0508","0.0391","","","0.1048","0.1132","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506568","9.6285","0.0009","10.2351","0.0009","15.0732","0.0013","90","","90","","90","","1485.4","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 F2 N O2 -","- C6 H11 F2 N O2 -","- C48 H88 F16 N8 O16 -","8","2","","Wang, Ruo-Wen; Qing, Feng-Ling","Highly stereocontrolled synthesis of gem-difluoromethylenated azasugars: D- and L-1,4,6-trideoxy-4,4-difluoronojirimycin.","Organic letters","2005","7","11","2189","2192","10.1021/ol050558h","","","0.71073","MoKα","","0.0435","0.0413","","","0.0978","0.0994","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506569","6.8517","0.0011","39.307","0.007","7.0654","0.0011","90","","115.035","0.003","90","","1724.1","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C72 H92 N4 O20 -","4","2","","Morin, Matthew D.; Rychnovsky, Scott D.","Reductive spiroannulation of nitriles with secondary electrophiles.","Organic letters","2005","7","10","2051","2053","10.1021/ol050567q","","","0.71073","MoKα","","0.0752","0.0629","","","0.1711","0.1936","","","","","","1.11","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506570","9.6051","0.0009","7.4837","0.0007","11.8595","0.0011","90","","99.663","0.002","90","","840.39","0.14","163","2","163","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C36 H46 N2 O10 -","2","1","","Morin, Matthew D.; Rychnovsky, Scott D.","Reductive spiroannulation of nitriles with secondary electrophiles.","Organic letters","2005","7","10","2051","2053","10.1021/ol050567q","","","0.71073","MoKα","","0.0516","0.0376","","","0.089","0.0967","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506571","11.262","0.002","6.1691","0.0012","21.598","0.004","90","","96.62","0.03","90","","1490.5","0.5","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 O3 -","- C16 H26 O3 -","- C64 H104 O12 -","4","1","","Aggarwal, Varinder K.; Patin, Amaury; Tisserand, Steve","Highly diastereoselective Diels-Alder reactions of Baylis-Hillman adducts.","Organic letters","2005","7","13","2555","2557","10.1021/ol050584f","","","0.71073","MoKα","","0.0567","0.053","","","0.1223","0.1246","","","","","","1.148","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506572","10.687","0.002","7.678","0.0015","28.81","0.006","90","","96.29","0.03","90","","2349.8","0.8","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C12 H19 N O4 -","- C12 H19 N O4 -","- C96 H152 N8 O32 -","8","1","","Giorgi, Giorgio; Miranda, Sonia; López-Alvarado, Pilar; Avendaño, Carmen; Rodriguez, Jean; Menéndez, J Carlos","Unique Michael addition-initiated domino reaction for the stereoselective synthesis of functionalized macrolactones from alpha-nitroketones in water.","Organic letters","2005","7","11","2197","2200","10.1021/ol0505860","","","1.5418","CuKα","","0.2185","0.0919","","0.2781","0.1988","","","","1.076","1.529","1.529","","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506573","13.274","0.003","12.007","0.002","12.039","0.002","90","","94.65","0.03","90","","1912.5","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H25 Br N2 O3 -","- C18 H25 Br N2 O3 -","- C72 H100 Br4 N8 O12 -","4","2","","Sibi, Mukund P.; Ma, Zhihua; Itoh, Kennosuke; Prabagaran, Narayanasamy; Jasperse, Craig P.","Enantioselective cycloadditions with alpha,beta-disubstituted acrylimides.","Organic letters","2005","7","12","2349","2352","10.1021/ol050599d","","","0.71073","MoKα","","0.1606","0.0424","","","0.0816","0.1231","","","","","","1.068","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506574","9.6042","0.0019","11.448","0.002","17.97","0.004","90","","91.28","0.03","90","","1975.3","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H25 Br N2 O3 -","- C19 H25.5 Br N2 O3 -","- C76 H102 Br4 N8 O12 -","4","2","","Sibi, Mukund P.; Ma, Zhihua; Itoh, Kennosuke; Prabagaran, Narayanasamy; Jasperse, Craig P.","Enantioselective cycloadditions with alpha,beta-disubstituted acrylimides.","Organic letters","2005","7","12","2349","2352","10.1021/ol050599d","","","0.71073","MoKα","","0.174","0.0456","","","0.0835","0.1165","","","","","","0.979","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506575","12.335","0.003","19.218","0.003","8.483","0.002","90","","90","","90","","2010.9","0.8","183","1","183","1","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 Cl2 F5 O2 P2 Rh -","- C14 H18 Cl2 F5 O2 P2 Rh -","- C56 H72 Cl8 F20 O8 P8 Rh4 -","4","1","","Kashiwabara, Taigo; Kataoka, Kyoko; Hua, Ruimao; Shimada, Shigeru; Tanaka, Masato","CO-retentive addition reactions of fluorinated acid chlorides to alkynes.","Organic letters","2005","7","11","2241","2244","10.1021/ol050632w","","","0.7107","MoKα","","0.0474","0.0468","","","0.1571","0.1578","","","","","","1.094","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506576","11.7815","0.0007","10.3316","0.0006","12.8152","0.0008","90","","114.146","0.001","90","","1423.41","0.15","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 Cl O2 -","- C16 H21 Cl O2 -","- C64 H84 Cl4 O8 -","4","1","","Harmata, Michael; Lee, Dong Reyoul; Barnes, Charles L.","Stereospecific synthesis of dienones via a torquoselective retro-Nazarov reaction.","Organic letters","2005","7","9","1881","1883","10.1021/ol050657v","","","0.71073","MoKα","","0.0409","0.034","","","0.0869","0.0911","","","","","","1.043","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506577","7.5148","0.0007","21.084","0.002","10.2821","0.001","90","","108.583","0.002","90","","1544.2","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 Cl O2 -","- C17 H23 Cl O2 -","- C68 H92 Cl4 O8 -","4","1","","Harmata, Michael; Lee, Dong Reyoul; Barnes, Charles L.","Stereospecific synthesis of dienones via a torquoselective retro-Nazarov reaction.","Organic letters","2005","7","9","1881","1883","10.1021/ol050657v","","","0.71073","MoKα","","0.0566","0.0403","","","0.0893","0.0961","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506578","6.5285","0.0008","10.708","0.0014","16.894","0.002","101.409","0.002","100.481","0.002","94.819","0.002","1129.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H38 O2 Si -","- C25 H38 O2 Si -","- C50 H76 O4 Si2 -","2","1","","Zimmerman, Howard E.; Cheng, Jie","Control of proton transfer: intramolecular vs intermolecular.","Organic letters","2005","7","13","2595","2597","10.1021/ol0506617","","","0.71073","MoKα","","0.0559","0.0459","","","0.1202","0.1328","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506579","7.724","0.003","8.59","0.003","14.83","0.005","82.446","0.008","77.047","0.007","77.608","0.007","933","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Methyl 5,5-diethoxy-6-(-3-ethoxy-1-nitro-3-oxopropyl)- 2-hydroxycyclohexa-1,3-dienecarboxylate","","- C17 H25 N O9 -","- C17 H25 N O9 -","- C34 H50 N2 O18 -","2","1","","Grecian, Scott; Wrobleski, Aaron D.; Aubé, Jeffrey","Regioselective single and double conjugate additions to substituted cyclohexa-2,5-dienone monoacetals.","Organic letters","2005","7","15","3167","3170","10.1021/ol050715c","","","0.71073","MoKα","","0.0469","0.0415","","","0.1107","0.1154","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506580","8.978","0.003","12.641","0.004","18.581","0.006","80.985","0.007","88.934","0.007","87.825","0.007","2081.1","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Methyl 5,5-diethoxy-6-(-3-ethoxy-1-nitro-3-oxopropyl)- 1-methyl-2-oxocyclohex-3-enecarboxylate","","- C18 H27 N O9 -","- C18 H27 N O9 -","- C72 H108 N4 O36 -","4","2","","Grecian, Scott; Wrobleski, Aaron D.; Aubé, Jeffrey","Regioselective single and double conjugate additions to substituted cyclohexa-2,5-dienone monoacetals.","Organic letters","2005","7","15","3167","3170","10.1021/ol050715c","","","0.71073","MoKα","","0.0528","0.0466","","","0.1256","0.1317","","","","","","1.035","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506581","8.672","0.003","9.175","0.003","13.996","0.005","83.3","0.007","76.978","0.007","81.591","0.007","1069.2","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 9,9-diethoxy-3-methyl-7-oxo-6-(phenylcarbamoyl)- 2-oxa-bicyclo[3.3.1]non-3-ene-4-carboxylate","","- C23 H29 N O7 -","- C23 H29 N O7 -","- C46 H58 N2 O14 -","2","1","","Grecian, Scott; Wrobleski, Aaron D.; Aubé, Jeffrey","Regioselective single and double conjugate additions to substituted cyclohexa-2,5-dienone monoacetals.","Organic letters","2005","7","15","3167","3170","10.1021/ol050715c","","","0.71073","MoKα","","0.0414","0.0374","","","0.0961","0.0989","","","","","","1.005","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506582","8.4839","0.0012","11.9599","0.0018","19.058","0.003","74.294","0.003","89.534","0.004","89.004","0.004","1861.3","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Ethyl 9,9-dimethoxy-6-(2-nitrophenyl)-3,7- dioxobicyclo[3.3.1]nonane-2-carboxylate","","- C20 H23 N O8 -","- C20 H23 N O8 -","- C80 H92 N4 O32 -","4","2","","Grecian, Scott; Wrobleski, Aaron D.; Aubé, Jeffrey","Regioselective single and double conjugate additions to substituted cyclohexa-2,5-dienone monoacetals.","Organic letters","2005","7","15","3167","3170","10.1021/ol050715c","","","0.71073","MoKα","","0.0443","0.04","","","0.1086","0.1119","","","","","","1.023","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506583","10.5188","0.0012","14.2466","0.0016","14.9179","0.0016","90","","108.088","0.003","90","","2125.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 9,9-diethoxy-3,7-dioxo-5- (phenylcarbamoyl)bicyclo[3.3.1]nonane-2-carboxylate","","- C23 H29 N O7 -","- C23 H29 N O7 -","- C92 H116 N4 O28 -","4","1","","Grecian, Scott; Wrobleski, Aaron D.; Aubé, Jeffrey","Regioselective single and double conjugate additions to substituted cyclohexa-2,5-dienone monoacetals.","Organic letters","2005","7","15","3167","3170","10.1021/ol050715c","","","0.71073","MoKα","","0.0383","0.0353","","","0.0943","0.0968","","","","","","1.04","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506584","14.9026","0.0016","16.6125","0.0017","7.8304","0.0008","90","","94.235","0.002","90","","1933.3","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N2 O -","- C22 H28 N2 O -","- C88 H112 N8 O4 -","4","1","","Movassaghi, Mohammad; Schmidt, Michael A.","N-heterocyclic carbene-catalyzed amidation of unactivated esters with amino alcohols.","Organic letters","2005","7","12","2453","2456","10.1021/ol050773y","","","0.71073","MoKα","","0.0637","0.0471","","","0.1036","0.112","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506585","9.871","0.004","10.243","0.004","16.997","0.007","90","","90.397","0.007","90","","1718.5","1.2","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H19 Cl -","- C22 H19 Cl -","- C88 H76 Cl4 -","4","2","","Kabalka, George W.; Yao, Min-Liang; Borella, Scott; Wu, Zhong-Zhi","Substitution of benzylic hydroxyl groups with vinyl moieties using vinylboron dihalides.","Organic letters","2005","7","14","2865","2867","10.1021/ol050778v","","","0.71073","MoKα","","0.0613","0.0501","","","0.1207","0.1313","","","","","","1.029","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506586","6.2725","0.0001","10.1448","0.0003","31.1819","0.0005","90","","90","","90","","1984.21","0.07","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H13 F7 N2 O2 S -","- C21 H13 F7 N2 O2 S -","- C84 H52 F28 N8 O8 S4 -","4","1","","Carreño, M Carmen; García, Isabel; Ribagorda, María; Merino, Estíbaliz; Pieraccini, Silvia; Spada, Gian Piero","Enantiopure sulfinyl azobenzenes as chiroptical switches.","Organic letters","2005","7","14","2869","2872","10.1021/ol050789o","","","1.54178","CuKα","","0.0466","0.0442","","","0.1093","0.1116","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506587","11.739","0.0002","9.94","0.0002","31.993","0.0006","90","","90","","90","","3733.12","0.12","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H30 O6 -","- C18 H30 O6 -","- C144 H240 O48 -","8","1","","Denekamp, C.; Gottlieb, L.; Tamiri, T.; Tsoglin, A.; Shilav, R.; Kapon, M.","Two separable conformers of TATP and analogues exist at room temperature.","Organic letters","2005","7","12","2461","2464","10.1021/ol050801c","","","0.71073","MoKα","","0.0654","0.0378","","","0.0936","0.0989","","","","","","0.886","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506588","10.937","0.004","11.046","0.004","16.161","0.006","88.315","0.007","79.184","0.008","88.986","0.008","1916.8","1.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H24 N2 O -","- C23 H24 N2 O -","- C92 H96 N8 O4 -","4","2","","Clayden, Jonathan; Turner, Hazel; Pickworth, Mark; Adler, Thomas","Ring-selective functionalization of N,N'-diarylureas by regioselective N-alkylation and directed ortho metalation.","Organic letters","2005","7","15","3147","3150","10.1021/ol0508025","","","0.71073","MoKα","","0.1865","0.0634","","","0.1321","0.1646","","","","","","0.761","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506589","13.118","0.003","31.435","0.008","7.245","0.001","90","","90","","90","","2987.6","1.1","290","2","290","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C31 H54 O3 -","- C31 H52 O3 -","- C124 H208 O12 -","4","1","","Cai, Xiang-Hai; Luo, Xiao-Dong; Zhou, Jun; Hao, Xiao-Jiang","Compound representatives of a new type of triterpenoid from Aglaia odorata.","Organic letters","2005","7","14","2877","2879","10.1021/ol050805h","","","0.71073","MoKα","","0.1609","0.0621","","","0.1272","0.1451","","","","","","0.94","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506590","15.6736","0.0016","11.2374","0.0011","28.466","0.003","90","","103.342","0.002","90","","4878.4","0.9","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C53 H53 Cl O4 P2 Pd Si2 -","- C53 H53 Cl O4 P2 Pd Si2 -","- C212 H212 Cl4 O16 P8 Pd4 Si8 -","4","2","","Ogasawara, Masamichi; Ngo, Helen L.; Sakamoto, Takeshi; Takahashi, Tamotsu; Lin, Wenbin","Applications of 4,4'-(Me3Si)2-BINAP in transition-metal-catalyzed asymmetric carbon-carbon bond-forming reactions.","Organic letters","2005","7","14","2881","2884","10.1021/ol050834s","","","0.71073","MoKα","","0.1299","0.081","","","0.1231","0.1399","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506591","10.692","0.004","11.712","0.005","16.162","0.006","91.492","0.008","99.888","0.008","99.806","0.008","1961.5","1.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H3 F15 O Si -","- C19 H3 F15 O Si -","- C76 H12 F60 O4 Si4 -","4","2","","Dilman, Alexander D.; Belyakov, Pavel A.; Korlyukov, Alexander A.; Struchkova, Marina I.; Tartakovsky, Vladimir A.","Synthesis of pentafluorophenylmethylamines via silicon Mannich reaction.","Organic letters","2005","7","14","2913","2915","10.1021/ol050845l","","","0.71073","MoKα","","0.0666","0.0474","","","0.102","0.111","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506592","6.1898","0.0011","13.115","0.002","18.506","0.003","90","","90","","90","","1502.3","0.4","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 F5 N O -","- C17 H14 F5 N O -","- C68 H56 F20 N4 O4 -","4","1","","Dilman, Alexander D.; Belyakov, Pavel A.; Korlyukov, Alexander A.; Struchkova, Marina I.; Tartakovsky, Vladimir A.","Synthesis of pentafluorophenylmethylamines via silicon Mannich reaction.","Organic letters","2005","7","14","2913","2915","10.1021/ol050845l","","","0.71073","MoKα","","0.0709","0.0527","","","0.1112","0.1178","","","","","","0.991","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506593","16.846","0.008","18.842","0.008","11.732","0.005","90","","121.761","0.005","90","","3166","2","273","2","273","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H26 O4 -","- C17 H26 O4 -","- C136 H208 O32 -","8","1","","Li, Wei-Dong Z; Gao, Zhang-Hua","A novel stereocontrolled approach to eudesmanolides: total synthesis of (+/-)-gallicadiol and (+/-)-isogallicadiol.","Organic letters","2005","7","14","2917","2920","10.1021/ol050850p","","","0.71073","MoKα","","0.0475","0.0375","","","0.0988","0.1048","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506594","9.757","0.009","10.998","0.008","16.41","0.02","98.73","0.08","91.47","0.07","101.8","0.07","1701","3","93.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H53 B F4 I O6 -","- C31 H30 B F4 I O6 -","- C62 H60 B2 F8 I2 O12 -","2","1","","Ochiai, Masahito; Suefuji, Takashi; Miyamoto, Kazunori; Shiro, Motoo","Effects of complexation with 18-crown-6 on the hypernucleofugality of phenyl-lambda3-iodanyl groups. Synthesis of vinyl-lambda3-iodane.18-crown-6 complex.","Organic letters","2005","7","14","2893","2896","10.1021/ol050858z","","","0.7107","MoKα","","","0.083","","","","0.22","","","","","","1.472","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506595","7.8623","0.0001","15.1731","0.0002","17.1191","0.0003","74.7278","0.0007","85.9386","0.0007","84.9098","0.0007","1959.95","0.05","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H50 N2 Si -","- C46 H50 N2 Si2 -","- C92 H100 N4 Si4 -","2","1","","Swartz, Christopher R.; Parkin, Sean R.; Bullock, Joseph E.; Anthony, John E.; Mayer, Alex C.; Malliaras, George G.","Synthesis and characterization of electron-deficient pentacenes.","Organic letters","2005","7","15","3163","3166","10.1021/ol050872b","","","0.71073","MoKα","","0.074","0.0611","","","0.1396","0.1438","","","","","","1.234","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506596","25.6777","0.0006","7.359","0.0002","22.1035","0.0006","90","","97.9757","0.0012","90","","4136.32","0.19","90","0.2","90","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H50 N4 Si2 -","- C48 H50 N4 Si2 -","- C192 H200 N16 Si8 -","4","0.5","","Swartz, Christopher R.; Parkin, Sean R.; Bullock, Joseph E.; Anthony, John E.; Mayer, Alex C.; Malliaras, George G.","Synthesis and characterization of electron-deficient pentacenes.","Organic letters","2005","7","15","3163","3166","10.1021/ol050872b","","","0.71073","MoKα","","0.1084","0.0506","","","0.1043","0.1235","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506597","9.1268","0.0002","13.829","0.0003","16.6202","0.0004","72.3531","0.001","83.9322","0.0009","87.7702","0.0009","1987.75","0.08","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H52 Br2 Si2 -","- C44 H52 Br2 Si2 -","- C88 H104 Br4 Si4 -","2","1","","Swartz, Christopher R.; Parkin, Sean R.; Bullock, Joseph E.; Anthony, John E.; Mayer, Alex C.; Malliaras, George G.","Synthesis and characterization of electron-deficient pentacenes.","Organic letters","2005","7","15","3163","3166","10.1021/ol050872b","","","0.71073","MoKα","","0.0842","0.049","","","0.1126","0.1268","","","","","","1.021","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506598","7.5485","0.0002","7.7478","0.0003","16.8801","0.0006","89.4411","0.0013","78.6534","0.0014","87.0802","0.0012","966.67","0.06","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H50 F4 Si2 -","- C44 H50 F4 Si2 -","- C44 H50 F4 Si2 -","1","0.5","","Swartz, Christopher R.; Parkin, Sean R.; Bullock, Joseph E.; Anthony, John E.; Mayer, Alex C.; Malliaras, George G.","Synthesis and characterization of electron-deficient pentacenes.","Organic letters","2005","7","15","3163","3166","10.1021/ol050872b","","","0.71073","MoKα","","0.0988","0.0711","","","0.1669","0.1768","","","","","","1.622","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506599","7.7182","0.0003","15.5451","0.0005","16.8752","0.0007","102.247","0.0014","92.6664","0.0015","91.5455","0.0015","1975.07","0.13","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H46 F8 Si2 -","- C44 H46 F8 Si2 -","- C88 H92 F16 Si4 -","2","1","","Swartz, Christopher R.; Parkin, Sean R.; Bullock, Joseph E.; Anthony, John E.; Mayer, Alex C.; Malliaras, George G.","Synthesis and characterization of electron-deficient pentacenes.","Organic letters","2005","7","15","3163","3166","10.1021/ol050872b","","","0.71073","MoKα","","0.1176","0.062","","","0.1439","0.1681","","","","","","1.019","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506600","8.675","0.0002","17.632","0.0004","14.657","0.0003","90","","105.824","0.0008","90","","2156.94","0.08","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H50 Br4 Si2 -","- C44 H50 Br4 Si2 -","- C88 H100 Br8 Si4 -","2","0.5","","Swartz, Christopher R.; Parkin, Sean R.; Bullock, Joseph E.; Anthony, John E.; Mayer, Alex C.; Malliaras, George G.","Synthesis and characterization of electron-deficient pentacenes.","Organic letters","2005","7","15","3163","3166","10.1021/ol050872b","","","0.71073","MoKα","","0.1068","0.0575","","","0.1342","0.1533","","","","","","1.024","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506601","7.5381","0.0009","8.2908","0.001","17.803","0.002","90","","90","","90","","1112.6","0.2","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H15 N O4 -","- C10 H15 N O4 -","- C40 H60 N4 O16 -","4","1","","Reddy, Leleti Rajender; Saravanan, P.; Fournier, Jean-François; Subba Reddy, B. V.; Corey, E. J.","Simple enantiospecific syntheses of the C(2)-diastereomers of omuralide and 3-methylomuralide.","Organic letters","2005","7","13","2703","2705","10.1021/ol050874w","","","0.71073","MoKα","","0.0419","0.0367","","","0.0995","0.1019","","","","","","1.067","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506602","6.4186","0.001","11.8863","0.0013","31.835","0.003","90","","90","","90","","2428.8","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[(2S,4S,5R)-5-phenyl-4-(phenylsulfonyl) tetrahydro-2-furanyl]methyl (-)-camphanate","[(2S,4S,5R)-5-phenyl-4-(phenylsulfonyl)tetrahydro-2-furanyl] methyl(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo [2.2.1]heptane-1-carboxylate","","- C27 H30 O7 S -","- C27 H30 O7 S -","- C108 H120 O28 S4 -","4","1","","Makosza, Mieczysław; Barbasiewicz, Michał; Krajewski, Dariusz","Diastereoselective synthesis of tetrahydrofurans via reaction of gamma,delta-epoxycarbanions with aldehydes.","Organic letters","2005","7","14","2945","2948","10.1021/ol0509080","","","0.71073","MoKα","","0.052","0.0383","","","0.0676","0.0718","","","","","","0.962","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506603","6.0067","0.0004","11.6597","0.001","35.632","0.005","90","","90","","90","","2495.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","[(2S,4R,5S)-5-phenyl-4-(phenylsulfonyl) tetrahydro-2-furanyl]methyl (-)-camphanate","[(2S,4R,5S)-5-phenyl-4-(phenylsulfonyl)tetrahydro-2-furanyl] methyl (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1] heptane-1-carboxylate","","- C27 H30 O7 S -","- C27 H30 O7 S -","- C108 H120 O28 S4 -","4","1","","Makosza, Mieczysław; Barbasiewicz, Michał; Krajewski, Dariusz","Diastereoselective synthesis of tetrahydrofurans via reaction of gamma,delta-epoxycarbanions with aldehydes.","Organic letters","2005","7","14","2945","2948","10.1021/ol0509080","","","1.54184","CuKα","","0.1378","0.0553","","","0.1235","0.1545","","","","","","1.025","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506604","22.936","0.0005","9.075","0.0002","21.087","0.0006","90","","111.338","0.001","90","","4088.26","0.17","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H19 Br O3 S -","- C23 H19 Br O3 S -","- C184 H152 Br8 O24 S8 -","8","1","","Yamaguchi, Torahiko; Yamamoto, Yohsuke; Fujiwara, Yoshihisa; Tanimoto, Yoshifumi","Evidence for a transition state model compound of in-plane vinylic SN2 reaction.","Organic letters","2005","7","13","2739","2742","10.1021/ol050961o","","","0.71069","MoKα","","0.0906","0.0666","","","0.2392","0.2594","","","","","","2.005","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506605","14.1517","0.0004","11.8995","0.0003","24.3178","0.0005","90","","92.786","0.001","90","","4090.23","0.18","140","1","140","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C57 H38 N4 Zn -","- C57.1 H30.25 N4 Zn -","- C228.4 H121 N16 Zn4 -","4","1","","Cammidge, Andrew N.; Scaife, Peter J.; Berber, Gûlen; Hughes, David L.","Cofacial porphyrin-ferrocene dyads and a new class of conjugated porphyrin.","Organic letters","2005","7","16","3413","3416","10.1021/ol050962g","","x-ray","0.71073","MoKα","","0.0574","0.0418","","","0.1052","0.1157","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506606","7.566","0.0014","12.748","0.002","13.632","0.003","90","","90","","90","","1314.8","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O6 -","- C14 H16 O6 -","- C56 H64 O24 -","4","1","","Koo, Bonsuk; McDonald, Frank E.","Synthesis of the branched C-glycoside substructure of altromycin B.","Organic letters","2005","7","17","3621","3624","10.1021/ol050975u","","","1.54178","CuKα","","0.0366","0.0336","","","0.0814","0.0842","","","","","","1.148","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506607","8.2807","0.0005","12.6741","0.0008","15.0669","0.0009","90","","90","","90","","1581.28","0.17","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O7 -","- C16 H22 O7 -","- C64 H88 O28 -","4","1","","Koo, Bonsuk; McDonald, Frank E.","Synthesis of the branched C-glycoside substructure of altromycin B.","Organic letters","2005","7","17","3621","3624","10.1021/ol050975u","","","0.71073","MoKα","","0.0408","0.0375","","","0.0835","0.0849","","","","","","1.012","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506608","8.7351","0.0007","18.9978","0.0016","18.1131","0.0016","90","","95.539","0.002","90","","2991.8","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(1-(2-nitrobenzyl)-1,4,8,11-tetraaza-cyclotetradecane)nickel(II)ditriflate","","- C20 H33 F6 N5 Ni O9 S2 -","- C20 H33 F6 N5 Ni O9 S2 -","- C80 H132 F24 N20 Ni4 O36 S8 -","4","1","","Boiocchi, Massimo; Fabbrizzi, Luigi; Foti, Francesco; Monzani, Enrico; Poggi, Antonio","Dramatically enhanced carbon acidity of the nitrobenzyl fragment in a nickel(II) scorpionate complex.","Organic letters","2005","7","16","3417","3420","10.1021/ol050981q","","","0.71073","MoKα","","0.0976","0.0859","","","0.2033","0.2099","","","","","","1.224","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506609","7.1606","0.0001","8.5952","0.0001","11.1713","0.0001","90","","103.787","0.001","90","","667.748","0.014","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 I N O -","- C14 H14 I N O -","- C28 H28 I2 N2 O2 -","2","1","","King, H. Dalton; Meng, Zhaoxing; Denhart, Derek; Mattson, Ronald; Kimura, Roy; Wu, Dedong; Gao, Qi; Macor, John E.","Enantioselective synthesis of a highly potent selective serotonin reuptake inhibitor. An application of imidazolidinone catalysis to the alkylation of indoles with an alpha,beta-disubstituted alpha,beta-unsaturated aldehyde.","Organic letters","2005","7","16","3437","3440","10.1021/ol051000c","","","1.54178","CuKα","","0.0795","0.0792","","","0.2106","0.2115","","","","","","1.06","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506610","9.0617","0.0001","9.9837","0.0001","18.1625","0.0002","90","","90","","90","","1643.15","0.03","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 Cl N3 -","- C17 H22 Cl N3 -","- C68 H88 Cl4 N12 -","4","1","","King, H. Dalton; Meng, Zhaoxing; Denhart, Derek; Mattson, Ronald; Kimura, Roy; Wu, Dedong; Gao, Qi; Macor, John E.","Enantioselective synthesis of a highly potent selective serotonin reuptake inhibitor. An application of imidazolidinone catalysis to the alkylation of indoles with an alpha,beta-disubstituted alpha,beta-unsaturated aldehyde.","Organic letters","2005","7","16","3437","3440","10.1021/ol051000c","","","1.54178","CuKα","","0.0275","0.0272","","","0.0743","0.0746","","","","","","1.056","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506611","10.0462","0.0007","5.387","0.0004","19.6191","0.0014","90","","100.504","0.002","90","","1043.97","0.13","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 Br O5 -","- C23 H23 Br O5 -","- C46 H46 Br2 O10 -","2","1","","Su, Shun; Acquilano, Dayle E.; Arumugasamy, Jeevanandam; Beeler, Aaron B.; Eastwood, Erin L.; Giguere, Joshua R.; Lan, Ping; Lei, Xiaoguang; Min, Geanna K.; Yeager, Adam R.; Zhou, Ya; Panek, James S.; Snyder, John K.; Schaus, Scott E.; Porco, Jr, John A","Convergent synthesis of a complex oxime library using chemical domain shuffling.","Organic letters","2005","7","13","2751","2754","10.1021/ol051023r","","","0.71073","MoKα","","0.0539","0.0384","","","0.0819","0.0869","","","","","","0.964","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506612","13.2845","0.0006","7.8086","0.0004","15.4619","0.0007","90","","101.82","0.001","90","","1569.91","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl2 N O5 -","- C15 H17 Cl2 N O5 -","- C60 H68 Cl8 N4 O20 -","4","1","","Su, Shun; Acquilano, Dayle E.; Arumugasamy, Jeevanandam; Beeler, Aaron B.; Eastwood, Erin L.; Giguere, Joshua R.; Lan, Ping; Lei, Xiaoguang; Min, Geanna K.; Yeager, Adam R.; Zhou, Ya; Panek, James S.; Snyder, John K.; Schaus, Scott E.; Porco, Jr, John A","Convergent synthesis of a complex oxime library using chemical domain shuffling.","Organic letters","2005","7","13","2751","2754","10.1021/ol051023r","","","0.71073","MoKα","","0.0646","0.0538","","","0.1591","0.1665","","","","","","1.275","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506613","7.2933","0.001","8.2345","0.0012","24.418","0.003","90","","90","","90","","1466.5","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N3 O5 -","- C16 H15 N3 O5 -","- C64 H60 N12 O20 -","4","1","","Su, Shun; Acquilano, Dayle E.; Arumugasamy, Jeevanandam; Beeler, Aaron B.; Eastwood, Erin L.; Giguere, Joshua R.; Lan, Ping; Lei, Xiaoguang; Min, Geanna K.; Yeager, Adam R.; Zhou, Ya; Panek, James S.; Snyder, John K.; Schaus, Scott E.; Porco, Jr, John A","Convergent synthesis of a complex oxime library using chemical domain shuffling.","Organic letters","2005","7","13","2751","2754","10.1021/ol051023r","","","0.71073","MoKα","","0.085","0.0519","","","0.0941","0.1045","","","","","","1.027","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506614","10.616","0.003","6.7014","0.0018","10.72","0.003","90","","98.568","0.002","90","","754.1","0.4","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H23 N O S2 -","- C15 H23 N O S2 -","- C30 H46 N2 O2 S4 -","2","1","","Smith, 3rd, Amos B; Kim, Dae-Shik","Total synthesis of the neotropical poison-frog alkaloid (-)-205B.","Organic letters","2005","7","15","3247","3250","10.1021/ol0510264","","","0.71069","MoKα","","0.0417","0.0365","","","0.0818","0.0873","","","","","","0.998","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506615","10.3309","0.0009","9.9971","0.0009","16.1798","0.0015","90","","93.954","0.001","90","","1667.1","0.3","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","MacKay, James A.; Bishop, Raynauld L.; Rawal, Viresh H.","Rapid synthesis of the N-methylwelwitindolinone skeleton.","Organic letters","2005","7","16","3421","3424","10.1021/ol051043t","","","0.71073","MoKα","","0.0929","0.0914","","","0.1678","0.1684","","","","","","1.49","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506616","11.8337","0.0013","17.2263","0.0018","9.9628","0.001","90","","106.88","0.002","90","","1943.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O5 S -","- C20 H21 N O5 S -","- C80 H84 N4 O20 S4 -","4","1","","Shi, Yong-Ling; Shi, Min","DABCO-catalyzed reaction of allenic esters and ketones with salicyl N-tosylimines: synthesis of highly functionalized chromenes.","Organic letters","2005","7","14","3057","3060","10.1021/ol051044l","","","0.71073","MoKα","","0.1008","0.0642","","","0.1617","0.1801","","","","","","0.921","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506617","15.9518","0.0012","12.6973","0.0009","19.0989","0.0013","90","","90","","90","","3868.4","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N O5 S -","- C20 H21 N O5 S -","- C160 H168 N8 O40 S8 -","8","1","","Shi, Yong-Ling; Shi, Min","DABCO-catalyzed reaction of allenic esters and ketones with salicyl N-tosylimines: synthesis of highly functionalized chromenes.","Organic letters","2005","7","14","3057","3060","10.1021/ol051044l","","","0.71073","MoKα","","0.0523","0.0435","","","0.1235","0.129","","","","","","1.069","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506618","6.1618","0.0002","32.2387","0.001","13.1435","0.0004","90","","90.552","0.002","90","","2610.81","0.14","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H36 O12 -","- C25 H36 O12 -","- C100 H144 O48 -","4","2","","Harding, Wayne W.; Tidgewell, Kevin; Schmidt, Matthew; Shah, Kushal; Dersch, Christina M.; Snyder, John; Parrish, Damon; Deschamps, Jeffrey R.; Rothman, Richard B.; Prisinzano, Thomas E.","Salvinicins A and B, new neoclerodane diterpenes from Salvia divinorum.","Organic letters","2005","7","14","3017","3020","10.1021/ol0510522","","","1.54178","CuKα","","0.074","0.0654","","","0.1755","0.1854","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506619","6.3731","0.0006","18.988","0.002","21.365","0.002","90","","90","","90","","2585.4","0.4","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H28 Cl2 O8 -","- C28 H28 Cl2 O8 -","- C112 H112 Cl8 O32 -","4","1","","Harding, Wayne W.; Tidgewell, Kevin; Schmidt, Matthew; Shah, Kushal; Dersch, Christina M.; Snyder, John; Parrish, Damon; Deschamps, Jeffrey R.; Rothman, Richard B.; Prisinzano, Thomas E.","Salvinicins A and B, new neoclerodane diterpenes from Salvia divinorum.","Organic letters","2005","7","14","3017","3020","10.1021/ol0510522","","","1.54178","CuKα","","0.0882","0.0579","","","0.147","0.1677","","","","","","0.997","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506620","16.412","0.001","5.944","0.001","14.762","0.001","90","","95.14","0.01","90","","1434.3","0.3","223","2","223","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H23 N O -","- C15 H23 N O -","- C60 H92 N4 O4 -","4","1","","Bilke, Julia Luzia; Dzuganova, Monika; Fröhlich, Roland; Würthwein, Ernst-Ulrich","Diastereoselective one-step synthesis of functionalized cis-aziridinyl alcohols from oxiranyl carbaldimines.","Organic letters","2005","7","15","3267","3270","10.1021/ol051090l","","","1.54178","CuKα","","0.0493","0.0453","","","0.1278","0.1315","","","","","","1.094","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506621","12.564","0.001","17.312","0.002","15.925","0.001","90","","93.98","0.01","90","","3455.5","0.5","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 N O -","- C19 H23 N O -","- C152 H184 N8 O8 -","8","2","","Bilke, Julia Luzia; Dzuganova, Monika; Fröhlich, Roland; Würthwein, Ernst-Ulrich","Diastereoselective one-step synthesis of functionalized cis-aziridinyl alcohols from oxiranyl carbaldimines.","Organic letters","2005","7","15","3267","3270","10.1021/ol051090l","","","1.54178","CuKα","","0.0768","0.0489","","","0.1373","0.1589","","","","","","1.018","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506622","10.981","0.002","11.422","0.002","13.65","0.002","86.71","0.01","68.26","0.01","76.87","0.01","1548","0.5","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 N O -","- C16 H25 N O -","- C64 H100 N4 O4 -","4","2","","Bilke, Julia Luzia; Dzuganova, Monika; Fröhlich, Roland; Würthwein, Ernst-Ulrich","Diastereoselective one-step synthesis of functionalized cis-aziridinyl alcohols from oxiranyl carbaldimines.","Organic letters","2005","7","15","3267","3270","10.1021/ol051090l","","","1.54178","CuKα","","0.0464","0.0436","","","0.116","0.1193","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506623","5.9338","0.0005","8.0456","0.0007","24.269","0.002","90","","90","","90","","1158.63","0.17","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","04359","","","- C13 H13 N O2 -","- C13 H13 N O2 -","- C52 H52 N4 O8 -","4","1","","Shen, Lichun; Hsung, Richard P.; Zhang, Yanshi; Antoline, Jennifer E.; Zhang, Xuejun","Copper-catalyzed stereospecific N-allenylations of amides. Syntheses of optically enriched chiral allenamides.","Organic letters","2005","7","14","3081","3084","10.1021/ol051094q","","","0.71073","MoKα","","0.0496","0.0361","","","0.0809","0.0869","","","","","","1.039","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506624","12.8162","0.0014","12.8977","0.0011","16.356","0.0015","90","","109.913","0.007","90","","2542","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 O5 -","- C30 H28 O5 -","- C120 H112 O20 -","4","1","","Andrus, Merritt B.; Liu, Jing; Ye, Zhifeng; Cannon, John F.","Asymmetric glycolate aldol reactions using cinchonium phase-transfer catalysts.","Organic letters","2005","7","18","3861","3864","10.1021/ol051096a","","","0.71073","MoKα","","0.096","0.0511","","","0.1101","0.1293","","","","","","0.994","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506625","8.8004","0.0003","12.0028","0.0004","26.0589","0.0008","90","","90","","90","","2752.59","0.16","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 O6 -","- C32 H30 O6 -","- C128 H120 O24 -","4","1","","Andrus, Merritt B.; Liu, Jing; Ye, Zhifeng; Cannon, John F.","Asymmetric glycolate aldol reactions using cinchonium phase-transfer catalysts.","Organic letters","2005","7","18","3861","3864","10.1021/ol051096a","","","1.54178","CuKα","","0.0624","0.0323","","","0.0823","0.116","","","","","","1.281","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506626","9.8452","0.0002","10.5613","0.0003","14.8694","0.0005","104.192","0.002","91.189","0.002","104.922","0.001","1442.54","0.07","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H32 O5 -","- C36 H32 O5 -","- C72 H64 O10 -","2","1","","Andrus, Merritt B.; Liu, Jing; Ye, Zhifeng; Cannon, John F.","Asymmetric glycolate aldol reactions using cinchonium phase-transfer catalysts.","Organic letters","2005","7","18","3861","3864","10.1021/ol051096a","","","1.54178","CuKα","","0.0816","0.0696","","","0.1838","0.1961","","","","","","1.054","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506627","12.2933","0.0004","12.9966","0.0004","15.9109","0.0006","90","","109.518","0.002","90","","2396.02","0.14","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 O6 -","- C28 H26 O6 -","- C112 H104 O24 -","4","1","","Andrus, Merritt B.; Liu, Jing; Ye, Zhifeng; Cannon, John F.","Asymmetric glycolate aldol reactions using cinchonium phase-transfer catalysts.","Organic letters","2005","7","18","3861","3864","10.1021/ol051096a","","","1.54178","CuKα","","0.0454","0.041","","","0.1198","0.1225","","","","","","1.063","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506628","8.3834","0.0005","18.8291","0.0011","10.2686","0.0006","90","","98.088","0.001","90","","1604.79","0.16","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H51 Cl N4 O7 Rh2 -","- C27 H51 Cl N4 O7 Rh2 -","- C54 H102 Cl2 N8 O14 Rh4 -","2","1","","Catino, Arthur J.; Nichols, Jason M.; Forslund, Raymond E.; Doyle, Michael P.","Efficient aziridination of olefins catalyzed by mixed-valent dirhodium(II,III) caprolactamate.","Organic letters","2005","7","13","2787","2790","10.1021/ol0510973","","","0.71073","MoKα","","0.0334","0.0267","","","0.0597","0.0623","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506629","9.322","0.003","28.033","0.01","25.438","0.009","90","","92.491","0.008","90","","6641","4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Cl2 Se -","- C38 H28 Cl2 Se -","- C304 H224 Cl16 Se8 -","8","2","","Shi, Min; Liu, Le-Ping; Tang, Jie","Enynylation of 2-iodo-4-(phenylchalcogenyl)-1-butenes via intramolecular chelation: approach to the synthesis of conjugated dienynes or trienynes.","Organic letters","2005","7","14","3085","3088","10.1021/ol051101a","","","0.71073","MoKα","","0.2273","0.085","","","0.2072","0.2479","","","","","","0.808","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506630","11.602","0.002","10.937","0.002","13.353","0.003","90","","91.68","0.03","90","","1693.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 N2 O4 S -","- C15 H20 N2 O4 S -","- C60 H80 N8 O16 S4 -","4","1","","Shi, Weifeng; Zhang, Bo; Zhang, Jian; Liu, Binge; Zhang, Shiwei; Wang, Jianbo","Stereoselective intramolecular 1,3 C-H insertion in Rh(II) carbene reactions.","Organic letters","2005","7","14","3103","3106","10.1021/ol051130l","","","0.71073","MoKα","","0.0827","0.0425","","","0.0914","0.0989","","","","","","0.928","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506631","9.3162","0.0019","17.8","0.004","9.36","0.0019","90","","107.19","0.03","90","","1482.8","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 O4 S -","- C14 H18 O4 S -","- C56 H72 O16 S4 -","4","1","","Shi, Weifeng; Zhang, Bo; Zhang, Jian; Liu, Binge; Zhang, Shiwei; Wang, Jianbo","Stereoselective intramolecular 1,3 C-H insertion in Rh(II) carbene reactions.","Organic letters","2005","7","14","3103","3106","10.1021/ol051130l","","","0.71073","MoKα","","0.0868","0.054","","","0.1576","0.1729","","","","","","1.003","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506632","9.0592","0.0018","9.6194","0.0019","12.332","0.003","94.17","0.03","104.87","0.03","117.63","0.03","896.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H24 O4 S -","- C18 H24 O4 S -","- C36 H48 O8 S2 -","2","1","","Shi, Weifeng; Zhang, Bo; Zhang, Jian; Liu, Binge; Zhang, Shiwei; Wang, Jianbo","Stereoselective intramolecular 1,3 C-H insertion in Rh(II) carbene reactions.","Organic letters","2005","7","14","3103","3106","10.1021/ol051130l","","","0.71073","MoKα","","0.0652","0.0459","","","0.1275","0.1348","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506633","8.9507","0.0008","25.614","0.002","30.16","0.003","90","","90","","90","","6914.6","1.1","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Br O -","- C16 H19 Br O -","- C320 H380 Br20 O20 -","20","5","","Li, Wei-Dong Z; Yang, Yu-Rong","Unusual cyclopropanation of 9-bromocamphor derivatives: a novel formal C(1)-C(7) bond cleavage of camphor.","Organic letters","2005","7","14","3107","3110","10.1021/ol051141e","","","0.71073","MoKα","","0.1065","0.0427","","","0.0541","0.0628","","","","","","0.908","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506634","7.2349","0.0015","7.3055","0.0015","44.21","0.009","90","","90","","90","","2336.7","0.8","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 Br O2 -","- C11 H19 Br O2 -","- C88 H152 Br8 O16 -","8","2","","Li, Wei-Dong Z; Yang, Yu-Rong","Unusual cyclopropanation of 9-bromocamphor derivatives: a novel formal C(1)-C(7) bond cleavage of camphor.","Organic letters","2005","7","14","3107","3110","10.1021/ol051141e","","","0.71073","MoKα","","0.0921","0.0647","","","0.1417","0.149","","","","","","1.084","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506635","8.333","0.002","9.435","0.002","17.078","0.004","100.347","0.004","94.628","0.004","106.942","0.004","1250.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1a","","","- C25 H14 F6 S6 -","- C25 H14 F6 S6 -","- C50 H28 F12 S12 -","2","1","","Moriyama, Yoshihisa; Matsuda, Kenji; Tanifuji, Naoki; Irie, Setsuko; Irie, Masahiro","Electrochemical cyclization/cycloreversion reactions of diarylethenes.","Organic letters","2005","7","15","3315","3318","10.1021/ol051149o","","","0.71073","MoKα","","0.0963","0.0772","","","0.2052","0.2237","","","","","","1.011","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506636","6.3088","0.0002","12.2906","0.0007","15.0145","0.0009","90","","90","","90","","1164.21","0.1","200","1","200","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O -","- C14 H20 O -","- C56 H80 O4 -","4","1","","Mazzola, Jr, Robert D; White, Timothy D.; Vollmer-Snarr, Heidi R; West, F. G.","Stereoselective Nazarov cyclizations of bridged bicyclic dienones.","Organic letters","2005","7","13","2799","2801","10.1021/ol051169q","","","0.71073","MoKα","","0.0814","0.0537","","","0.113","0.1281","","","","","","1.027","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506637","9.3865","0.0008","21.2279","0.0017","18.8177","0.0015","90","","91.394","0.001","90","","3748.4","0.5","167","2","167","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","compound 4 acetone solvate","4,6,16,18,31,33-hexanitro-2,8,14,20,29,35- hexaoxabicyclocalix[4]arene","","- C36 H24 N6 O20 -","- C36 H24 N6 O20 -","- C144 H96 N24 O80 -","4","0.5","","Katz, Jeffrey L.; Selby, Kevin J.; Conry, Rebecca R.","Single-step synthesis of D3h-symmetric bicyclooxacalixarenes.","Organic letters","2005","7","16","3505","3507","10.1021/ol051180q","","","0.71073","MoKα","","0.0627","0.0559","","","0.1647","0.1712","","","","","","1.071","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506638","15.8519","0.0011","11.8209","0.0008","21.1429","0.0015","90","","105.66","0.001","90","","3814.8","0.5","167","2","167","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","compound 10 ethyl acetate solvate","4,6,16,18,31,33-hexacyano-25,27,36-triaza- 2,8,14,20,29,35-hexaoxabicyclocalix[4]arene","","- C41 H25 N9 O10 -","- C41 H25 N9 O10 -","- C164 H100 N36 O40 -","4","1","","Katz, Jeffrey L.; Selby, Kevin J.; Conry, Rebecca R.","Single-step synthesis of D3h-symmetric bicyclooxacalixarenes.","Organic letters","2005","7","16","3505","3507","10.1021/ol051180q","","","0.71073","MoKα","","0.0594","0.0519","","","0.1476","0.1536","","","","","","1.074","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506639","14.3969","0.0017","7.248","0.0008","19.347","0.002","90","","111.413","0.002","90","","1879.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 Cl2 N2 O3 -","- C19 H20 Cl2 N2 O3 -","- C76 H80 Cl8 N8 O12 -","4","1","","Clayden, Jonathan; Hamilton, Stuart D.; Mohammed, Rukhsana T.","Cyclization of lithiated pyridine and quinoline carboxamides: synthesis of partially saturated pyrrolopyridines and spirocyclic beta-lactams.","Organic letters","2005","7","17","3673","3676","10.1021/ol051214u","","","0.71073","MoKα","","0.0565","0.0398","","","0.0914","0.1091","","","","","","0.956","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506640","9.873","0.001","12.734","0.001","13.85","0.002","88.64","0.01","89.51","0.01","86.93","0.01","1738.2","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H34 S4 Si2 -","- C38 H34 S4 Si2 -","- C76 H68 S8 Si4 -","2","1","","Nicolas, Yohann; Blanchard, Philippe; Roncali, Jean; Allain, Magali; Mercier, Nicolas; Deman, Anne-Laure; Tardy, Jacques","Synthesis of a thermally stable hybrid acene-thiophene organic semiconductor via a soluble precursor.","Organic letters","2005","7","16","3513","3516","10.1021/ol051224v","","","0.71073","MoKα","","0.1073","0.0393","","","0.0731","0.0911","","","","","","0.863","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506641","10.464","0.002","20.06","0.002","42.729","0.006","90","","95.82","0.02","90","","8923","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H57 S3 Si6 -","- C30 H57 S3 Si6 -","- C240 H456 S24 Si48 -","8","1","","Nicolas, Yohann; Blanchard, Philippe; Roncali, Jean; Allain, Magali; Mercier, Nicolas; Deman, Anne-Laure; Tardy, Jacques","Synthesis of a thermally stable hybrid acene-thiophene organic semiconductor via a soluble precursor.","Organic letters","2005","7","16","3513","3516","10.1021/ol051224v","","","0.71073","MoKα","","0.2826","0.1654","","","0.3702","0.4351","","","","","","0.937","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506642","7.259","0.002","11.372","0.004","12.832","0.006","115.87","0.03","100.92","0.03","95.2","0.03","917.7","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H9 N9 O3 -","- C18 H9 N9 O3 -","- C36 H18 N18 O6 -","2","1","","Chang, Tsu-Hsin; Wu, Bi-Ru; Chiang, Michael Y.; Liao, Su-Chih; Ong, Chi Wi; Hsu, Hsiu-Fu; Lin, Shu-Yu","Synthesis and mesomorphic behavior of a donor-acceptor-type hexaazatriphenylene.","Organic letters","2005","7","19","4075","4078","10.1021/ol051231j","","","0.71073","MoKα","","0.1638","0.0513","","","0.1364","0.1831","","","","","","0.995","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506643","6.2361","0.0012","9.666","0.002","25.314","0.005","90","","90","","90","","1525.9","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O5 -","- C14 H25 N O5 -","- C56 H100 N4 O20 -","4","1","","Cren, Sylvaine; Wilson, Claire; Thomas, Neil R.","A rapid synthesis of hexofuranose-like iminosugars using ring-closing metathesis.","Organic letters","2005","7","16","3521","3523","10.1021/ol051232b","","","0.71073","MoKα","","0.059","0.0536","","","0.1374","0.1419","","","","","","1.165","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506644","9.6372","0.0012","12.27","0.002","10.3017","0.0013","90","","91.837","0.002","90","","1217.5","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O -","- C16 H17 N O -","- C64 H68 N4 O4 -","4","1","","Baudoux, Jérôme; Blake, Alexander J.; Simpkins, Nigel S.","Rapid access to the Welwitindolinone alkaloid skeleton by cyclization of indolecarboxaldehyde substituted cyclohexanones.","Organic letters","2005","7","19","4087","4089","10.1021/ol051239t","","","0.71073","MoKα","","0.0483","0.0428","","","0.12","0.125","","","","","","1.06","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506645","10.4622","0.0016","24.02","0.004","10.5456","0.0017","90","","99.629","0.004","90","","2612.8","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N O3 P -","- C30 H28 N O3 P -","- C120 H112 N4 O12 P4 -","4","1","","Wipf, Peter; Pierce, Joshua G.","Synthesis of homoallylic amines by hydrozirconation-imine addition of allenes.","Organic letters","2005","7","16","3537","3540","10.1021/ol051266j","","","0.71073","MoKα","","0.2941","0.2114","","","0.3576","0.399","","","","","","1.156","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506646","10.9347","0.0005","13.4323","0.0006","19.5642","0.0009","90.802","0.001","90.893","0.001","105.947","0.001","2762.1","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 N O P Si -","- C28 H36 N O P Si -","- C112 H144 N4 O4 P4 Si4 -","4","2","","Wipf, Peter; Pierce, Joshua G.","Synthesis of homoallylic amines by hydrozirconation-imine addition of allenes.","Organic letters","2005","7","16","3537","3540","10.1021/ol051266j","","","0.71073","MoKα","","0.1128","0.0644","","","0.1601","0.1745","","","","","","1.135","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506647","5.52","0.003","8.698","0.004","16.224","0.007","90","","98.12","0.007","90","","771.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H12 N2 O3 -","- C7 H12 N2 O3 -","- C28 H48 N8 O12 -","4","1","","Moon, Bongjin; Han, Sangbae; Kim, Dohyung","Efficient synthesis of highly functionalized cyclic aminimides.","Organic letters","2005","7","15","3359","3361","10.1021/ol051270v","","","0.71073","MoKα","","0.1351","0.0799","","","0.1549","0.1774","","","","","","1.066","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506648","6.8895","0.0014","7.8323","0.0016","16.708","0.004","90","","90","","90","","901.6","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H11 O4 P -","- C8 H11 O4 P -","- C32 H44 O16 P4 -","4","1","","Whitehead, Alan; McReynolds, Matthew D.; Moore, Joel D.; Hanson, Paul R.","Multivalent activation in temporary phosphate tethers: a new tether for small molecule synthesis.","Organic letters","2005","7","15","3375","3378","10.1021/ol0512886","","","0.71073","MoKα","","0.0296","0.0292","","","0.0994","0.1012","","","","","","1.053","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506649","12.77","0.01","17.9","0.02","9.388","0.005","97.01","0.06","98.04","0.05","98.57","0.07","2079","3","298.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H54 N2 O4 S4 -","- C40 H54 N2 O4 S4 -","- C80 H108 N4 O8 S8 -","2","1","","Takahashi, Toshiaki; Takimiya, Kazuo; Otsubo, Tetsuo; Aso, Yoshio","Synthesis and spectral properties of a highly soluble push-pull type of quinoidal thiophenes.","Organic letters","2005","7","20","4313","4316","10.1021/ol0513037","","","0.7107","MoKα","","","0.06","","","","0.281","","","","","","0.817","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506650","13.6057","0.0009","19.0409","0.0012","14.9447","0.001","90","","102.454","0.001","90","","3780.5","0.4","190","2","190","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H33 N9 O10 -","- C39 H33 N9 O10 -","- C156 H132 N36 O40 -","4","1","","Degenhardt, 3rd, Charles F; Lavin, Judith M.; Smith, Mark D.; Shimizu, Ken D.","Conformationally imprinted receptors: atropisomers with ""write"", ""save"", and ""erase"" recognition properties.","Organic letters","2005","7","19","4079","4081","10.1021/ol051325t","","","0.71073","MoKα","","0.0654","0.0457","","","0.1016","0.1087","","","","","","1.008","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506651","8.809","0.004","18.028","0.008","10.368","0.005","90","","96.8388","0.0019","90","","1634.8","1.3","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","5,6-dichloro-2-[2-(phenylazo)phenyl] -1,3,2-Benzodioxaborole","5,6-dichloro-2-[2-(phenylazo)phenyl] -1,3,2-Benzodioxaborole","","- C18 H11 B Cl2 N2 O2 -","- C18 H11 B Cl2 N2 O2 -","- C72 H44 B4 Cl8 N8 O8 -","4","2","","Kano, Naokazu; Yoshino, Junro; Kawashima, Takayuki","Photoswitching of the Lewis acidity of a catecholborane bearing an azo group based on the change in coordination number of boron.","Organic letters","2005","7","18","3909","3911","10.1021/ol051337e","","","0.7107","MoKα","","0.0745","0.0453","","","0.0807","0.0939","","","","","","0.898","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506652","14.5655","0.0005","16.5819","0.0005","7.9981","0.0002","90","","93.485","0.001","90","","1928.16","0.1","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H14 Br2 -","- C25 H14 Br2 -","- C100 H56 Br8 -","4","1","","Chiang, Chih-Long; Shu, Ching-Fong; Chen, Chin-Ti","Improved synthesis of 2,2'-dibromo-9,9'-spirobifluorene and its 2,2'-bisdonor-7,7'-bisacceptor-substituted fluorescent derivatives.","Organic letters","2005","7","17","3717","3720","10.1021/ol0513591","","","0.71073","MoKα","","0.0623","0.0476","","","0.1268","0.1349","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506653","21.018","0.006","8.137","0.003","18.221","0.004","90","","119.049","0.012","90","","2724.2","1.4","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-(4-methoxy-2,6-dimethyl-phenyl)-3,5-dimethyl-pyridin-1-ol","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C128 H152 N8 O16 -","8","1","","Kang, Hu; Facchetti, Antonio; Stern, Charlotte L.; Rheingold, Arnold L.; Kassel, W. Scott; Marks, Tobin J.","Efficient synthesis and structural characteristics of zwitterionic twisted pi-electron system biaryls.","Organic letters","2005","7","17","3721","3724","10.1021/ol051365x","","","0.71073","MoKα","","0.0653","0.0525","","","0.142","0.1552","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506654","21.927","0.006","29.244","0.004","8.089","0.002","90","","90","","90","","5187","2","153","2","153","2","","","","","","","","4","F d d 2","F 2 -2d","43","","4-(3,5-dimethyl-pyridin-4-yl)-3,5-dimethyl-phenol","","- C15 H17 N O -","- C15 H17 N O -","- C240 H272 N16 O16 -","16","1","","Kang, Hu; Facchetti, Antonio; Stern, Charlotte L.; Rheingold, Arnold L.; Kassel, W. Scott; Marks, Tobin J.","Efficient synthesis and structural characteristics of zwitterionic twisted pi-electron system biaryls.","Organic letters","2005","7","17","3721","3724","10.1021/ol051365x","","","0.71073","MoKα","","0.0431","0.0381","","","0.0982","0.1023","","","","","","1.067","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506655","12.834","0.002","17.241","0.003","7.9026","0.0013","90","","100.799","0.011","90","","1717.6","0.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-Methoxy-2,6-dimethyl-phenyl)-1,3,5-trimethyl-pyridinium iodide","","- C17 H22 I N O -","- C17 H22 I N O -","- C68 H88 I4 N4 O4 -","4","1","","Kang, Hu; Facchetti, Antonio; Stern, Charlotte L.; Rheingold, Arnold L.; Kassel, W. Scott; Marks, Tobin J.","Efficient synthesis and structural characteristics of zwitterionic twisted pi-electron system biaryls.","Organic letters","2005","7","17","3721","3724","10.1021/ol051365x","","","0.71073","MoKα","","0.0381","0.0288","","","0.0659","0.072","","","","","","1.067","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506656","27.251","0.007","11.561","0.0018","11.868","0.003","90","","109.661","0.015","90","","3521","1.4","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(4-Hydroxy-2,6-dimethyl-phenyl)-1,3,5-trimethyl-pyridinium iodide","","- C16 H22 I N O2 -","- C16 H22 I N O2 -","- C128 H176 I8 N8 O16 -","8","1","","Kang, Hu; Facchetti, Antonio; Stern, Charlotte L.; Rheingold, Arnold L.; Kassel, W. Scott; Marks, Tobin J.","Efficient synthesis and structural characteristics of zwitterionic twisted pi-electron system biaryls.","Organic letters","2005","7","17","3721","3724","10.1021/ol051365x","","","0.71073","MoKα","","0.0455","0.032","","","0.0756","0.084","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506657","12.235","0.0007","12.985","0.0007","12.7805","0.0007","90","","110.207","0.0008","90","","1905.48","0.18","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","3,5-dimethyl-4-(1,3,5-trimethyl-1H-pyridin-4-ylidene)-cyclohexa-2,5-Dienone","","- C17 H23 I N Na O2 -","- C17 H23 I N Na O2 -","- C68 H92 I4 N4 Na4 O8 -","4","1","","Kang, Hu; Facchetti, Antonio; Stern, Charlotte L.; Rheingold, Arnold L.; Kassel, W. Scott; Marks, Tobin J.","Efficient synthesis and structural characteristics of zwitterionic twisted pi-electron system biaryls.","Organic letters","2005","7","17","3721","3724","10.1021/ol051365x","","","0.71073","MoKα","","0.0275","0.0236","","","0.0605","0.0634","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506658","14.551","0.002","15.697","0.003","18.554","0.003","90","","103.107","0.002","90","","4127.5","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-di-tert-butyl-4-{2-[4-(3,5-dimethyl-1-octyl-1H-pyridin-4-ylidene)-3,5-dimethyl-cyclohexa-2,5-dienylidene]-ethylidene}-cyclohexa-2,5-dienone","","- C42 H64 N O4 -","- C42 H55 N O4 -","- C168 H220 N4 O16 -","4","1","","Kang, Hu; Facchetti, Antonio; Stern, Charlotte L.; Rheingold, Arnold L.; Kassel, W. Scott; Marks, Tobin J.","Efficient synthesis and structural characteristics of zwitterionic twisted pi-electron system biaryls.","Organic letters","2005","7","17","3721","3724","10.1021/ol051365x","","","0.71073","MoKα","","0.0981","0.0788","","","0.2067","0.22","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506659","16.905","0.003","6.1078","0.0007","15.42","0.003","90","","114.336","0.015","90","","1450.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Br N O3 S -","- C13 H16 Br N O3 S -","- C52 H64 Br4 N4 O12 S4 -","4","1","","Yu, Chan-Mo; Youn, Jinsuop; Lee, Min-Kyoung","Regulation of stereoselectivity using Lewis acid in the cyclization of allenic aldehydes catalyzed by palladium complex.","Organic letters","2005","7","17","3733","3736","10.1021/ol0513701","","","0.71073","MoKα","","0.1099","0.0639","","","0.1394","0.1826","","","","","","1.11","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506660","8.446","0.002","12.812","0.003","19.021","0.003","88.816","0.013","83.451","0.018","89.42","0.03","2044.3","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 N O4 S -","- C22 H23 N O4 S -","- C88 H92 N4 O16 S4 -","4","2","","Yu, Chan-Mo; Youn, Jinsuop; Lee, Min-Kyoung","Regulation of stereoselectivity using Lewis acid in the cyclization of allenic aldehydes catalyzed by palladium complex.","Organic letters","2005","7","17","3733","3736","10.1021/ol0513701","","","0.71073","MoKα","","0.1163","0.0679","","","0.1679","0.2014","","","","","","1.009","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506661","10.8949","0.0002","12.1414","0.0002","15.7917","0.0003","90","","90","","90","","2088.92","0.07","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 O5 -","- C26 H22 O5 -","- C104 H88 O20 -","4","1","","Magnus, Philip; Stent, Matthew A. H.","Stereospecific synthesis of (+/-)-1,2-anhydro methyl rocaglate.","Organic letters","2005","7","18","3853","3855","10.1021/ol0513793","","","0.71073","MoKα","","0.0829","0.0418","","","0.0794","0.0929","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506662","7.115","0.0002","10.4338","0.0004","14.1498","0.0005","89.289","0.002","90.728","0.002","107.279","0.002","1002.9","0.06","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H22 O5 -","- C26 H22 O5 -","- C52 H44 O10 -","2","1","","Magnus, Philip; Stent, Matthew A. H.","Stereospecific synthesis of (+/-)-1,2-anhydro methyl rocaglate.","Organic letters","2005","7","18","3853","3855","10.1021/ol0513793","","","0.71073","MoKα","","0.1239","0.0944","","","0.1541","0.1643","","","","","","1.171","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506663","14.5342","0.0004","11.9275","0.0003","14.7603","0.0003","90","","117.704","0.001","90","","2265.46","0.1","120","1","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 F3 N O4 S Si -","- C20 H26 F3 N O4 S Si -","- C80 H104 F12 N4 O16 S4 Si4 -","4","1","","Eckert, Matthieu; Monnier, Florian; Shchetnikov, Grigorii T.; Titanyuk, Igor D.; Osipov, Serguej N.; Toupet, Loïc; Dérien, Sylvie; Dixneuf, Pierre H.","Tandem catalytic carbene addition/bicyclization of enynes. One-step synthesis of fluorinated bicyclic amino esters by ruthenium catalysis.","Organic letters","2005","7","17","3741","3743","10.1021/ol051393f","","","0.71069","MoKα","","0.1051","0.098","","","0.2564","0.2614","","","","","","1.134","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506664","7.247","0.0002","20.1918","0.0007","9.791","0.0004","90","","104.179","0.002","90","","1389.07","0.08","172","","","","","","","","","","Peters group","5","P 1 21 1","P 2yb","4","","","","- C34 H32 Fe N2 O -","- C34 H32 Fe N2 O -","- C68 H64 Fe2 N4 O2 -","2","1","","Peters, René; Fischer, Daniel F.","Preparation and diastereoselective ortho-metalation of chiral ferrocenyl imidazolines: remarkable influence of LDA as metalation additive.","Organic letters","2005","7","19","4137","4140","10.1021/ol051437k","","","0.71073","MoKα","","0.0786","0.0536","","","0.135","0.1569","","","","","","0.939","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506665","9.8803","0.0002","13.2759","0.0002","20.8422","0.0004","90","","90","","90","","2733.87","0.09","173.2","","","","","","","","","","Peters group","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H32 Fe N2 O -","- C34 H32 Fe N2 O -","- C136 H128 Fe4 N8 O4 -","4","1","","Peters, René; Fischer, Daniel F.","Preparation and diastereoselective ortho-metalation of chiral ferrocenyl imidazolines: remarkable influence of LDA as metalation additive.","Organic letters","2005","7","19","4137","4140","10.1021/ol051437k","","","0.71073","MoKα","","0.0535","0.0445","","","0.1221","0.1324","","","","","","1.005","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506666","17.946","0.0007","11.4823","0.0005","7.3257","0.0003","90","","90","","90","","1509.54","0.11","87","2","87","2","","","","","","","","4","P c a 21","P 2c -2ac","29","4-Me-Ph-IF2","","","- C7 H7 F2 I -","- C7 H7 F2 I -","- C56 H56 F16 I8 -","8","2","","Ye, Chengfeng; Twamley, Brendan; Shreeve, Jean'ne M.","Straightforward syntheses of hypervalent iodine(III) reagents mediated by Selectfluor.","Organic letters","2005","7","18","3961","3964","10.1021/ol051446t","","","0.71073","MoKα","","0.0232","0.0228","","","0.0568","0.0571","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506667","11.5263","0.0007","12.7649","0.0008","17.7467","0.0011","76.027","0.001","81.454","0.001","88.146","0.001","2505.7","0.3","87","2","87","2","","","","","","","","4","P -1","-P 1","2","F2I-5-tBu-1,3-Me3Ph","","","- C12 H17 F2 I -","- C12 H17 F2 I -","- C96 H136 F16 I8 -","8","4","","Ye, Chengfeng; Twamley, Brendan; Shreeve, Jean'ne M.","Straightforward syntheses of hypervalent iodine(III) reagents mediated by Selectfluor.","Organic letters","2005","7","18","3961","3964","10.1021/ol051446t","","","0.71073","MoKα","","0.0551","0.0485","","","0.1269","0.1325","","","","","","1.032","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506668","7.0914","0.0014","24.615","0.005","6.3857","0.0013","90","","90","","90","","1114.7","0.4","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H11 Br O2 -","- C12 H11 Br O2 -","- C48 H44 Br4 O8 -","4","1","","Kopp, Felix; Sklute, Genia; Polborn, Kurt; Marek, Ilan; Knochel, Paul","Stereoselective functionalization of cyclopropane derivatives using bromine/magnesium and sulfoxide/magnesium exchange reactions.","Organic letters","2005","7","17","3789","3791","10.1021/ol051452p","","","0.71073","MoKα","","0.0556","0.034","","","0.078","0.0916","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506669","10.1973","0.0011","15.796","0.002","7.0016","0.0014","90","","95.581","0.015","90","","1122.4","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Br N S -","- C11 H10 Br N S -","- C44 H40 Br4 N4 S4 -","4","1","","Kopp, Felix; Sklute, Genia; Polborn, Kurt; Marek, Ilan; Knochel, Paul","Stereoselective functionalization of cyclopropane derivatives using bromine/magnesium and sulfoxide/magnesium exchange reactions.","Organic letters","2005","7","17","3789","3791","10.1021/ol051452p","","","0.71073","MoKα","","0.0739","0.042","","","0.1044","0.1225","","","","","","1.075","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506670","11.903","0.002","12.782","0.002","18.785","0.003","90.687","0.008","95.682","0.008","96.926","0.008","2822.4","0.8","133","2","133","2","","","","","","","","3","P -1","-P 1","2","","","","- C40.75 H27 Cl0.5 -","- C40.75 H27 Cl0.5 -","- C163 H108 Cl2 -","4","2","","Hinrichs, Heino; Fischer, Axel K.; Jones, Peter G.; Hopf, Henning; Haley, Michael M.","[2.2]paracyclophane/dehydroannulene hybrids: probing the aromaticity of the dehydro[14]annulene framework.","Organic letters","2005","7","17","3793","3795","10.1021/ol0514552","","","0.71073","MoKα","","0.1113","0.0683","","","0.1663","0.1862","","","","","","1.029","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506671","9.3588","0.0008","12.8978","0.0012","28.84","0.003","90","","90","","90","","3481.2","0.6","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C42 H40 Si2 -","- C42 H40 Si2 -","- C168 H160 Si8 -","4","1","","Hinrichs, Heino; Fischer, Axel K.; Jones, Peter G.; Hopf, Henning; Haley, Michael M.","[2.2]paracyclophane/dehydroannulene hybrids: probing the aromaticity of the dehydro[14]annulene framework.","Organic letters","2005","7","17","3793","3795","10.1021/ol0514552","","","0.71073","MoKα","","0.0381","0.0326","","","0.0822","0.0845","","","","","","1.017","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506672","8.5041","0.0016","11.865","0.002","11.568","0.002","90","","103.149","0.003","90","","1136.6","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H29 N O4 -","- C28 H29 N O4 -","- C56 H58 N2 O8 -","2","1","","Pallerla, Mahesh K.; Fox, Joseph M.","Diastereoselective intermolecular Pauson-Khand reactions of chiral cyclopropenes.","Organic letters","2005","7","16","3593","3595","10.1021/ol051456u","","","0.71073","MoKα","","0.0444","0.0386","","","0.0863","0.0884","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506673","8.057","0.001","18.472","0.004","12.023","0.002","90","","94.8","0.02","90","","1783.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F4 N2 O3 -","- C18 H14 F4 N2 O3 -","- C72 H56 F16 N8 O12 -","4","1","","Huang, Shenlin; Pan, Yuanjiang; Zhu, Yulin; Wu, Anxin","A novel three-component one-pot reaction involving alkynes, urea or thiourea, and aldehydes.","Organic letters","2005","7","17","3797","3799","10.1021/ol051458e","","","0.71073","MoKα","","0.1112","0.0529","","","0.1267","0.1405","","","","","","0.949","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506674","26.939","0.001","8.9373","0.0003","18.5928","0.0007","90","","118.072","0.001","90","","3949.8","0.3","295","1","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 F4 N2 O3 -","- C20 H18 F4 N2 O3 -","- C160 H144 F32 N16 O24 -","8","1","","Huang, Shenlin; Pan, Yuanjiang; Zhu, Yulin; Wu, Anxin","A novel three-component one-pot reaction involving alkynes, urea or thiourea, and aldehydes.","Organic letters","2005","7","17","3797","3799","10.1021/ol051458e","","","0.7107","MoKα","","","0.087","","","","0.223","","","","","","1.011","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506675","12.705","0.002","19.177","0.003","11.2498","0.0018","90","","94.877","0.003","90","","2731","0.7","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","-1-[6-(1-oxyl-3-oxide-4,4,5,5-tetramethylimidazolin-2-yl) -2-methylbenzo[b]-thiophen-3-yl]- 2-(2-methylbenzo[b]-thiophen-3-yl)hexafluorocyclopentene","","- C30 H25 F6 N2 O2 S2 -","- C30 H25 F6 N2 O2 S2 -","- C120 H100 F24 N8 O8 S8 -","4","1","","Tanifuji, Naoki; Matsuda, Kenji; Irie, Masahiro","Effect of imino nitroxyl and nitronyl nitroxyl groups on the photochromic reactivity of diarylethenes.","Organic letters","2005","7","17","3777","3780","10.1021/ol051463i","","","0.71073","MoKα","","0.0924","0.0661","","","0.1419","0.1572","","","","","","1.104","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506676","13.38","0.05","6.27","0.09","13.7","0","90","","107.3","0.5","90","","1097","17","100","","100","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","4,4,7-trimethyl-6-oxaspiro[4.5]dec-2-en-1-one","","- C13 H18 O2 -","- C12 H18 O2 -","- C48 H72 O8 -","4","1","","Prandi, Cristina; Deagostino, Annamaria; Venturello, Paolo; Occhiato, Ernesto G.","Stereoselective synthesis of spirocyclic ketones by Nazarov reaction.","Organic letters","2005","7","20","4345","4348","10.1021/ol051464a","","x-ray","0.71073","MoKα","","0.0965","0.0638","","","0.1319","0.1517","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506677","9.4901","0.001","17.1409","0.0003","9.9187","0.0002","90","","115.528","0.001","90","","1455.95","0.16","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","cyclohexil","cyclohexil","","- C14 H23 N O4 -","- C14 H23 N O4 -","- C56 H92 N4 O16 -","4","1","","Avenoza, Alberto; Busto, Jesús H; Canal, Noelia; Peregrina, Jesús M; Pérez-Fernández, Marta","Selective Michael-aldol reaction by use of sterically hindered aluminum aryloxides as Lewis acids: an easy approach to cyclobutane amino acids.","Organic letters","2005","7","16","3597","3600","10.1021/ol0514707","","","0.71073","MoKα","","0.0504","0.0465","","","0.1241","0.1278","","","","","","1.049","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506678","7.1537","0.0002","17.2234","0.0006","9.5554","0.0003","90","","96.095","0.002","90","","1170.68","0.06","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","etoxi-1-acetamidometoxicarbonilciclobutano","cis-2-etoxi-1-acetamidometoxicarbonilciclobutano","","- C10 H17 N O4 -","- C10 H17 N O4 -","- C40 H68 N4 O16 -","4","1","","Avenoza, Alberto; Busto, Jesús H; Canal, Noelia; Peregrina, Jesús M; Pérez-Fernández, Marta","Selective Michael-aldol reaction by use of sterically hindered aluminum aryloxides as Lewis acids: an easy approach to cyclobutane amino acids.","Organic letters","2005","7","16","3597","3600","10.1021/ol0514707","","","0.71073","MoKα","","0.0981","0.0528","","","0.1293","0.1511","","","","","","1.038","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506679","16.4388","0.0001","20.273","0.0016","5.7205","0.0003","90","","90","","90","","1906.44","0.18","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","compound10","compound10","","- C20 H27 N O4 -","- C20 H27 N O4 -","- C80 H108 N4 O16 -","4","1","","Avenoza, Alberto; Busto, Jesús H; Canal, Noelia; Peregrina, Jesús M; Pérez-Fernández, Marta","Selective Michael-aldol reaction by use of sterically hindered aluminum aryloxides as Lewis acids: an easy approach to cyclobutane amino acids.","Organic letters","2005","7","16","3597","3600","10.1021/ol0514707","","","0.71073","MoKα","","0.0895","0.06","","","0.1371","0.1543","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506680","14.9601","0.001","14.9602","0.001","12.7394","0.001","90","","90","","120","","2469.2","0.3","173","2","173","2","","","","","","","","4","P 31","P 31","144","compound11","compound11","","- C33 H55 N O4 -","- C33 H55 N O4 -","- C99 H165 N3 O12 -","3","1","","Avenoza, Alberto; Busto, Jesús H; Canal, Noelia; Peregrina, Jesús M; Pérez-Fernández, Marta","Selective Michael-aldol reaction by use of sterically hindered aluminum aryloxides as Lewis acids: an easy approach to cyclobutane amino acids.","Organic letters","2005","7","16","3597","3600","10.1021/ol0514707","","","0.71073","MoKα","","0.1616","0.1412","","","0.352","0.3694","","","","","","1.073","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506681","33.749","0.012","12.982","0.005","19.167","0.007","90","","90","","90","","8398","5","150","","150","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C88 H76 Cl12 N6 O6 -","- C88 H76 Cl12 N6 O6 -","- C352 H304 Cl48 N24 O24 -","4","1","","Tominaga, Masahide; Masu, Hyuma; Katagiri, Kosuke; Kato, Takako; Azumaya, Isao","Triple helicate constructed by covalent bondings: crystal structure and effective synthesis based on propeller-like substructures.","Organic letters","2005","7","17","3785","3787","10.1021/ol051477o","","","0.71073","MoKα","","0.1618","0.0892","","","0.2229","0.2679","","","","","","0.95","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506682","15.6716","0.0007","9.0731","0.0004","16.7091","0.0007","90","","113.433","0.003","90","","2179.92","0.17","160","1","160","1","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 -","- C33 H24 -","- C132 H96 -","4","1","","Wu, Yao-Ting; Linden, Anthony; Siegel, Jay S.","Formal [(2+2)+2] and [(2+2)+(2+2)] nonconjugated dienediyne cascade cycloadditions.","Organic letters","2005","7","20","4353","4355","10.1021/ol0514799","","","0.71073","MoKα","","0.0799","0.0554","","","0.1186","0.1344","","","","","","1.049","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506683","5.198","0.0002","7.6164","0.0002","48.4186","0.0016","90","","90","","90","","1916.89","0.11","220","2","220","2","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H36 O3 -","- C19 H36 O3 -","- C76 H144 O12 -","4","1","","Hanessian, Stephen; Giroux, Simon; Buffat, Maxime","Total synthesis and structural confirmation of (+)-longicin.","Organic letters","2005","7","18","3989","3992","10.1021/ol051483k","","","1.54178","CuKα","","0.1315","0.1064","","","0.2888","0.3094","","","","","","1.044","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506684","5.764","0.002","7.575","0.002","29.802","0.01","90","","90.45","0.03","90","","1301.2","0.7","293","2","293","2","","","","","","","Synthesized by the authors. See text","3","P 1 21 1","P 2yb","4","","","","- C25 H46 O5 -","- C25 H46 O5 -","- C50 H92 O10 -","2","1","","Hanessian, Stephen; Giroux, Simon; Buffat, Maxime","Total synthesis and structural confirmation of (+)-longicin.","Organic letters","2005","7","18","3989","3992","10.1021/ol051483k","","","1.54178","CuKα","","0.0794","0.0572","","","0.1518","0.1712","","","","","","0.909","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506685","10.126","0.005","14.618","0.005","18.704","0.005","90","","90","","90","","2768.6","1.8","173","2","173","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C12 H8 O4 -","- C12 H8 O4 -","- C144 H96 O48 -","12","1.5","","Gallant, Amanda J.; Yun, Michael; Sauer, Marc; Yeung, Charles S.; MacLachlan, Mark J.","Tautomerization in naphthalenediimines: a keto-enamine Schiff base macrocycle.","Organic letters","2005","7","22","4827","4830","10.1021/ol051511z","","","0.71073","MoKα","","0.1243","0.0435","","","0.0981","0.1075","","","","","","0.683","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506686","11.649","0.005","7.4767","0.0016","23.829","0.008","90","","103.823","0.013","90","","2015.3","1.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C104 H88 N8 O16 -","4","1","","Gallant, Amanda J.; Yun, Michael; Sauer, Marc; Yeung, Charles S.; MacLachlan, Mark J.","Tautomerization in naphthalenediimines: a keto-enamine Schiff base macrocycle.","Organic letters","2005","7","22","4827","4830","10.1021/ol051511z","","","0.71073","MoKα","","0.0765","0.0385","","","0.0857","0.0995","","","","","","0.99","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506687","11.067","","11.991","","14.815","","101.06","","93.76","","95.58","","1913.2","","173","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H48 N4 O8 -","- C38 H48 N4 O8 -","- C76 H96 N8 O16 -","2","1","","Gallant, Amanda J.; Yun, Michael; Sauer, Marc; Yeung, Charles S.; MacLachlan, Mark J.","Tautomerization in naphthalenediimines: a keto-enamine Schiff base macrocycle.","Organic letters","2005","7","22","4827","4830","10.1021/ol051511z","","","0.71073","MoKα","","0.201","0.0596","","","0.0996","0.1372","","","","","","0.957","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506688","22.652","0.008","10.982","0.004","18.713","0.004","90","","95.607","0.011","90","","4633","3","296.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H24 O1.5 P -","- C29 H24 O1.5 P -","- C232 H192 O12 P8 -","8","1","","Onodera, Gen; Matsumoto, Hideyuki; Milton, Marilyn Daisy; Nishibayashi, Yoshiaki; Uemura, Sakae","Ruthenium-catalyzed formation of aryl(diphenyl)phosphine oxides by reactions of propargylic alcohols with diphenylphosphine oxide.","Organic letters","2005","7","18","4029","4032","10.1021/ol0515311","","","0.71069","MoKα","","","0.0466","","","","0.0581","","","","","","7.312","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506689","8.583","0.004","18.449","0.008","15.254","0.007","90","0.0017","95.9348","0.0018","90","0.0017","2402.5","1.9","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 B P -","- C30 H30 B P -","- C120 H120 B4 P4 -","4","1","","Agou, Tomohiro; Kobayashi, Junji; Kawashima, Takayuki","Dibenzophosphaborin: a hetero-pi-conjugated molecule with fluorescent properties based on intramolecular charge transfer between phosphorus and boron atoms.","Organic letters","2005","7","20","4373","4376","10.1021/ol051537q","","","0.7107","MoKα","","0.0632","0.0565","","","0.1389","0.1447","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506690","8.138","0.004","16.833","0.009","16.975","0.009","90","","92.835","0.003","90","","2323","2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 B P -","- C30 H27 B P -","- C120 H108 B4 P4 -","4","1","","Agou, Tomohiro; Kobayashi, Junji; Kawashima, Takayuki","Dibenzophosphaborin: a hetero-pi-conjugated molecule with fluorescent properties based on intramolecular charge transfer between phosphorus and boron atoms.","Organic letters","2005","7","20","4373","4376","10.1021/ol051537q","","","0.7107","MoKα","","0.0623","0.0445","","","0.0796","0.0871","","","","","","0.942","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506691","10.47","0.002","17.247","0.004","17.307","0.004","90","","90","","90","","3125.2","1.2","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H48 Br N O4 -","- C35 H48 Br N O4 -","- C140 H192 Br4 N4 O16 -","4","1","","Johannes, Jeffrey W.; Wenglowsky, Steve; Kishi, Yoshito","Biomimetic macrocycle-forming Diels-Alder reaction of an iminium dienophile: synthetic studies directed toward gymnodimine.","Organic letters","2005","7","18","3997","4000","10.1021/ol051553n","","","0.71073","MoKα","","0.0546","0.039","","","0.0724","0.0775","","","","","","0.997","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506692","5.9697","0.0005","13.3048","0.0012","22.401","0.002","90","","90","","90","","1779.2","0.3","273","2","273","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","hexahydro-1-benzofuran-3(2H)-one","","","- C9 H14 O3 -","- C9 H14 O3 -","- C72 H112 O24 -","8","1","","Muthusamy, Sengodagounder; Gnanaprakasam, Boopathy; Suresh, Eringathodi","Regioselective nucleophilic addition to carbonyl ylide intermediates: a novel diastereoselective synthesis of cycloalkyl fused furan-3-ones.","Organic letters","2005","7","21","4577","4580","10.1021/ol051562w","","","0.71073","MoKα","","0.0608","0.0522","","","0.1358","0.1431","","","","","","1.07","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506693","12.4574","0.0018","7.9073","0.0011","14.806","0.002","90","","109.547","0.003","90","","1374.4","0.3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","tetrahydro-2H-cyclopenta[b]furan-3(3aH)-one","","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C56 H64 N8 O16 -","4","1","","Muthusamy, Sengodagounder; Gnanaprakasam, Boopathy; Suresh, Eringathodi","Regioselective nucleophilic addition to carbonyl ylide intermediates: a novel diastereoselective synthesis of cycloalkyl fused furan-3-ones.","Organic letters","2005","7","21","4577","4580","10.1021/ol051562w","","","0.71073","MoKα","","0.0923","0.0676","","","0.187","0.2265","","","","","","1.13","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506694","6.6119","0.0009","10.4176","0.0014","13.0721","0.0017","91.049","0.003","95.024","0.003","95.584","0.003","892.4","0.2","300","2","273","2","","","","","","","","4","P -1","-P 1","2","3-oxooctahydro-1-benzofuran-2-carboxylate","","","- C18 H22 N2 O6 -","- C18 H22 N2 O6 -","- C36 H44 N4 O12 -","2","1","","Muthusamy, Sengodagounder; Gnanaprakasam, Boopathy; Suresh, Eringathodi","Regioselective nucleophilic addition to carbonyl ylide intermediates: a novel diastereoselective synthesis of cycloalkyl fused furan-3-ones.","Organic letters","2005","7","21","4577","4580","10.1021/ol051562w","","","0.71073","MoKα","","0.155","0.0778","","","0.1642","0.2211","","","","","","1.03","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506695","10.605","0.002","15","0.003","21.184","0.004","90","","90","","90","","3369.8","1.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(3aS,5R,6S,6aS)-5-(tert-butyldimethylsilyloxy)-6- (trityloxymethyl)-1,3a,4,5,6,6a-hexahydropentalen- 2-yl trifluoromethanesulfonate","","- C35 H41 F3 O5 S Si -","- C35 H41 F3 O5 S Si -","- C140 H164 F12 O20 S4 Si4 -","4","1","","Sheddan, Neil A.; Mulzer, Johann","Access to isocarbacyclin derivatives via substrate-controlled enolate formation: total synthesis of 15-deoxy-16-(m-tolyl)- 17,18,19,20-tetranorisocarbacyclin","Organic letters","2005","7","23","5115","5118","10.1021/ol0515762","","","0.71073","MoKα","","0.0499","0.04","","","0.0987","0.1051","","","","","","1.058","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506696","11.1184","0.0002","14.1118","0.0002","9.5312","0.0002","90","","95.192","0.001","90","","1489.32","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O3 S -","- C15 H16 N2 O3 S -","- C60 H64 N8 O12 S4 -","4","1","","García Ruano, José Luis; Topp, Markus; López-Cantarero, Jesús; Alemán, José; Remuiñán, Modesto J; Cid, M Belén","Asymmetric aza-Henry reactions from N-p-tolylsulfinylimines.","Organic letters","2005","7","20","4407","4410","10.1021/ol051580d","","","1.54178","CuKα","","0.0407","0.0365","","","0.097","0.1004","","","","","","1.045","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506697","13.413","0.001","8.473","0.001","22.024","0.001","90","","106.357","0.001","90","","2401.7","0.4","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 Au F6 N O4 P S2 -","- C20 H15 Au F6 N O4 P S2 -","- C80 H60 Au4 F24 N4 O16 P4 S8 -","4","1","","Mézailles, Nicolas; Ricard, Louis; Gagosz, Fabien","Phosphine gold(I) bis-(trifluoromethanesulfonyl)imidate complexes as new highly efficient and air-stable catalysts for the cycloisomerization of enynes.","Organic letters","2005","7","19","4133","4136","10.1021/ol0515917","","","0.71069","MoKα","","0.0354","0.0278","","","0.0707","0.0742","","","","","","1.028","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506698","9.0996","0.0007","11.5389","0.0008","25.785","0.002","90","","90","","90","","2707.4","0.4","150","","150","","","","","","","","P. Joensuu","3","P b c a","-P 2ac 2ab","61","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C120 H160 O24 -","8","1","","Lam, Hon Wai; Joensuu, Pekka M.","Cu(I)-catalyzed reductive aldol cyclizations: diastereo- and enantioselective synthesis of beta-hydroxylactones.","Organic letters","2005","7","19","4225","4228","10.1021/ol051649h","","","0.71073","MoKα","","0.1124","0.0554","","0.1168","0.1026","0.1168","","","","","","0.7612","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506699","8.3224","0.0004","10.8314","0.0005","10.9546","0.0005","92.665","0.003","106.145","0.003","92.45","0.003","945.92","0.08","150","","150","","","","","","","","P. Joensuu","3","P -1","-P 1","2","","","","- C9 H16 O3 -","- C9 H16 O3 -","- C36 H64 O12 -","4","2","","Lam, Hon Wai; Joensuu, Pekka M.","Cu(I)-catalyzed reductive aldol cyclizations: diastereo- and enantioselective synthesis of beta-hydroxylactones.","Organic letters","2005","7","19","4225","4228","10.1021/ol051649h","","","0.71073","MoKα","","0.0563","0.0414","","0.1074","0.1037","0.1074","","","","","","0.8351","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506700","7.418","0.0002","9.0469","0.0003","18.673","0.0006","90","","90","","90","","1253.14","0.07","150","2","150","2","","","","","","","Hon Lam, reaction PJC16A","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Cl O3 -","- C13 H15 Cl O3 -","- C52 H60 Cl4 O12 -","4","1","","Lam, Hon Wai; Joensuu, Pekka M.","Cu(I)-catalyzed reductive aldol cyclizations: diastereo- and enantioselective synthesis of beta-hydroxylactones.","Organic letters","2005","7","19","4225","4228","10.1021/ol051649h","","","0.71073","MoKα","","0.0432","0.0361","","","0.0918","0.0944","","","","","","1.078","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506701","6.604","0.001","15.346","0.002","19.811","0.003","90","","90","","90","","2007.7","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H26 O S2 -","- C22 H26 O S2 -","- C88 H104 O4 S8 -","4","1","","Xie, Xingang; Yue, Guoren; Tang, Shouchu; Huo, Xing; Liang, Qiren; She, Xuegong; Pan, Xinfu","Highly diastereoselective formation of 1,2,3-trisubstituted cyclopropane derivatives.","Organic letters","2005","7","18","4057","4059","10.1021/ol051653t","","","0.71073","MoKα","","0.053","0.0374","","","0.0756","0.0788","","","","","","0.885","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506702","8.4794","0.0003","6.8463","0.0003","10.1247","0.0005","90","","103.613","0.004","90","","571.25","0.04","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H12 O2 S2 -","- C11 H12 O2 S2 -","- C22 H24 O4 S4 -","2","1","","Wedel, Tobias; Podlech, Joachim","Enolate addition to a 2-alkylidene[1,3]dithiane-derived bissulfoxide. A new a(2)-acceptor.","Organic letters","2005","7","18","4013","4015","10.1021/ol051670i","","","1.54178","CuKα","","0.0469","0.0447","","","0.1167","0.1221","","","","","","1.05","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506703","10.0518","0.0006","10.0518","0.0006","16.5499","0.0008","90","","90","","90","","1672.18","0.16","293","2","293","2","","","","","","","","4","P 43","P 4cw","78","","","","- C17 H22 O3 S2 -","- C17 H22 O3 S2 -","- C68 H88 O12 S8 -","4","1","","Wedel, Tobias; Podlech, Joachim","Enolate addition to a 2-alkylidene[1,3]dithiane-derived bissulfoxide. A new a(2)-acceptor.","Organic letters","2005","7","18","4013","4015","10.1021/ol051670i","","","1.54178","CuKα","","0.0522","0.0508","","","0.1361","0.1392","","","","","","1.022","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506704","18.3881","0.0004","9.819","0.0003","22.354","0.0006","90","","110.52","0.001","90","","3779.99","0.18","200","2","200","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 I N O4 -","- C15 H28 I N O4 -","- C120 H224 I8 N8 O32 -","8","2","","Sheldrake, Helen M.; Wallace, Timothy W.; Wilson, Craig P.","Functionalized cyclobutenes via multicomponent thermal [2 + 2] cycloaddition reactions.","Organic letters","2005","7","19","4233","4236","10.1021/ol051675f","","x-ray","0.71073","MoKα","","0.0651","0.0425","","","0.0836","0.0945","","","","","","1.109","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506705","10.7031","0.0017","7.6834","0.0011","14.286","0.002","90","","96.923","0.001","90","","1166.3","0.3","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H33 I O6 -","- C21 H33 I O6 -","- C42 H66 I2 O12 -","2","1","","Smith, 3rd, Amos B; Xian, Ming; Liu, Fenghua","Design, total synthesis, and evaluation of C13-C14 cyclopropane analogues of (+)-discodermolide.","Organic letters","2005","7","21","4613","4616","10.1021/ol051691c","","","0.71069","MoKα","","0.0282","0.0266","","","0.0633","0.0646","","","","","","1.07","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506706","28.31","0.011","6.229","0.002","10.339","0.004","90","","100.58","0.007","90","","1792.2","1.1","163","2","163","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H34 O3 -","- C18 H34 O2.99 -","- C72 H136 O11.96 -","4","1","","Ramirez, Armando; Woerpel, K. A.","Synthesis of 1,2-dioxolanes by annulation reactions of peroxycarbenium ions with alkenes.","Organic letters","2005","7","21","4617","4620","10.1021/ol051703u","","","0.71073","MoKα","","0.1155","0.0666","","","0.1615","0.1891","","","","","","1.049","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1506707","20.395","0.002","11.2144","0.0013","13.2709","0.0016","90","","90","","90","","3035.3","0.6","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","15","7,14,22,29-tetraaza-1,5,16,20-tetrachloro-31,31,32,32-tetramethoxynonacyclo [18.10.1.15,16.02,19.04,17.06,15.08,13.021,30.023,28] dotriacontane-6(15),8,9,11,14,21(30),23,24,26,28,29-decaene.","","- C32 H28 Cl4 N4 O4 -","- C32 H28 Cl4 N4 O4 -","- C128 H112 Cl16 N16 O16 -","4","0.5","","Chou, Teh-Chang; Liao, Kung-Ching; Lin, Jin-Ju","Synthesis and luminescence properties of U-shaped polycyclic molecules containing syn-facial functionalized quinoxaline rings.","Organic letters","2005","7","22","4843","4846","10.1021/ol051707z","","","0.71073","MoKα","","0.0509","0.037","","","0.0874","0.0924","","","","","","0.983","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506708","11.2393","0.0006","16.951","0.0009","17.1697","0.0009","90","","101.104","0.001","90","","3209.9","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","16","8,15,24,31-tetraaza-1,6,17,22-tetrachloro-33,33,34,34-tetramethoxynonacyclo [20.10.1.116,17.02,21.05,18.07,16.09,14.023,32.025,30] tetratricontane-7(16),9,10,12,15,23(32),25,26,28,31-decaene.","","- C34 H32 Cl4 N4 O4 -","- C34 H32 Cl4 N4 O4 -","- C136 H128 Cl16 N16 O16 -","4","1","","Chou, Teh-Chang; Liao, Kung-Ching; Lin, Jin-Ju","Synthesis and luminescence properties of U-shaped polycyclic molecules containing syn-facial functionalized quinoxaline rings.","Organic letters","2005","7","22","4843","4846","10.1021/ol051707z","","","0.71073","MoKα","","0.0353","0.0316","","","0.0846","0.0876","","","","","","1.038","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506709","9.8631","0.001","20.512","0.002","13.5322","0.0014","90","","107.616","0.002","90","","2609.3","0.5","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 O10 -","- C28 H22 O10 -","- C112 H88 O40 -","4","1","","Nair, Vijay; Pillai, Abhilash N.; Beneesh, P. B.; Suresh, Eringathodi","Engaging the pyridine-DMAD zwitterion in a novel strategy for the selective synthesis of highly substituted benzene and cyclopentenedione derivatives.","Organic letters","2005","7","21","4625","4628","10.1021/ol051723w","","","0.71073","MoKα","","0.0606","0.0511","","","0.1477","0.156","","","","","","1.037","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506710","13.581","0.0017","14.205","0.001","14.361","0.0018","90","","98.096","0.011","90","","2742.9","0.5","250","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H37 N O8 S Si -","- C23 H37 N O8 S Si -","- C92 H148 N4 O32 S4 Si4 -","4","1","","Boglio, Cécile; Stahlke, Sebastian; Thorimbert, Serge; Malacria, Max","A stereoselective route toward polyhydoxylated piperidines. A total synthesis of (+/-)-deoxymannojirimycin.","Organic letters","2005","7","22","4851","4854","10.1021/ol051745i","","x-ray","0.71073","MoKα","","","0.0506","","","","0.1447","","","","","","1.057","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506711","17.1855","0.0011","8.6653","0.0006","24.9779","0.0016","90","","90","","90","","3719.6","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C16 H15 F6 N O4 S -","- C16 H15 F6 N O4 S -","- C128 H120 F48 N8 O32 S8 -","8","1","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.","[2]pseudorotaxane formation with N-benzylanilinium axles and 24-crown-8 ether wheels.","Organic letters","2005","7","22","4923","4926","10.1021/ol051786e","","","0.71073","MoKα","","0.1007","0.0885","","","0.1656","0.1718","","","","","","1.149","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506712","13.4607","0.0009","14.0815","0.0009","16.0914","0.0011","81.541","0.001","77.187","0.001","66.644","0.001","2724.4","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H60 F9 N O15 S -","- C52 H60 F9 N O15 S -","- C104 H120 F18 N2 O30 S2 -","2","1","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.","[2]pseudorotaxane formation with N-benzylanilinium axles and 24-crown-8 ether wheels.","Organic letters","2005","7","22","4923","4926","10.1021/ol051786e","","","0.71073","MoKα","","0.1292","0.0895","","","0.2523","0.2848","","","","","","1.035","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506713","9.8489","0.0005","10.864","0.0006","21.406","0.0012","89.398","0.001","78.804","0.001","63.063","0.001","1995.18","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H50 F3 N O13 S -","- C40 H50 F3 N O13 S -","- C80 H100 F6 N2 O26 S2 -","2","1","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.","[2]pseudorotaxane formation with N-benzylanilinium axles and 24-crown-8 ether wheels.","Organic letters","2005","7","22","4923","4926","10.1021/ol051786e","","","0.71073","MoKα","","0.038","0.0363","","","0.1074","0.1092","","","","","","0.936","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506714","6.1206","0.0005","12.592","0.001","14.007","0.001","90","","90","","90","","1079.53","0.15","290","2","290","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O2 -","- C12 H13 N O2 -","- C48 H52 N4 O8 -","4","1","","Dong, Lin; Xu, Yan-Jun; Cun, Lin-Feng; Cui, Xin; Mi, Ai-Qiao; Jiang, Yao-Zhong; Gong, Liu-Zhu","Asymmetric nitroallylation of arylboronic acids with nitroallyl acetates catalyzed by chiral rhodium complexes and its application in a concise total synthesis of optically pure (+)-gamma-lycorane.","Organic letters","2005","7","19","4285","4288","10.1021/ol051795n","","","0.71073","MoKα","","0.0543","0.0327","","","0.0652","0.07","","","","","","0.961","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506715","14.549","0.002","11.0148","0.0015","12.6709","0.0017","90","","92","0.011","90","","2029.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N O4 S -","- C21 H25 N O4 S -","- C84 H100 N4 O16 S4 -","4","1","","Yu, Chan-Mo; Youn, Jinsuop; Yoon, Seok-Keun; Hong, Young-Tack","A highly stereoselective sequential allylic transfer reaction of diene with diboronyl reagent and aldehydes promoted by nickel catalyst.","Organic letters","2005","7","20","4507","4510","10.1021/ol051806c","","","0.71073","MoKα","","0.134","0.0594","","","0.1174","0.1522","","","","","","1.014","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506716","8.79","0.002","12.6073","0.0016","21.886","0.005","90","","96.035","0.018","90","","2411.9","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 Cl2 N O4 S -","- C22 H27 Cl2 N O4 S -","- C88 H108 Cl8 N4 O16 S4 -","4","1","","Yu, Chan-Mo; Youn, Jinsuop; Yoon, Seok-Keun; Hong, Young-Tack","A highly stereoselective sequential allylic transfer reaction of diene with diboronyl reagent and aldehydes promoted by nickel catalyst.","Organic letters","2005","7","20","4507","4510","10.1021/ol051806c","","","0.71073","MoKα","","0.1704","0.0906","","","0.2367","0.315","","","","","","1.062","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506717","6.108","0.004","27.256","0.012","12.829","0.005","90","","93.49","0.04","90","","2131.8","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N O4 S -","- C22 H27 N O4 S -","- C88 H108 N4 O16 S4 -","4","1","","Yu, Chan-Mo; Youn, Jinsuop; Yoon, Seok-Keun; Hong, Young-Tack","A highly stereoselective sequential allylic transfer reaction of diene with diboronyl reagent and aldehydes promoted by nickel catalyst.","Organic letters","2005","7","20","4507","4510","10.1021/ol051806c","","","0.71073","MoKα","","0.0885","0.047","","","0.0914","0.1072","","","","","","1.042","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506718","12.9029","0.0017","14.6931","0.0019","19.457","0.003","90","","107.321","0.002","90","","3521.5","0.8","110","2","110","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C36 H38 N4 O4 -","- C34.5 H51 N4 O7.5 -","- C138 H204 N16 O30 -","4","2","","Amorín, Manuel; Brea, Roberto J.; Castedo, Luis; Granja, Juan R.","The smallest alpha,gamma-peptide nanotubulet segments: cyclic alpha,gamma-tetrapeptide dimers.","Organic letters","2005","7","21","4681","4684","10.1021/ol0518885","","x-ray","0.71073","MoKα","","0.097","0.0631","","","0.1652","0.1899","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506719","11.611","0.002","10.747","0.002","20.951","0.002","90","","94.44","0.01","90","","2606.5","0.7","203","2","203","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 O2 -","- C15 H24 O2 -","- C120 H192 O16 -","8","2","","Tilly, David P.; Williams, Craig M.; Bernhardt, Paul V.","Construction of the cyclovibsanin core via a biogenetically modeled approach.","Organic letters","2005","7","23","5155","5157","10.1021/ol051897d","","x-ray","0.71073","MoKα","","0.1787","0.0538","","","0.1198","0.1636","","","","","","0.968","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506720","16.5687","0.0013","5.235","0.0004","16.4498","0.0013","90","","92.787","0.001","90","","1425.12","0.19","292","2","292","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C13 H14 Br N O4 -","- C13 H14 Br N O4 -","- C52 H56 Br4 N4 O16 -","4","1","","Wang, Jian; Li, Hao; Duan, Wenhu; Zu, Liansuo; Wang, Wei","Organocatalytic asymmetric Michael addition of 2,4-pentandione to nitroolefins.","Organic letters","2005","7","21","4713","4716","10.1021/ol0519137","","","0.71073","MoKα","","0.0546","0.0354","","","0.0818","0.0944","","","","","","1.026","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506721","7.055","0.0001","18.676","0.0005","9.813","0.0002","90","","108.071","0.0013","90","","1229.18","0.05","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C52 H56 N8 O16 -","4","1","","Blakemore, Paul R.; Kilner, Colin; Norcross, Neil R.; Astles, Peter C.","A practical synthesis of (+/-)-alpha-isosparteine from a tetraoxobispidine core.","Organic letters","2005","7","21","4721","4724","10.1021/ol0519184","","x-ray","0.71073","MoKα","","0.0631","0.0434","","","0.1113","0.1243","","","","","","1.039","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506722","8.5596","0.0008","11.4819","0.0012","26.25","0.003","90","","90","","90","","2579.9","0.5","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C120 H144 N16 O32 -","8","1","","Blakemore, Paul R.; Kilner, Colin; Norcross, Neil R.; Astles, Peter C.","A practical synthesis of (+/-)-alpha-isosparteine from a tetraoxobispidine core.","Organic letters","2005","7","21","4721","4724","10.1021/ol0519184","","","0.71073","MoKα","","0.0487","0.0336","","","0.0807","0.0869","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506723","13.9423","0.0018","10.7041","0.0014","17.044","0.002","90","","91.314","0.002","90","","2543","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Br O3 -","- C13 H13 Br O3 -","- C104 H104 Br8 O24 -","8","2","","Zhao, Gui-Ling; Shi, Yong-Ling; Shi, Min","Synthesis of functionalized 2H-1-benzopyrans by DBU-catalyzed reactions of salicylic aldehydes with allenic ketones and esters.","Organic letters","2005","7","20","4527","4530","10.1021/ol051920v","","","0.71073","MoKα","","0.1027","0.0387","","","0.074","0.0827","","","","","","0.739","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506724","8.8902","0.0009","9.774","0.001","15.87","0.002","74.891","0.003","89.892","0.002","89.964","0.006","1331.3","0.3","296.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H30 Cu2 I2 N2 Si2 -","- C20 H30 Cu2 I2 N2 Si2 -","- C40 H60 Cu4 I4 N4 Si4 -","2","1","","Kamei, Toshiyuki; Fujita, Kazuyoshi; Itami, Kenichiro; Yoshida, Jun-ichi","Copper-catalyzed allylation of carbonyl derivatives using allyl(2-pyridyl)silanes.","Organic letters","2005","7","21","4725","4728","10.1021/ol051925s","","","0.7107","MoKα","","","0.066","","","","0.1","","","","","","2.844","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506725","36.529","0.003","11.7506","0.0009","26.095","0.002","90","","133.184","0.002","90","","8167.3","1.1","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H24 O2 Sn -","- C23 H23.5 O2 Sn -","- C368 H376 O32 Sn16 -","16","4","","Dimopoulos, Paschalis; George, Jonathan; Tocher, Derek A.; Manaviazar, Soraya; Hale, Karl J.","Mechanistic studies on the O-directed free-radical hydrostannation of disubstituted acetylenes with Ph3SnH and Et3B and on the iodination of allylically oxygenated alpha-triphenylstannylalkenes.","Organic letters","2005","7","24","5377","5380","10.1021/ol051937d","","","0.71073","MoKα","","0.0317","0.0309","","","0.0735","0.0741","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506726","8.1399","0.0004","15.1636","0.0008","17.2457","0.0009","108.047","0.001","98.828","0.001","91.063","0.001","1994.99","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H24 O Sn -","- C23 H24 O Sn -","- C92 H96 O4 Sn4 -","4","2","","Dimopoulos, Paschalis; George, Jonathan; Tocher, Derek A.; Manaviazar, Soraya; Hale, Karl J.","Mechanistic studies on the O-directed free-radical hydrostannation of disubstituted acetylenes with Ph3SnH and Et3B and on the iodination of allylically oxygenated alpha-triphenylstannylalkenes.","Organic letters","2005","7","24","5377","5380","10.1021/ol051937d","","","0.71073","MoKα","","0.0357","0.0323","","","0.0765","0.0786","","","","","","1.025","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506727","7.418","0.0007","15.6288","0.0015","32.908","0.003","90","","95.08","0.002","90","","3800.2","0.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 O Sn -","- C22 H22 O Sn -","- C176 H176 O8 Sn8 -","8","2","","Dimopoulos, Paschalis; George, Jonathan; Tocher, Derek A.; Manaviazar, Soraya; Hale, Karl J.","Mechanistic studies on the O-directed free-radical hydrostannation of disubstituted acetylenes with Ph3SnH and Et3B and on the iodination of allylically oxygenated alpha-triphenylstannylalkenes.","Organic letters","2005","7","24","5377","5380","10.1021/ol051937d","","","0.71073","MoKα","","0.0588","0.0547","","","0.1333","0.1365","","","","","","1.064","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506728","15.4757","0.0009","40.118","0.002","7.287","0.0004","90","","90","","90","","4524.2","0.4","150","2","150","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C27 H28 O Sn -","- C27 H28 O Sn -","- C216 H224 O8 Sn8 -","8","1","","Dimopoulos, Paschalis; George, Jonathan; Tocher, Derek A.; Manaviazar, Soraya; Hale, Karl J.","Mechanistic studies on the O-directed free-radical hydrostannation of disubstituted acetylenes with Ph3SnH and Et3B and on the iodination of allylically oxygenated alpha-triphenylstannylalkenes.","Organic letters","2005","7","24","5377","5380","10.1021/ol051937d","","","0.71073","MoKα","","0.0548","0.0505","","","0.1135","0.1158","","","","","","1.108","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506729","19.425","0.002","13.9918","0.0015","11.2789","0.0012","90","","91.547","0.002","90","","3064.4","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 O2 Sn -","- C36 H34 O2 Sn -","- C144 H136 O8 Sn4 -","4","1","","Dimopoulos, Paschalis; George, Jonathan; Tocher, Derek A.; Manaviazar, Soraya; Hale, Karl J.","Mechanistic studies on the O-directed free-radical hydrostannation of disubstituted acetylenes with Ph3SnH and Et3B and on the iodination of allylically oxygenated alpha-triphenylstannylalkenes.","Organic letters","2005","7","24","5377","5380","10.1021/ol051937d","","","0.71073","MoKα","","0.0452","0.0334","","","0.0813","0.0883","","","","","","0.985","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506730","10.494","0.0016","9.1968","0.0014","26.727","0.004","90","","98.934","0.003","90","","2548.2","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H38 N2 O6 -","- C23 H38 N2 O6 -","- C92 H152 N8 O24 -","4","1","","Nair, Vijay; Biju, A. T.; Vinod, A. U.; Suresh, Eringathodi","Reaction of Huisgen zwitterion with 1,2-benzoquinones and isatins: expeditious synthesis of dihydro-1,2,3-benzoxadiazoles and spirooxadiazolines.","Organic letters","2005","7","23","5139","5142","10.1021/ol051956n","","","0.71073","MoKα","","0.1132","0.0811","","","0.1833","0.1986","","","","","","1.104","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506731","8.2282","0.0009","10.8106","0.0012","12.1252","0.0014","89.631","0.002","79.62","0.002","70.082","0.002","995.68","0.19","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N3 O5 -","- C21 H21 N3 O5 -","- C42 H42 N6 O10 -","2","1","","Nair, Vijay; Biju, A. T.; Vinod, A. U.; Suresh, Eringathodi","Reaction of Huisgen zwitterion with 1,2-benzoquinones and isatins: expeditious synthesis of dihydro-1,2,3-benzoxadiazoles and spirooxadiazolines.","Organic letters","2005","7","23","5139","5142","10.1021/ol051956n","","","0.71073","MoKα","","0.0876","0.0619","","","0.1664","0.1914","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506732","9.0402","0.0002","9.0402","0.0002","29.7809","0.001","90","","90","","90","","2433.85","0.11","298","","298","","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","Bbc-Phg-OMe","","","- C24 H24 N2 O8 -","- C24 H24 N2 O8 -","- C96 H96 N8 O32 -","4","0.5","","Ramesh, R.; Chandrasekaran, S.","But-2-ynylbisoxycarbonyl chloride: a novel C2-symmetric reagent for the protection of amines and amino acids.","Organic letters","2005","7","22","4947","4950","10.1021/ol051960z","","","0.71073","MoKα","","0.0638","0.0608","","","0.1285","0.13","","","","","","1.272","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506733","8.4","0.006","16.96","0.01","22.39","0.01","90","","90","","90","","3190","3","98.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H42 Bi Br3 N2 O6 -","- C24 H37 Bi Br3 N2 O6 -","- C96 H148 Bi4 Br12 N8 O24 -","4","1","","Kobayashi, Shü; Ogino, Tsuyoshi; Shimizu, Haruka; Ishikawa, Shunpei; Hamada, Tomoaki; Manabe, Kei","Bismuth triflate-chiral bipyridine complexes as water-compatible chiral Lewis acids.","Organic letters","2005","7","21","4729","4731","10.1021/ol051965w","","","0.7107","MoKα","","","0.051","","","","0.132","","","","","","1.007","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506734","12.791","0.005","11.2002","0.0017","14.029","0.004","90","","112.75","0.02","90","","1853.5","1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H50 O3 S2 Si -","- C41 H50 O3 S2 Si -","- C82 H100 O6 S4 Si2 -","2","1","","Leung, Leo M. H.; Boydell, A. James; Gibson, Vicky; Light, Mark E.; Linclau, Bruno","A stereoselective cyclization to carbafuranose derivatives starting from 1,4-bis-epoxides.","Organic letters","2005","7","23","5183","5186","10.1021/ol052009h","","","0.71073","MoKα","","0.1453","0.0663","","","0.1067","0.1293","","","","","","0.997","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506735","7.0222","0.0004","12.2044","0.0006","10.4549","0.0006","90","","95.631","0.001","90","","891.68","0.08","213","2","213","2","","","","","","","","3","P 1 21 1","P 2yb","4","MPPIM-B","MPPIM-B","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","2","","Doyle, Michael P.; Wang, Yuanhua; Ghorbani, Pejman; Bappert, Erhard","Amplification of asymmetric induction in sequential reactions of bis-diazoacetates catalyzed by chiral dirhodium(II) carboxamidates.","Organic letters","2005","7","22","5035","5038","10.1021/ol0520121","","","0.71073","MoKα","","0.0294","0.0277","","","0.0582","0.0594","","","","","","1","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506736","5.3861","0.0003","10.9679","0.0007","8.4107","0.0005","90","","107.867","0.001","90","","472.89","0.05","213","2","213","2","","","","","","","","3","P 1 21 1","P 2yb","4","MPPIM-A","MPPIM-A","","- C10 H12 O4 -","- C10 H12 O4 -","- C20 H24 O8 -","2","1","","Doyle, Michael P.; Wang, Yuanhua; Ghorbani, Pejman; Bappert, Erhard","Amplification of asymmetric induction in sequential reactions of bis-diazoacetates catalyzed by chiral dirhodium(II) carboxamidates.","Organic letters","2005","7","22","5035","5038","10.1021/ol0520121","","","0.71073","MoKα","","0.041","0.0354","","","0.0738","0.0782","","","","","","1","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506737","8.4475","0.0008","5.4646","0.0005","10.2032","0.0009","90","","99.118","0.002","90","","465.05","0.07","213","2","213","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","S-001-A","S-001-A","","- C10 H12 O4 -","- C10 H12 O4 -","- C20 H24 O8 -","2","0.5","","Doyle, Michael P.; Wang, Yuanhua; Ghorbani, Pejman; Bappert, Erhard","Amplification of asymmetric induction in sequential reactions of bis-diazoacetates catalyzed by chiral dirhodium(II) carboxamidates.","Organic letters","2005","7","22","5035","5038","10.1021/ol0520121","","","0.71073","MoKα","","0.0394","0.0354","","","0.0745","0.0776","","","","","","1","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506738","10.3478","0.0005","9.7922","0.0005","18.2446","0.0012","90","","90","","90","","1848.68","0.18","148","","148","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-[(4R)-3-((2S)-1-methylpyrrolidin-2-yl)-4-phenyl-(1,4-dihydropyridyl)]-2,2-dimethylpropan-1-one","","- C21 H28 N2 O -","- C21 H28 N2 O -","- C84 H112 N8 O4 -","4","1","","Comins, Daniel L.; King, Laura S.; Smith, Emilie D.; Février, Florence C","Synthesis of C-4 substituted nicotine derivatives via an N-acylpyridinium salt of (S)-nicotine.","Organic letters","2005","7","22","5059","5062","10.1021/ol0520469","","","0.71073","MolybdenumKα","","0.029","0.029","","0.033","0.033","","","","","1.26","1.26","","","","","has coordinates","303292","2025-12-29","11:50:18",""
"1506739","10.3948","0.0002","13.8919","0.0002","25.1936","0.0003","90.6016","0.0004","91.8742","0.0004","97.9594","0.0005","3600.65","0.1","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","6","P -1","-P 1","2","","","","- C154 H175 Cl3 N10 O3 Zn2 -","- C154 H175 Cl3 N10 O3 Zn2 -","- C154 H175 Cl3 N10 O3 Zn2 -","1","0.5","","Frampton, Michael J.; Akdas, Huriye; Cowley, Andrew R.; Rogers, Joy E.; Slagle, Jonathan E.; Fleitz, Paul A.; Drobizhev, Mikhail; Rebane, Aleksander; Anderson, Harry L.","Synthesis, crystal structure, and nonlinear optical behavior of beta-unsubstituted meso-meso E-vinylene-linked porphyrin dimers.","Organic letters","2005","7","24","5365","5368","10.1021/ol0520525","","","0.71073","MoKα","","0.1199","0.0805","","0.1224","0.0878","0.0878","","","","","","1.0727","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506740","9.3647","0.0007","10.3859","0.0007","13.1874","0.0008","90","","91.777","0.004","90","","1282","0.15","100","2","100","2","","","","","","","Synthesized by the authors. See text","6","P 1 n 1","P -2yac","7","","","","- C10 H11 F3 N2 O3 S -","- C10 H11 F3 N2 O3 S -","- C40 H44 F12 N8 O12 S4 -","4","2","","Charette, André B; Mathieu, Simon; Martel, Jonathan","Electrophilic activation of lactams with Tf2O and pyridine: expedient synthesis of (+/-)-tetraponerine T4.","Organic letters","2005","7","24","5401","5404","10.1021/ol052069n","","","1.54178","CuKα","","0.0709","0.0632","","","0.1686","0.176","","","","","","1.07","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506741","14.174","0.002","11.5857","0.0017","12.0325","0.0018","90","","90","","90","","1975.9","0.5","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H26 Cl2 N2 O2 -","- C18 H26 Cl2 N2 O2 -","- C72 H104 Cl8 N8 O8 -","4","1","","Lim, Yeon-Hee; Li, Tindy; Chen, Peiling; Schreiber, Patrick; Kuznetsova, Larissa; Carroll, Patrick J.; Lauher, Joseph W.; Sieburth, Scott McN","Asymmetry by electrophilic rearrangement of symmetric 2-pyridone photodimers.","Organic letters","2005","7","24","5413","5415","10.1021/ol052071e","","","0.71073","MoKα","","0.1306","0.0533","","","0.1322","0.1569","","","","","","0.97","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506742","12.8244","0.0017","16.1213","0.0018","12.0929","0.0014","90","","90","","90","","2500.2","0.5","143","1","143","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H38 Cl2 N2 O2 -","- C24 H38 Cl2 N2 O2 -","- C96 H152 Cl8 N8 O8 -","4","1","","Lim, Yeon-Hee; Li, Tindy; Chen, Peiling; Schreiber, Patrick; Kuznetsova, Larissa; Carroll, Patrick J.; Lauher, Joseph W.; Sieburth, Scott McN","Asymmetry by electrophilic rearrangement of symmetric 2-pyridone photodimers.","Organic letters","2005","7","24","5413","5415","10.1021/ol052071e","","","0.71069","MoKα","","0.054","0.0462","","","0.1344","0.1706","","","","","","1.116","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506743","25.354","0.002","25.354","0.002","18.437","0.002","90","","90","","120","","10263.9","1.6","143","1","143","1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H31 Cl N2 O3 -","- C20 H31 Cl N2 O3 -","- C360 H558 Cl18 N36 O54 -","18","1","","Lim, Yeon-Hee; Li, Tindy; Chen, Peiling; Schreiber, Patrick; Kuznetsova, Larissa; Carroll, Patrick J.; Lauher, Joseph W.; Sieburth, Scott McN","Asymmetry by electrophilic rearrangement of symmetric 2-pyridone photodimers.","Organic letters","2005","7","24","5413","5415","10.1021/ol052071e","","","0.71069","MoKα","","0.0762","0.0707","","","0.198","0.2048","","","","","","1.082","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506744","13.3595","0.0019","13.797","0.002","16.4","0.002","90","","90","","90","","3022.9","0.7","193","2","193","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H42 Cl3 Cr N2 O3 -","- C26 H42 Cl3 Cr N2 O3 -","- C104 H168 Cl12 Cr4 N8 O12 -","4","1","","Namba, Kosuke; Wang, Jiashi; Cui, Sheng; Kishi, Yoshito","Surprisingly efficient catalytic Cr-mediated coupling reactions.","Organic letters","2005","7","24","5421","5424","10.1021/ol052085k","","x-ray","0.71073","MoKα","","0.0854","0.0697","","","0.1555","0.164","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506745","13.7216","0.0002","14.7569","0.0002","15.8442","0.0003","90","","90","","90","","3208.26","0.09","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H45 Br3 O6 -","- C29 H45 Br3 O6 -","- C116 H180 Br12 O24 -","4","1","","Kubanek, Julia; Prusak, Anne C.; Snell, Terry W.; Giese, Rachel A.; Hardcastle, Kenneth I.; Fairchild, Craig R.; Aalbersberg, William; Raventos-Suarez, Carmen; Hay, Mark E.","Antineoplastic diterpene-benzoate macrolides from the Fijian red alga Callophycus serratus.","Organic letters","2005","7","23","5261","5264","10.1021/ol052121f","","","1.54178","CuKα","","0.0338","0.0322","","","0.0803","0.0812","","","","","","1.088","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506746","11.924","0.003","13.948","0.003","21.755","0.005","90","","90","","90","","3618.2","1.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30.5 H51 Br3 O7.5 -","- C30.5 H51 Br3 O7.5 -","- C122 H204 Br12 O30 -","4","1","","Kubanek, Julia; Prusak, Anne C.; Snell, Terry W.; Giese, Rachel A.; Hardcastle, Kenneth I.; Fairchild, Craig R.; Aalbersberg, William; Raventos-Suarez, Carmen; Hay, Mark E.","Antineoplastic diterpene-benzoate macrolides from the Fijian red alga Callophycus serratus.","Organic letters","2005","7","23","5261","5264","10.1021/ol052121f","","","1.54178","CuKα","","0.1265","0.1174","","","0.2729","0.2797","","","","","","1.117","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506747","10.4525","0.0002","21.2119","0.0004","24.7104","0.0004","90","","90","","90","","5478.73","0.17","296.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H52 Cl10 Fe N8 O6 -","- C43 H52 Cl10 Fe N8 O6 -","- C172 H208 Cl40 Fe4 N32 O24 -","4","1","","Moriuchi, Toshiyuki; Nagai, Takayoshi; Hirao, Toshikazu","Chirality organization of ferrocenes bearing dipeptide chains of heterochiral sequence.","Organic letters","2005","7","23","5265","5268","10.1021/ol052134t","","","0.7107","MoKα","","","0.0979","","","","0.2677","","","","","","2.033","","","","has coordinates","193981","2020-10-21","18:00:00",""
"1506748","21.0852","0.0005","24.6133","0.0007","10.401","0.0002","90","","90","","90","","5397.9","0.2","277.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C43 H52 Cl10 Fe N8 O6 -","- C43 H52 Cl10 Fe N8 O6 -","- C172 H208 Cl40 Fe4 N32 O24 -","4","1","","Moriuchi, Toshiyuki; Nagai, Takayoshi; Hirao, Toshikazu","Chirality organization of ferrocenes bearing dipeptide chains of heterochiral sequence.","Organic letters","2005","7","23","5265","5268","10.1021/ol052134t","","","0.7107","MoKα","","","0.096","","","","0.2639","","","","","","2.113","","","","has coordinates","193981","2020-10-21","18:00:00",""
"1506749","10.9029","0.0002","19.5118","0.0003","12.269","0.0001","90","","94.684","0.001","90","","2601.33","0.07","277.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 Fe N4 O3.5 -","- C24 H27 Fe N4 O3.5 -","- C96 H108 Fe4 N16 O14 -","4","2","","Moriuchi, Toshiyuki; Nagai, Takayoshi; Hirao, Toshikazu","Chirality organization of ferrocenes bearing dipeptide chains of heterochiral sequence.","Organic letters","2005","7","23","5265","5268","10.1021/ol052134t","","","0.7107","MoKα","","","0.0874","","","","0.2285","","","","","","1.349","","","","has coordinates","193981","2020-10-21","18:00:00",""
"1506750","10.9323","0.0002","19.5778","0.0004","12.2868","0.0003","90","","94.683","0.002","90","","2620.97","0.1","277.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 Fe N4 O3.5 -","- C24 H27 Fe N4 O3.5 -","- C96 H108 Fe4 N16 O14 -","4","2","","Moriuchi, Toshiyuki; Nagai, Takayoshi; Hirao, Toshikazu","Chirality organization of ferrocenes bearing dipeptide chains of heterochiral sequence.","Organic letters","2005","7","23","5265","5268","10.1021/ol052134t","","","0.7107","MoKα","","","0.082","","","","0.2202","","","","","","1.388","","","","has coordinates","193981","2020-10-21","18:00:00",""
"1506751","11.468","0.003","12.662","0.004","13.31","0.004","76.23","0.02","80.61","0.02","89.87","0.02","1850.7","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Fly051","((R,S)-5-hydroxy-2-morpholino-3-spiro-1'-cyclohexyl-2,3- dihydro-1,4-benzodioxin-6-yl)carboxylic methyl ester :[3h]","","- C19 H25 N O6 -","- C19 H25 N O6 -","- C76 H100 N4 O24 -","4","2","","Xu, Daiwang; Chiaroni, Angèle; Largeron, Martine","A one-pot regiospecific synthesis of highly functionalized 1,4-benzodioxin derivatives from an electrochemically induced Diels-Alder reaction.","Organic letters","2005","7","23","5273","5276","10.1021/ol052146e","","","0.71073","MoKα","","0.0748","0.0433","","","0.1013","0.1156","","","","","","1.023","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506752","9.2481","0.001","17.4891","0.0018","14.302","0.0015","90","","97.552","0.002","90","","2293.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H23 Cl O -","- C30 H23 Cl O -","- C120 H92 Cl4 O4 -","4","1","","Liu, Yuanhong; Song, Feijie; Song, Zhiquan; Liu, Meina; Yan, Bin","Gold-catalyzed cyclization of (Z)-2-en-4-yn-1-ols: highly efficient synthesis of fully substituted dihydrofurans and furans.","Organic letters","2005","7","24","5409","5412","10.1021/ol052160r","","","0.71073","MoKα","","0.0875","0.058","","","0.1353","0.1466","","","","","","0.93","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506753","13.8696","0.0019","13.8755","0.0019","13.9159","0.0019","85.57","0.003","60.812","0.002","83.295","0.003","2321.4","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H52 N6 O5 S -","- C52 H52 N6 O5 S -","- C104 H104 N12 O10 S2 -","2","1","","Sessler, Jonathan L.; Roznyatovskiy, Vladimir; Pantos, G. Dan; Borisova, Natalya E.; Reshetova, Marina D.; Lynch, Vincent M.; Khrustalev, Victor N.; Ustynyuk, Yuri A.","Synthesis and anion binding properties of 2,5-diamidothiophene polypyrrole Schiff base macrocycles.","Organic letters","2005","7","23","5277","5280","10.1021/ol052162b","","","0.71073","MoKα","","0.0587","0.0454","","","0.1005","0.1072","","","","","","1.007","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506754","11.4304","0.0002","18.0089","0.0004","21.9615","0.0006","100.204","0.001","104.918","0.001","99.903","0.001","4185.25","0.17","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C97 H89 Cl3 N12 O4 S2 -","- C97 H89 Cl3 N12 O4 S2 -","- C194 H178 Cl6 N24 O8 S4 -","2","1","","Sessler, Jonathan L.; Roznyatovskiy, Vladimir; Pantos, G. Dan; Borisova, Natalya E.; Reshetova, Marina D.; Lynch, Vincent M.; Khrustalev, Victor N.; Ustynyuk, Yuri A.","Synthesis and anion binding properties of 2,5-diamidothiophene polypyrrole Schiff base macrocycles.","Organic letters","2005","7","23","5277","5280","10.1021/ol052162b","","","0.71073","MoKα","","0.2203","0.0802","","","0.1521","0.1809","","","","","","1.183","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506755","11.1606","0.0002","15.0164","0.0003","16.1627","0.0004","75.206","0.001","71.898","0.001","69.268","0.001","2375.54","0.09","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H56 N6 O4 S -","- C51 H50 N6 O3 S -","- C102 H100 N12 O6 S2 -","2","1","","Sessler, Jonathan L.; Roznyatovskiy, Vladimir; Pantos, G. Dan; Borisova, Natalya E.; Reshetova, Marina D.; Lynch, Vincent M.; Khrustalev, Victor N.; Ustynyuk, Yuri A.","Synthesis and anion binding properties of 2,5-diamidothiophene polypyrrole Schiff base macrocycles.","Organic letters","2005","7","23","5277","5280","10.1021/ol052162b","","","0.71073","MoKα","","0.2467","0.0707","","","0.1336","0.1565","","","","","","0.963","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506756","14.368","0.002","9.905","0.002","16.546","0.002","90","","111.17","0.02","90","","2195.8","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N O S -","- C28 H21 N O S -","- C112 H84 N4 O4 S4 -","4","1","","Alajarín, Mateo; Ortín, María-Mar; Sánchez-Andrada, Pilar; Vidal, Angel; Bautista, Delia","From ketenimines to ketenes to quinolones: two consecutive pseudopericyclic events.","Organic letters","2005","7","23","5281","5284","10.1021/ol052189v","","","0.71073","MoKα","","0.06","0.0367","","","0.0809","0.0866","","","","","","0.927","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506757","22.577","0.005","20.294","0.004","37.95","0.008","90","","92.06","0.03","90","","17377","6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C82 H150 F10 N8 O S3 -","- C164 H116 F20 N8 S6 -","- C656 H464 F80 N32 S24 -","4","1","","Rath, Harapriya; Sankar, Jeyaraman; PrabhuRaja, Viswanathan; Chandrashekar, Tavarekere K.; Joshi, Bhawani S.","Aromatic core-modified twisted heptaphyrins[1.1.1.1.1.1.0]: syntheses and structural characterization.","Organic letters","2005","7","24","5445","5448","10.1021/ol0521937","","","0.71073","MoKα","","0.2069","0.1034","","","0.2533","0.2986","","","","","","0.9","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1506758","17.979","0.002","10.718","0.001","11.977","0.001","90","","104.943","0.008","90","","2229.9","0.4","298.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H25 N -","- C30 H25 N -","- C120 H100 N4 -","4","1","","Kanno, Ken-ichiro; Liu, Yuanhong; Iesato, Atsushi; Nakajima, Kiyohiko; Takahashi, Tamotsu","Chromium-mediated synthesis of polycyclic aromatic compounds from halobiaryls.","Organic letters","2005","7","24","5453","5456","10.1021/ol052214x","","","1.5418","CuKα","","","0.0984","","","","0.1373","","","","","","3.383","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506759","10.162","0.002","11.205","0.002","27.271","0.005","90","","90","","90","","3105.2","1","300","2","300","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C152 H152 N8 O16 -","8","1","","Xue, Dong; Chen, Ying-Chun; Wang, Qi-Wei; Cun, Ling-Feng; Zhu, Jin; Deng, Jin-Gen","Asymmetric direct vinylogous Michael reaction of activated alkenes to nitroolefins catalyzed by modified cinchona alkaloids.","Organic letters","2005","7","23","5293","5296","10.1021/ol052283b","","","0.71073","MoKα","","0.1027","0.0412","","","0.0766","0.0896","","","","","","0.847","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506760","8.829","0.001","8.999","0.001","20.21","0.002","78.48","0.01","88.69","0.01","84.74","0.01","1566.7","0.3","287","2","287","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 N2 -","- C20 H16 N2 -","- C80 H64 N8 -","4","2","","Xue, Dong; Chen, Ying-Chun; Wang, Qi-Wei; Cun, Ling-Feng; Zhu, Jin; Deng, Jin-Gen","Asymmetric direct vinylogous Michael reaction of activated alkenes to nitroolefins catalyzed by modified cinchona alkaloids.","Organic letters","2005","7","23","5293","5296","10.1021/ol052283b","","","0.71073","MoKα","","0.1113","0.0594","","","0.1624","0.1836","","","","","","0.87","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506761","9.153","0.001","12.666","0.002","15.801","0.002","90","","90","","90","","1831.8","0.4","288","2","288","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Cl N3 O2 -","- C21 H16 Cl N3 O2 -","- C84 H64 Cl4 N12 O8 -","4","1","","Xue, Dong; Chen, Ying-Chun; Wang, Qi-Wei; Cun, Ling-Feng; Zhu, Jin; Deng, Jin-Gen","Asymmetric direct vinylogous Michael reaction of activated alkenes to nitroolefins catalyzed by modified cinchona alkaloids.","Organic letters","2005","7","23","5293","5296","10.1021/ol052283b","","","0.71073","MoKα","","0.0716","0.046","","","0.1045","0.1138","","","","","","0.966","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506762","7.074","0.001","15.601","0.002","17.909","0.003","90","","91.76","0.02","90","","1975.5","0.5","287","2","287","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N3 O3 -","- C22 H19 N3 O3 -","- C88 H76 N12 O12 -","4","1","","Xue, Dong; Chen, Ying-Chun; Wang, Qi-Wei; Cun, Ling-Feng; Zhu, Jin; Deng, Jin-Gen","Asymmetric direct vinylogous Michael reaction of activated alkenes to nitroolefins catalyzed by modified cinchona alkaloids.","Organic letters","2005","7","23","5293","5296","10.1021/ol052283b","","","0.71073","MoKα","","0.0858","0.0416","","","0.0928","0.1048","","","","","","0.878","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506763","21.0502","0.0008","8.8331","0.0003","18.6791","0.0006","90","","107.3","0.002","90","","3316","0.2","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H25 N O5 -","- C17 H25 N O5 -","- C136 H200 N8 O40 -","8","1","","Denmark, Scott E.; Baiazitov, Ramil Y.","Intramolecular [4 + 2] cycloaddition of nitroalkenes for construction of vicinal quaternary stereocenters.","Organic letters","2005","7","25","5617","5620","10.1021/ol052316n","","","0.71073","MoKα","","0.0989","0.042","","","0.0805","0.0924","","","","","","0.873","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506764","10.5451","0.0004","14.2808","0.0006","10.7325","0.0004","90","","90.125","0.002","90","","1616.23","0.11","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 N O5 -","- C17 H25 N O5 -","- C68 H100 N4 O20 -","4","1","","Denmark, Scott E.; Baiazitov, Ramil Y.","Intramolecular [4 + 2] cycloaddition of nitroalkenes for construction of vicinal quaternary stereocenters.","Organic letters","2005","7","25","5617","5620","10.1021/ol052316n","","","0.71073","MoKα","","0.0807","0.0409","","","0.0812","0.0908","","","","","","0.886","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506765","8.0399","0.0016","14.829","0.003","22.669","0.005","105.23","0.03","100.18","0.03","93.56","0.03","2549.9","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H64 B2 S2 -","- C61 H64 B2 S2 -","- C122 H128 B4 S4 -","2","1","","Liu, Zhi-Qiang; Shi, Mei; Li, Fu-You; Fang, Qi; Chen, Zhang-Hai; Yi, Tao; Huang, Chun-Hui","Highly selective two-photon chemosensors for fluoride derived from organic boranes.","Organic letters","2005","7","24","5481","5484","10.1021/ol052323b","","","0.71073","MoKα","","0.272","0.145","","","0.2487","0.3007","","","","","","1.135","","","","has coordinates,has disorder","301775","2025-08-18","14:03:03",""
"1506766","9.686","0.004","23.733","0.009","25.31","0.009","90","","90","","90","","5818","4","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H40 Fe2 N2 O4 -","- C34 H40 Fe2 N2 O4 -","- C272 H320 Fe16 N16 O32 -","8","2","","Fukuzawa, Shin-ichi; Yahara, Yuusuke; Kamiyama, Akira; Hara, Masumi; Kikuchi, Satoshi","Stereoselective pinacol coupling of chiral formylferrocene using divalent samarium triflate: preparation of a new chiral bisferrocenyl oxazoline ligand and its application to asymmetric Diels-Alder reactions.","Organic letters","2005","7","26","5809","5812","10.1021/ol0523291","","","0.7107","MoKα","","","0.053","","","","0.054","","","","","","1.028","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506767","12.647","0.003","11.666","0.003","20.496","0.005","90","","95.638","0.004","90","","3009.3","1.3","123.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H40 Fe2 N2 O4 -","- C34 H38 Fe2 N2 O4 -","- C136 H152 Fe8 N8 O16 -","4","2","","Fukuzawa, Shin-ichi; Yahara, Yuusuke; Kamiyama, Akira; Hara, Masumi; Kikuchi, Satoshi","Stereoselective pinacol coupling of chiral formylferrocene using divalent samarium triflate: preparation of a new chiral bisferrocenyl oxazoline ligand and its application to asymmetric Diels-Alder reactions.","Organic letters","2005","7","26","5809","5812","10.1021/ol0523291","","","0.7107","MoKα","","","0.061","","","","0.062","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506768","11.484","0.005","12.169","0.006","18.868","0.009","90","","90","","90","","2637","2","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H40 Fe2 N2 O2 -","- C30 H40 Fe2 N2 O2 -","- C120 H160 Fe8 N8 O8 -","4","1","","Fukuzawa, Shin-ichi; Yahara, Yuusuke; Kamiyama, Akira; Hara, Masumi; Kikuchi, Satoshi","Stereoselective pinacol coupling of chiral formylferrocene using divalent samarium triflate: preparation of a new chiral bisferrocenyl oxazoline ligand and its application to asymmetric Diels-Alder reactions.","Organic letters","2005","7","26","5809","5812","10.1021/ol0523291","","","0.7107","MoKα","","","0.061","","","","0.062","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506769","12.632","0.008","7.864","0.004","14.964","0.01","90","","101.258","0.007","90","","1457.9","1.5","173","2","173","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H8 Se4 -","- C16 H8 Se4 -","- C64 H32 Se16 -","4","1","","Okamoto, Toshihiro; Kudoh, Kenichi; Wakamiya, Atsushi; Yamaguchi, Shigehiro","General synthesis of thiophene and selenophene-based heteroacenes.","Organic letters","2005","7","23","5301","5304","10.1021/ol0523650","","","0.7107","MoKα","","0.0521","0.051","","","0.1309","0.132","","","","","","1.085","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506770","7.933","0.004","26.589","0.015","5.906","0.003","90","","90","","90","","1245.8","1.1","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C16 H8 S3 -","- C16 H8 S3 -","- C64 H32 S12 -","4","0.5","","Okamoto, Toshihiro; Kudoh, Kenichi; Wakamiya, Atsushi; Yamaguchi, Shigehiro","General synthesis of thiophene and selenophene-based heteroacenes.","Organic letters","2005","7","23","5301","5304","10.1021/ol0523650","","","0.7107","MoKα","","0.0422","0.0417","","","0.0913","0.0915","","","","","","1.218","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506771","11.014","0.001","13.147","0.002","4.8355","0.0006","95.35","0.01","97.18","0.01","113.337","0.008","629.98","0.15","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C26 H30 N2 O8 -","2","1","","Minami, Kimi; Kawamura, Yasufumi; Koga, Koichi; Hosokawa, Takahiro","Palladium(II)-catalyzed oxidative transformation of allylic alcohols and vinyl ethers into 2-alkoxytetrahydrofurans: catechol as an activator of catalyst.","Organic letters","2005","7","25","5689","5692","10.1021/ol052377l","","","0.7107","MoKα","","","0.0607","","","","0.2061","","","","","","1.498","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506772","19.238","0.004","12.755","0.003","15.148","0.003","90","","124.62","0.01","90","","3058.9","1.2","298.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C128 H152 N8 O40 -","8","1","","Minami, Kimi; Kawamura, Yasufumi; Koga, Koichi; Hosokawa, Takahiro","Palladium(II)-catalyzed oxidative transformation of allylic alcohols and vinyl ethers into 2-alkoxytetrahydrofurans: catechol as an activator of catalyst.","Organic letters","2005","7","25","5689","5692","10.1021/ol052377l","","","0.7107","MoKα","","","0.0523","","","","0.1634","","","","","","0.991","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506773","7.6022","0.0001","9.2365","0.0002","12.431","0.0002","102.263","0.001","96.458","0.001","100.565","0.001","828.02","0.03","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C18 H26 N2 O3 -","- C18 H26 N2 O3 -","- C36 H52 N4 O6 -","2","1","","Sales, Marcelo; Charette, André B","A Diels-Alder approach to the stereoselective synthesis of 2,3,5,6-tetra- and 2,3,4,5,6-pentasubstituted piperidines.","Organic letters","2005","7","26","5773","5776","10.1021/ol052436v","","","1.54178","CuKα","","0.0489","0.0457","","","0.1356","0.1391","","","","","","1.034","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506774","10.685","0.003","24.806","0.006","8.872","0.002","90","","108.68","0.03","90","","2227.7","1","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","C 1 c 1","C -2yc","9","","","","- C24 H33 N O4 -","- C24 H33 N O4 -","- C96 H132 N4 O16 -","4","1","","Sales, Marcelo; Charette, André B","A Diels-Alder approach to the stereoselective synthesis of 2,3,5,6-tetra- and 2,3,4,5,6-pentasubstituted piperidines.","Organic letters","2005","7","26","5773","5776","10.1021/ol052436v","","","1.54178","CuKα","","0.0518","0.0418","","","0.0891","0.0921","","","","","","1.021","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506775","9.2671","0.0013","14.343","0.002","12.2312","0.0017","90","","95.604","0.002","90","","1618","0.4","163","2","163","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H60 O Si3 -","- C27 H59 O Si3 -","- C54 H118 O2 Si6 -","2","1","","Cleary, Pamela A.; Woerpel, K. A.","Metal-catalyzed rearrangement of homoallylic ethers to silylmethyl allylic silanes in the presence of a Di-tert-butylsilylene source.","Organic letters","2005","7","24","5531","5533","10.1021/ol052456x","","","0.71073","MoKα","","0.1215","0.1043","","","0.2569","0.2778","","","","","","1.094","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506776","15.45","0.004","9.102","0.002","15.6427","0.0004","90","","109.702","0.004","90","","2071","0.7","113.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 O6 -","- C27 H20 O6 -","- C108 H80 O24 -","4","1","","Lumb, Jean-Philip; Trauner, Dirk","Pericyclic reactions of prenylated naphthoquinones: biomimetic syntheses of mollugin and microphyllaquinone.","Organic letters","2005","7","26","5865","5868","10.1021/ol052472u","","","0.7107","MoKα","","0.209","0.0908","","0.1194","","0.0997","","","","","","2.331","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506777","8.798","0.002","9.098","0.002","13.336","0.003","85.941","0.004","80.845","0.003","88.91","0.004","1051.2","0.4","113.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C27 H19 O6 -","- C27 H17 O6 -","- C54 H34 O12 -","2","1","","Lumb, Jean-Philip; Trauner, Dirk","Pericyclic reactions of prenylated naphthoquinones: biomimetic syntheses of mollugin and microphyllaquinone.","Organic letters","2005","7","26","5865","5868","10.1021/ol052472u","","","0.7107","MoKα","","0.1293","0.0777","","0.1062","","0.098","","","","","","3.228","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506778","30.718","0.003","6.6546","0.0006","26.833","0.003","90","","105.942","0.002","90","","5274.1","0.9","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H31 Br O3 Si -","- C28 H31 Br O3 Si -","- C224 H248 Br8 O24 Si8 -","8","1","","Sasaki, Michiko; Higashi, Mariko; Masu, Hyuma; Yamaguchi, Kentaro; Takeda, Kei","Asymmetric [2,3]-Wittig rearrangement induced by a chiral carbanion whose chirality was transferred from an epoxide.","Organic letters","2005","7","26","5913","5915","10.1021/ol052544h","","","0.71073","MoKα","","0.1402","0.0669","","","0.1672","0.208","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506779","14.219","0.009","17.256","0.01","19.305","0.012","90","","90","","90","","4737","5","180","2","180","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H41 Cl10 N2 O2 Rh S -","- C40 H41 Cl10 N2 O2 Rh S -","- C160 H164 Cl40 N8 O8 Rh4 S4 -","4","1","","Matharu, Daljit S.; Morris, David J.; Kawamoto, Aparecida M.; Clarkson, Guy J.; Wills, Martin","A stereochemically well-defined rhodium(III) catalyst for asymmetric transfer hydrogenation of ketones.","Organic letters","2005","7","24","5489","5491","10.1021/ol052559f","","","0.71073","MoKα","","0.13","0.057","","","0.1279","0.1641","","","","","","0.973","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506780","6.3947","0.0002","9.4295","0.0002","21.418","0.0005","90","","96.469","0.001","90","","1283.26","0.06","150","2","150","2","","","","","","","Hon Lam. No reaction number given.","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 N O3 -","- C14 H19 N O3 -","- C56 H76 N4 O12 -","4","1","","Lam, Hon Wai; Murray, Gordon J.; Firth, James D.","Diastereoselective synthesis of 4-hydroxypiperidin-2-ones via Cu(I)-catalyzed reductive aldol cyclization.","Organic letters","2005","7","25","5743","5746","10.1021/ol052599j","","","0.71073","MoKα","","0.0664","0.0548","","","0.1318","0.1384","","","","","","1.118","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506781","20.693","0.002","5.8798","0.0007","13.1078","0.0018","90","","98.577","0.007","90","","1577","0.3","150","2","150","2","","","","","","","Hon Lam, reaction 1/35/2","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","","Lam, Hon Wai; Murray, Gordon J.; Firth, James D.","Diastereoselective synthesis of 4-hydroxypiperidin-2-ones via Cu(I)-catalyzed reductive aldol cyclization.","Organic letters","2005","7","25","5743","5746","10.1021/ol052599j","","","0.71073","MoKα","","0.0681","0.047","","","0.1232","0.1326","","","","","","1.041","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506782","20.3081","0.0008","6.8444","0.0003","10.4444","0.0005","90","","98.961","0.003","90","","1434.02","0.11","150","","150","","","","","","","","H. Lam","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N O3 -","- C15 H21 N O3 -","- C60 H84 N4 O12 -","4","1","","Lam, Hon Wai; Murray, Gordon J.; Firth, James D.","Diastereoselective synthesis of 4-hydroxypiperidin-2-ones via Cu(I)-catalyzed reductive aldol cyclization.","Organic letters","2005","7","25","5743","5746","10.1021/ol052599j","","","0.71073","MoKα","","0.0795","0.0547","","0.1294","0.1179","0.1294","","","","","","0.9818","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506783","20.655","0.0003","6.0188","0.0001","13.3363","0.0002","90","","97.128","0.001","90","","1645.13","0.04","150","","150","","","","","","","","G. Murray","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Lam, Hon Wai; Murray, Gordon J.; Firth, James D.","Diastereoselective synthesis of 4-hydroxypiperidin-2-ones via Cu(I)-catalyzed reductive aldol cyclization.","Organic letters","2005","7","25","5743","5746","10.1021/ol052599j","","","0.71073","MoKα","","0.0811","0.0558","","0.1297","0.1184","0.1297","","","","","","0.9474","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506784","6.4784","0.0005","9.8027","0.0009","26.807","0.003","90","","90","","90","","1702.4","0.3","150","","150","","","","","","","","G. Murray","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O5 -","- C17 H23 N O5 -","- C68 H92 N4 O20 -","4","1","","Lam, Hon Wai; Murray, Gordon J.; Firth, James D.","Diastereoselective synthesis of 4-hydroxypiperidin-2-ones via Cu(I)-catalyzed reductive aldol cyclization.","Organic letters","2005","7","25","5743","5746","10.1021/ol052599j","","","0.71073","MoKα","","0.0743","0.0442","","0.1042","0.0905","0.1042","","","","","","0.941","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506785","6.5512","0.0013","17.231","0.004","8.6956","0.0018","90","","104.558","0.003","90","","950.1","0.4","150","","150","","","","","","","","G. Murray","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C40 H54 N2 O10 -","2","1","","Lam, Hon Wai; Murray, Gordon J.; Firth, James D.","Diastereoselective synthesis of 4-hydroxypiperidin-2-ones via Cu(I)-catalyzed reductive aldol cyclization.","Organic letters","2005","7","25","5743","5746","10.1021/ol052599j","","","0.71073","MoKα","","0.0649","0.0516","","0.1099","0.1036","0.1099","","","","","","1.0371","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506786","9.757","0.003","10.425","0.003","11.465","0.004","90","","90","","90","","1166.2","0.6","207","2","207","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O2 -","- C13 H20 O2 -","- C52 H80 O8 -","4","1","","Lavigne, Roch M. A.; Riou, Maxime; Girardin, Mélina; Morency, Louis; Barriault, Louis","Synthesis of highly functionalized bicyclo[m.n.1]alkanones via a cationic reaction cascade.","Organic letters","2005","7","26","5921","5923","10.1021/ol0527072","","","0.71073","MoKα","","0.0415","0.0368","","","0.0835","0.0854","","","","","","1.052","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506787","6.444","0.003","11.881","0.005","17.404","0.007","104.598","0.008","90.33","0.009","93.691","0.009","1286.4","1","207","2","207","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H36 O6 -","- C31 H36 O6 -","- C62 H72 O12 -","2","1","","Lavigne, Roch M. A.; Riou, Maxime; Girardin, Mélina; Morency, Louis; Barriault, Louis","Synthesis of highly functionalized bicyclo[m.n.1]alkanones via a cationic reaction cascade.","Organic letters","2005","7","26","5921","5923","10.1021/ol0527072","","","0.71073","MoKα","","0.1335","0.1068","","","0.2915","0.3058","","","","","","1.163","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506788","11.07","0.005","18.754","0.009","8.287","0.004","90","","90","","90","","1720.4","1.4","207","2","207","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C20 H28 O3 -","- C20 H28 O3 -","- C80 H112 O12 -","4","1","","Lavigne, Roch M. A.; Riou, Maxime; Girardin, Mélina; Morency, Louis; Barriault, Louis","Synthesis of highly functionalized bicyclo[m.n.1]alkanones via a cationic reaction cascade.","Organic letters","2005","7","26","5921","5923","10.1021/ol0527072","","","0.71073","MoKα","","0.0869","0.0544","","","0.0935","0.1032","","","","","","1.007","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1507417","9.3582","0.0003","11.2325","0.0003","11.0655","0.0004","90","","94.2238","0.0012","90","","1160","0.06","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H22 N P -","- C31 H22 N P -","- C62 H44 N2 P2 -","2","1","","Lim, Chung Woo; Tissot, Olivier; Mattison, Andrew; Hooper, Mark W.; Brown, John M.; Cowley, Andrew R.; Hulmes, David I.; Blacker, A. John","Practical Preparation and Resolution of 1-(2‘-Diphenylphosphino-1‘-naphthyl)isoquinoline: A Useful Ligand for Catalytic Asymmetric Synthesis","Organic Process Research & Development","2003","7","3","379","","10.1021/op034007n","","","0.71073","MoKα","","","0.0327","","","","0.0331","","","","","","1.0648","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1507418","8.646","0.002","8.761","0.003","11.811","0.007","109.19","0.07","105.72","0.03","99.38","0.04","781.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H23 N2 O4 P -","- C12 H23 N2 O4 P -","- C24 H46 N4 O8 P2 -","2","1","","Satish Kumar, N.; Kumaraswamy, Sudha; Said, Musa A.; Kumara Swamy, K. C.","Hydrolysis of Cyclic Phosphites/Phosphoramidites and Its Inhibition-Reversible Cyclization of Acyclic Phosphonate Salts to Cyclic Phosphites","Organic Process Research & Development","2003","7","6","925","928","10.1021/op034058k","","","0.71073","MoKα","","0.0933","0.0635","","","0.1726","0.1968","","","","","","1.184","","","","has coordinates","301775","2025-08-18","14:03:04",""
"1509210","8.089","","5.312","","6.752","","90","","90","","90","","290.125","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Ag (B F4)","","- Ag B F4 -","- Ag B F4 -","- Ag4 B4 F16 -","4","0.5","","Goreshnik, E.; Mazej, Z.","X-ray single crystal structure and vibrational spectra of Ag B F4","Solid State Sciences","2005","7","","1225","1229","10.1016/j.solidstatesciences.2005.06.007","","","","","","","","","","","","","","","","","","","","","has coordinates","301775","2025-08-18","14:03:06",""
"1509230","5.98","","5.98","","5.98","","90","","90","","90","","213.847","","","","","","","","","","","","","5","F m -3 m","-F 4 2 3","225","","(Ag Sb0.5 Bi0.5) (Se Te)","","- Ag Bi0.5 Sb0.5 Se Te -","- Ag Bi0.5 Sb0.5 Se Te -","- Ag2 Bi Sb Se2 Te2 -","2","0.0104167","","Geller, S.; Benson, K.E.; Wernick, J.H.","Constitution of the Ag Sb Se2 - Ab Sb Te2 - Ag Bi Se2 Ab Bi Te2 system","Journal of Physics and Chemistry of Solids","1958","7","","240","248","10.1016/0022-3697(58)90268-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509231","5.81","","5.81","","5.81","","90","","90","","90","","196.123","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ag Sb0.5 Bi0.5 Se2","","- Ag Bi0.5 Sb0.5 Se2 -","- Ag Bi0.5 Sb0.5 Se2 -","- Ag2 Bi Sb Se4 -","2","0.0104167","","Geller, S.; Wernick, J.H.; Benson, K.E.","Constitution of the Ag Sb Se2 - Ab Sb Te2 - Ag Bi Se2 Ab Bi Te2 system","Journal of Physics and Chemistry of Solids","1958","7","","240","248","10.1016/0022-3697(58)90268-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509233","6.118","","6.118","","6.118","","90","","90","","90","","228.996","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","(Ag Sb0.5 Bi0.5) Te2","","- Ag Bi0.5 Sb0.5 Te2 -","- Ag Bi0.5 Sb0.5 Te2 -","- Ag2 Bi Sb Te4 -","2","0.0104167","","Geller, S.; Wernick, J.H.; Benson, K.E.","Constitution of the Ag Sb Se2 - Ab Sb Te2 - Ag Bi Se2 - Ab Bi Te2 system","Journal of Physics and Chemistry of Solids","1958","7","","240","248","10.1016/0022-3697(58)90268-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509241","6.004","","6.004","","6.004","","90","","90","","90","","216.432","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","(Ag Bi) (Se0.98 Te1.02)","","- Ag Bi Se0.98 Te1.02 -","- Ag Bi Se0.98 Te1.02 -","- Ag2 Bi2 Se1.96 Te2.04 -","2","0.0104167","","Benson, K.E.; Geller, S.; Wernick, J.H.","Constitution of the Ag Sb Se2 - Ab Sb Te2 - Ag Bi Se2 - Ab Bi Te2 system","Journal of Physics and Chemistry of Solids","1958","7","","240","248","10.1016/0022-3697(58)90268-3","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509319","3.34","","4.57","","4.65","","90","","84.5","","90","","70.65","","","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- Ag F2 -","- Ag F2 -","- Ag2 F4 -","2","0.5","","Lukyanychev, Y.A.; Baturina, E.A.; Rastorguev, L.N.","Structure of silver difluoride","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1966","7","","627","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509411","6.23","","6.23","","6.23","","90","","90","","90","","241.804","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Ag In Te2 -","- Ag In Te2 -","- Ag2 In2 Te4 -","2","0.0208333","","Weiss, A.; Range, K.J.; Engert, G.","High pressure transformations of ternary chalcogenides with cholcopyrite-structure. I. Indiem containing compounds","Solid State Communications","1969","7","","1749","1752","10.1016/0038-1098(69)90277-4","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509531","5.94","","5.94","","5.94","","90","","90","","90","","209.585","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Ag Sb Se Te -","- Ag Sb Se Te -","- Ag2 Sb2 Se2 Te2 -","2","0.0104167","","Wernick, J.H.; Geller, S.; Benson, K.E.","Constitution of the Ag Sb Se2 - Ab Sb Te2 - Ag Bi Se2 Ab Bi Te2 system","Journal of Physics and Chemistry of Solids","1958","7","","240","248","10.1016/0022-3697(58)90268-3","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509571","4.566","","4.566","","3.986","","90","","90","","90","","83.102","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","","","- Ag Zr3 -","- Ag Zr3 -","- Ag Zr3 -","1","0.0625","","Karlsson, N.","An X-ray study of the phases in the silver-zirconium system","Acta Chemica Scandinavica (1-27,1973-42,1988)","1952","7","","379","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509846","4.099","","4.099","","4.099","","90","","90","","90","","68.871","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ag94 Er6)0.04","","- Ag3.76 Er0.24 -","- Ag3.76 Er0.24 -","- Ag3.76 Er0.24 -","1","0.00520833","","Ning, Y.; Dai, H.; Zhou, X.","Metastable extension of solid solubitity if heavy RE in Ag","Chinese Journal of Metal Science and Technology","1991","7","","391","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509860","4.0914","","4.0914","","4.0914","","90","","90","","90","","68.488","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ag98 Y2)0.04","","- Ag3.92 Y0.08 -","- Ag3.92 Y0.08 -","- Ag3.92 Y0.08 -","1","0.00520833","","Ning, Y.; Dai, H.; Zhou, X.","Metastable extension of solid solubitity if heavy RE in Ag","Chinese Journal of Metal Science and Technology","1991","7","","391","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509867","4.088","","4.088","","4.088","","90","","90","","90","","68.318","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ag99 Yb)0.04","","- Ag3.96 Yb0.04 -","- Ag3.96 Yb0.04 -","- Ag3.96 Yb0.04 -","1","0.00520833","","Zhou, X.; Dai, H.; Ning, Y.","Metastable extension of solid solubility of heavy RE in Ag","Chinese Journal of Metal Science and Technology","1991","7","","391","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509868","4.089","","4.089","","4.089","","90","","90","","90","","68.368","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ag3.988 Eu0.012 -","- Ag3.988 Eu0.012 -","- Ag3.988 Eu0.012 -","1","0.00520833","","Dai, H.; Ning, Y.; Zhou, X.","Metastable extension of solid solubility of heavy RE in Ag","Chinese Journal of Metal Science and Technology","1991","7","","391","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509911","13.834","","7.657","","13.643","","90","","90.08","","90","","1445.16","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ag5 Te1.9 Se0.1 Cl","","- Ag5 Cl Se0.1 Te1.9 -","- Ag5 Cl Se0.10415 Te1.89585 -","- Ag40 Cl8 Se0.8332 Te15.1668 -","8","2","","Dreher, C.; Nilges, T.; Hezinger, A.","Structures, phase transitions and electrical properties of Ag5 Te(2-y) Se(y) Cl (y = 0-0.7)","Solid State Sciences","2005","7","","79","88","10.1016/j.solidstatesciences.2004.10.012","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509912","9.708","","9.708","","7.771","","90","","90","","90","","732.38","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Ag5 Te1.7 Se0.3 Cl","","- Ag5 Cl Se0.3 Te1.7 -","- Ag5 Cl Se0.3 Te1.7 -","- Ag20 Cl4 Se1.2 Te6.8 -","4","0.125","","Nilges, T.; Dreher, C.; Hezinger, A.","Structures, phase transitions and electrical properties of Ag5 Te(2-y) Se(y) Cl (y = 0-0.7)","Solid State Sciences","2005","7","","79","88","10.1016/j.solidstatesciences.2004.10.012","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510027","6.048","","6.048","","6.048","","90","","90","","90","","221.226","","","","","","","","","","","","","3","P -4 3 n","P -4n 2 3","218","","Ag3 P O4","","- Ag3 O4 P -","- Ag3 O4 P -","- Ag6 O8 P2 -","2","0.0833333","","Deschizeaux-Cheruy, M.N.; Capponi, J.J.; Vincent, H.; Aubert, J.J.; Joubert, J.C.","Relation entre structure et conductivite ionique basse temperature de Ag3 P O4","Solid State Ionics","1982","7","","171","176","10.1016/0167-2738(82)90011-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510091","4.7694","","4.7694","","4.7694","","90","","90","","90","","108.49","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Cs Au Cl3","","- Au Cl3 Cs -","- Au Cl3 Cs -","- Au Cl3 Cs -","1","0.0208333","","Hafner, S.S.; Kojima, N.; Ahsbahs, H.; Matsushita, N.","Crystal structure of mixed valence gold compound, Cs2 Au(I) Au(III) Cl6 up to 18 GPa","Rev. High Pressure Sci. Technol.","1998","7","","329","331","10.4131/jshpreview.7.329","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510382","6.9359","","6.9359","","10.0877","","90","","90","","90","","485.286","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Cs2 Au2 Cl6","","- Au2 Cl6 Cs2 -","- Au2 Cl6 Cs2 -","- Au4 Cl12 Cs4 -","2","0.0625","","Ahsbahs, H.; Matsushita, N.; Kojima, N.; Hafner, S.S.","Crystal structure of mixed valence gold compound, Cs2 Au(I) Au(III) Cl6 up to 18 GPa","Rev. High Pressure Sci. Technol.","1998","7","","329","331","10.4131/jshpreview.7.329","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510530","6.0615","","6.0615","","6.0615","","90","","90","","90","","222.71","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Au19 Ga40 Pd)0.2","","- Au3.8 Ga8 Pd0.2 -","- Au3.8 Ga8 Pd0.2 -","- Au3.8 Ga8 Pd0.2 -","1","0.00520833","","Warren, W.W.jr.; Wernick, J.H.; Storm, A.R.; DiSalvo, F.J.; Menth, A.; Shaw, R.W.jr.","Nuclear magnetic resonance, magnetic susceptibility and lattice constants of solid and liquid Au Ga2, Au0.95 Pd0.05 Ga2, and Au In2","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1973","7","","1247","1263","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510665","3.28","","3.28","","3.79","","90","","90","","120","","35.312","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Er B2","","- B2 Er -","- B2 Er -","- B2 Er -","1","0.0416667","","Castellano, R.N.","Crystal growth of Tm B2 and Er B2","Materials Research Bulletin","1972","7","","261","266","10.1016/0025-5408(72)90202-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510814","5.898","","5.898","","3.189","","90","","90","","90","","110.934","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Re Ti2 B2","","- B2 Re Ti2 -","- B2 Re Ti2 -","- B4 Re2 Ti4 -","2","0.125","","Kuz'ma, Yu.B.","The systems Ti-Co-B anf Ti-Re-B","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1971","7","","452","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510922","6.8822","","4.9945","","12.5748","","90","","92.954","","90","","431.661","","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","K Zn4 B3 O9","","- B3 K O9 Zn4 -","- B3 K O9 Zn4 -","- B6 K2 O18 Zn8 -","2","0.5","","Cheng, W.-D.; Kan, Z.-G.; Zhang, H.; Gong, Y.-J; Zhang, Y.-J.; Chen, D.-G.; Wu, D.-S.","Synthesis, band structures and optical properties of Zn3 B2 O6 and K Zn4 B3 O9","Solid State Sciences","2005","7","","179","188","10.1016/j.solidstatesciences.2004.09.001","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511184","8.509","","8.509","","4.808","","90","","90","","90","","348.114","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Y (Fe3.04 Ti0.52 B0.43) Fe8 Ti0.39","","- B0.43 Fe11.04 Ti0.91 Y -","- B0.4348 Fe11.0448 Ti0.9148 Y -","- B0.8696 Fe22.0896 Ti1.8296 Y2 -","2","0.0625","","Zhang, B.-S.; Du Honglin; Zhang, Z.-D.; Yang, J.-L.; Zhang, D.; Chuang, Y.C.","Neutron diffraction study of the boride Y (Fe11.04 Ti0.52 B0.43) Ti0.39: a new phase of a ThMn12-type intermatallic interstitial compound","Journal of Physics: Condensed Matter","1995","7","","2587","2592","10.1088/0953-8984/7/13/008","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511448","12.2255","","12.2255","","5.446","","90","","90","","120","","704.923","","","","","","","","","","","","","6","P -6","P -6","174","","Ba4 Nd7 (Si12 N23 O) (B N3)","","- B Ba4 N26 Nd7 O Si12 -","- B Ba4 N25.9992 Nd7 O1.0008 Si12 -","- B Ba4 N25.9992 Nd7 O1.0008 Si12 -","1","0.166667","","Orth, M.; Schnick, W.; Hoffmann, R.D.; Poettgen, R.","Orthonitridoborate ions (B N3)(56-) in orthonitridosilicate cages: synthesis, crystal structure and magnetic properties of Ba4 Pr7 (Si12 N23 O) (B N3), Ba4 Nd7 (Si12 N23 O) (B N3) and Ba4 Sm7 (Si12 N23 O) (B N3)","Chemistry - A European Journal","2001","7","","2791","2797","10.1002/1521-3765(20010702)7:13<2791::AID-CHEM2791>3.0.CO;2-Q","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511449","12.2568","","12.2568","","5.4483","","90","","90","","120","","708.836","","","","","","","","","","","","","6","P -6","P -6","174","","Ba4 Pr7 (Si12 N23 O) (B N3)","","- B Ba4 N26 O Pr7 Si12 -","- B Ba4 N25.9992 O1.0008 Pr7 Si12 -","- B Ba4 N25.9992 O1.0008 Pr7 Si12 -","1","0.166667","","Orth, M.; Schnick, W.; Poettgen, R.; Hoffmann, R.D.","Orthonitridoborate ions (B N3)(56-) in orthonitridosilicate cages: synthesis, crystal structure and magnetic properties of Ba4 Pr7 (Si12 N23 O) (B N3), Ba4 Nd7 (Si12 N23 O) (B N3) and Ba4 Sm7 (Si12 N23 O) (B N3)","Chemistry - A European Journal","2001","7","","2791","2797","10.1002/1521-3765(20010702)7:13<2791::AID-CHEM2791>3.0.CO;2-Q","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511450","12.1597","","12.1597","","5.428","","90","","90","","120","","695.05","","","","","","","","","","","","","6","P -6","P -6","174","","Ba4 Sm7 (Si12 N23 O) (B N3)","","- B Ba4 N26 O Si12 Sm7 -","- B Ba4 N25.9992 O1.0008 Si12 Sm7 -","- B Ba4 N25.9992 O1.0008 Si12 Sm7 -","1","0.166667","","Orth, M.; Poettgen, R.; Schnick, W.; Hoffmann, R.D.","Orthonitridoborate ions (B N3)(56-) in orthonitridosilicate cages: synthesis, crystal structure and magnetic properties of Ba4 Pr7 (Si12 N23 O) (B N3), Ba4 Nd7 (Si12 N23 O) (B N3) and Ba4 Sm7 (Si12 N23 O) (B N3)","Chemistry - A European Journal","2001","7","","2791","2797","10.1002/1521-3765(20010702)7:13<2791::AID-CHEM2791>3.0.CO;2-Q","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511576","10.678","","10.678","","10.678","","90","","90","","90","","1217.5","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ce2 Ni21 B6","","- B6 Ce2 Ni21 -","- B6 Ce2 Ni21 -","- B24 Ce8 Ni84 -","4","0.0208333","","Bilinizhko, N.S.; Kuz'ma, Yu.B.","The system Ce-Ni-B","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1971","7","","542","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511622","4.943","","4.943","","17.161","","90","","90","","120","","363.124","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Lu5 Ni19 B6","","- B6 Lu5 Ni19 -","- B6 Lu5 Ni19 -","- B6 Lu5 Ni19 -","1","0.0416667","","Dub, O.M.; Chaban, N.F.; Kuz'ma, Yu.B.","Neuer Strukturtyp von Lu5 Ni19 B6","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya B: Geol., Khim., Biol. Nauki","1985","7","","36","39","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511657","12.132","","12.132","","12.132","","90","","90","","90","","1785.65","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Cr3 (B7 O13 Cl)","","- B7 Cl Cr3 O13 -","- B7 Cl Cr3 O13 -","- B56 Cl8 Cr24 O104 -","8","0.0833333","","Nelmes, R.J.; Thornley, F.R.","Structural studies of boracites. The cubic phase of chromium chlorine boracite, Cr3 B7 O13 Cl","Journal of Physics C","1974","7","","3855","3874","10.1088/0022-3719/7/21/009","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513309","38.544","0.022","8.2161","0.0039","26.46","0.015","90","","120.605","0.009","90","","7212","7","293.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H34 N4 O2 S -","- C41 H30 N4 O2 S -","- C328 H240 N32 O16 S8 -","8","1","","Kozaki, Masatoshi; Isoyama, Asuka; Akita, Kogen; Okada, Keiji","Preparation, Properties, and Reduction of Heteroaromatic Quinoids with 1,4-Diazacyclopentadien-2-ylidene Terminals","Organic Letters","2005","7","1","115","118","10.1021/ol0476927","","","0.7107","MoKα","","","0.075","","","","0.082","","","","","","1.122","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1513594","12.647","0.0007","13.1997","0.0007","17.9323","0.0009","94.961","0.002","98.899","0.002","106.745","0.002","2804.8","0.3","200","1","200","1","","","","","","","","7","P -1","-P 1","2","","","","- C100 H79 F12 N13 O19 Pd2 S4 -","- C100 H79 F12 N13 O19 Pd2 S4 -","- C100 H79 F12 N13 O19 Pd2 S4 -","1","0.5","","Desmarets, Christophe; Ducarre, Thierry; Rager, Marie; Gontard, Geoffrey; Amouri, Hani","Self-Assembled M2L4 Nanocapsules: Synthesis, Structure and Host-Guest Recognition Toward Square Planar Metal Complexes","Materials","2014","7","1","287","","10.3390/ma7010287","","","0.71073","MoKα","","0.0792","0.0578","","","0.1674","0.1823","","","","","","1.076","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513733","21.462","0.011","10.226","0.005","19.538","0.01","90","","109.458","0.013","90","","4043","4","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","cz_1_20120305","cz_1_20120305","","- C78 H18 -","- C78 H18 -","- C312 H72 -","4","1","","Cho, Namchul; Li, Chang-Zhi; Yip, Hin-Lap; Jen, Alex K.-Y.","In situ doping and crosslinking of fullerenes to form efficient and robust electron-transporting layers for polymer solar cells","Energy & Environmental Science","2014","7","2","638","","10.1039/c3ee42509f","","","0.71073","MoKα","","0.2784","0.1487","","","0.3398","0.4411","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513734","8.1254","0.0001","18.6567","0.0002","26.9854","0.0004","90","","96.5869","0.0006","90","","4063.8","0.09","90","0.2","90","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H9 Br6 N -","- C18 H9 Br6 N -","- C144 H72 Br48 N8 -","8","2","","Odom, Susan A.; Ergun, Selin; Poudel, Pramod P.; Parkin, Sean R.","A fast, inexpensive method for predicting overcharge performance in lithium-ion batteries","Energy & Environmental Science","2014","7","2","760","","10.1039/c3ee42305k","","","0.71073","MoKα","","0.091","0.0441","","","0.0628","0.0728","","","","","","1.039","","","","has coordinates","301776","2025-08-18","14:47:44",""
"1513735","5.7951","0.0001","12.7103","0.0002","16.8547","0.0003","90","","90","","90","","1241.47","0.04","110","","110","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C5 H4 F6 Li N O7 S2 -","- C5 H4 F6 Li N O7 S2 -","- C20 H16 F24 Li4 N4 O28 S8 -","4","1","","McOwen, Dennis W.; Seo, Daniel M.; Borodin, Oleg; Vatamanu, Jenel; Boyle, Paul D.; Henderson, Wesley A.","Concentrated electrolytes: decrypting electrolyte properties and reassessing Al corrosion mechanisms","Energy & Environmental Science","2014","7","1","416","","10.1039/c3ee42351d","","","0.71073","MoKα","","0.0395","0.0332","","","0.0743","0.077","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513736","8.729","0.003","14.045","0.005","16.041","0.006","90","","90","","90","","1966.6","1.2","110","","110","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C11 H12 F6 Li N O13 S2 -","- C11 H12 F6 Li N O13 S2 -","- C44 H48 F24 Li4 N4 O52 S8 -","4","1","","McOwen, Dennis W.; Seo, Daniel M.; Borodin, Oleg; Vatamanu, Jenel; Boyle, Paul D.; Henderson, Wesley A.","Concentrated electrolytes: decrypting electrolyte properties and reassessing Al corrosion mechanisms","Energy & Environmental Science","2014","7","1","416","","10.1039/c3ee42351d","","","0.71073","MoKα","","0.073","0.0472","","","0.1138","0.1265","","","","","","1.022","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1514143","8.0983","0.0006","12.4502","0.0009","15.5631","0.0012","105.76","0.001","103.114","0.001","101.124","0.001","1415.5","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Co(bpyPY2Me)(MeCN)(OTf)](OTf)","","","- C26 H21 Co F6 N5 O6 S2 -","- C26 H21 Co F6 N5 O6 S2 -","- C52 H42 Co2 F12 N10 O12 S4 -","2","1","","Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N.","Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts","Energy & Environmental Science","2014","7","4","1477","","10.1039/c3ee43982h","","","0.71073","MoKα","","0.0276","0.0253","","","0.0637","0.0658","","","","","","1.041","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514144","16.288","0.003","16.463","0.003","17.02","0.003","62.683","0.002","83.145","0.002","83.634","0.002","4017.8","1.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Co(bpy(PYCF3)2)(MeCN)(OTf)](OTf)","","","- C33 H26.5 Co F12 N7.5 O6 S2 -","- C33 H26.5 Co F12 N7.5 O6 S2 -","- C132 H106 Co4 F48 N30 O24 S8 -","4","2","","Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N.","Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts","Energy & Environmental Science","2014","7","4","1477","","10.1039/c3ee43982h","","","0.71073","MoKα","","0.1652","0.078","","","0.1962","0.2459","","","","","","1.016","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514145","8.3555","0.0005","13.6865","0.0008","15.1917","0.0008","116.451","0.002","94.117","0.002","90.678","0.003","1549.54","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","[Co(bpyPY2OH)(MeCN)(OTf)](OTf)","","","- C27 H22 Co F6 N6 O7 S2 -","- C27 H22 Co F6 N6 O7 S2 -","- C54 H44 Co2 F12 N12 O14 S4 -","2","1","","Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N.","Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts","Energy & Environmental Science","2014","7","4","1477","","10.1039/c3ee43982h","","","0.71073","MoKα","","0.0302","0.0275","","","0.1129","0.1182","","","","","","1.056","","","","has coordinates,has disorder","301776","2025-08-18","14:47:46",""
"1514146","12.0052","0.0015","17.117","0.002","13.5392","0.0017","90","","99.567","0.002","90","","2743.5","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","sck001","","","- C25 H20 Co F6 N4 O6 S2 -","- C25 H20 Co F6 N4 O6 S2 -","- C100 H80 Co4 F24 N16 O24 S8 -","4","1","","Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N.","Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts","Energy & Environmental Science","2014","7","4","1477","","10.1039/c3ee43982h","","","0.71073","MoKα","","0.0317","0.0296","","","0.0701","0.0717","","","","","","1.063","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514147","12.8142","0.0005","16.9334","0.0006","13.8652","0.0006","90","","98.362","0.002","90","","2976.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 Co F6 N5 O6 S2 -","- C27 H23 Co F6 N5 O6 S2 -","- C108 H92 Co4 F24 N20 O24 S8 -","4","1","","Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N.","Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts","Energy & Environmental Science","2014","7","4","1477","","10.1039/c3ee43982h","","","0.71073","MoKα","","0.0297","0.0277","","","0.066","0.0672","","","","","","1.031","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514148","9.6468","0.0005","11.9557","0.0006","14.9502","0.0008","105.694","0.003","105.787","0.003","100.066","0.003","1538.89","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H28 Co F6 N4 O9 S2 -","- C26 H28 Co F6 N4 O9 S2 -","- C52 H56 Co2 F12 N8 O18 S4 -","2","1","","Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N.","Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts","Energy & Environmental Science","2014","7","4","1477","","10.1039/c3ee43982h","","","0.71073","MoKα","","0.0322","0.0303","","","0.0716","0.0727","","","","","","1.04","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1514149","24.9411","0.0013","11.4329","0.0004","26.1884","0.0009","90","","116.585","0.002","90","","6678.1","0.5","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C30.5 H27 Co F6 N6 O6 S2 -","- C30.5 H27 Co F6 N6 O6 S2 -","- C244 H216 Co8 F48 N48 O48 S16 -","8","1","","Khnayzer, R. S.; Thoi, V. S.; Nippe, M.; King, A. E.; Jurss, J. W.; El Roz, K. A.; Long, J. R.; Chang, C. J.; Castellano, F. N.","Towards a comprehensive understanding of visible-light photogeneration of hydrogen from water using cobalt(ii) polypyridyl catalysts","Energy & Environmental Science","2014","7","4","1477","","10.1039/c3ee43982h","","","0.71073","MoKα","","0.1204","0.061","","","0.1393","0.1675","","","","","","1.027","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1514502","8.947","","14.538","","14.887","","75.26","","78.85","","82.01","","1829.06","","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H38 N2 O6 -","- C49 H38 N2 O6 -","- C98 H76 N4 O12 -","2","1","","Cheriya, Rijo T.; Mallia, Ajith R.; Hariharan, Mahesh","Light harvesting vesicular donor–acceptor scaffold limits the rate of charge recombination in the presence of an electron donor","Energy & Environmental Science","2014","7","5","1661","","10.1039/c3ee43293a","","","0.71073","MoKα","","0.2678","0.1541","","","0.4212","0.5014","","","","","","1.521","","","","has coordinates","301776","2025-08-18","14:47:46",""
"1515383","10.4802","0.0016","10.4802","0.0016","10.4802","0.0016","90","","90","","90","","1151.1","0.3","90","2","90","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Al9.1 K8 Si36.9 -","- Al7.644 K8 Si38.356 -","- Al7.644 K8 Si38.356 -","1","0.0208333","","He, Yuping; Sui, Fan; Kauzlarich, Susan M.; Galli, Giulia","Si-based Earth abundant clathrates for solar energy conversion","Energy & Environmental Science","2014","7","8","2598","","10.1039/C4EE00256C","","","0.71073","MoKα","","0.0123","0.0113","","","0.0313","0.0322","","","","","","0.86","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1515751","7.101","0.0005","8.7939","0.0006","33.018","0.002","82.386","0.001","88.279","0.002","67.146","0.001","1882.7","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H72 Br N O2 -","- C37 H72 Br N O2 -","- C74 H144 Br2 N2 O4 -","2","1","","Lu, Jung-Tang; Lee, Ching-Kuan; Lin, Ivan J. B.","Ionic liquid crystals derived from 4-hydroxypyridine","Soft Matter","2011","7","7","3491","","10.1039/c0sm01376e","","","0.71073","MoKα","","0.0536","0.0442","","","0.1231","0.1287","","","","","","1.043","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515752","5.0633","0.0002","7.8476","0.0003","28.8648","0.0009","92.227","0.002","93.436","0.002","102.045","0.002","1118.12","0.07","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H38 Cl N O -","- C21 H38 Cl N O2 -","- C42 H76 Cl2 N2 O4 -","2","1","","Lu, Jung-Tang; Lee, Ching-Kuan; Lin, Ivan J. B.","Ionic liquid crystals derived from 4-hydroxypyridine","Soft Matter","2011","7","7","3491","","10.1039/c0sm01376e","","","0.71073","MoKα","","0.0983","0.0564","","","0.171","0.1997","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515753","20.7504","0.0008","7.9455","0.0003","13.4383","0.0004","90","","100.245","0.002","90","","2180.28","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 N O2 -","- C21 H39 N O2 -","- C84 H156 N4 O8 -","4","1","","Lu, Jung-Tang; Lee, Ching-Kuan; Lin, Ivan J. B.","Ionic liquid crystals derived from 4-hydroxypyridine","Soft Matter","2011","7","7","3491","","10.1039/c0sm01376e","","","0.71073","MoKα","","0.1555","0.0473","","","0.1068","0.1543","","","","","","0.767","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515754","10.9741","0.0008","10.9741","0.0008","59.527","0.007","90","","90","","120","","6208.4","1","296","2","296","2","","","","","","","","4","P 65","P 65","170","","","","- C38 H55 N5 O8 -","- C38 H55 N5 O8 -","- C228 H330 N30 O48 -","6","1","","Maity, Sibaprasad; Jana, Poulami; Maity, Suman Kumar; Haldar, Debasish","Mesoporous vesicles from supramolecular helical peptide as drug carrier","Soft Matter","2011","7","21","10174","","10.1039/c1sm05958k","","","0.71073","MoKα","","0.0923","0.0762","","","0.225","0.2449","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515968","19.723","0.004","18.459","0.004","17.842","0.003","90","","112.245","0.006","90","","6012","2","113","2","113","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C52 H82 N4 O23 -","- C52 H60 N4 O23 -","- C208 H240 N16 O92 -","4","1","","Zhang, Jie; Guo, Dong-Sheng; Wang, Li-Hua; Wang, Zhen; Liu, Yu","Supramolecular binary hydrogels from calixarenes and amino acids and their entrapment‒release of model dye molecules","Soft Matter","2011","7","5","1756","","10.1039/c0sm01041c","","","0.71075","MoKα","","0.1449","0.1233","","","0.328","0.3516","","","","","","1.221","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515969","8.6019","0.0001","16.2504","0.0002","23.2724","0.0003","90","","91.1","0.001","90","","3252.52","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3.10H+)2(SO42).7H2O","","- C22 H38 N10 O17 S -","- C22 H38 N10 O17 S -","- C88 H152 N40 O68 S4 -","4","1","","Lloyd, Gareth O.; Steed, Jonathan W.","Anion tuning of the rheology, morphology and gelation of a low molecular weight salt hydrogelator","Soft Matter","2011","7","1","75","","10.1039/c0sm00594k","","","0.71073","MoKα","","0.0685","0.0523","","","0.1414","0.1555","","","","","","1.053","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515970","10.4699","0.001","5.4899","0.0005","20.581","0.002","90","","103.507","0.004","90","","1150.25","0.19","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N5 O3 -","- C11 H11 N5 O3 -","- C44 H44 N20 O12 -","4","1","","Lloyd, Gareth O.; Steed, Jonathan W.","Anion tuning of the rheology, morphology and gelation of a low molecular weight salt hydrogelator","Soft Matter","2011","7","1","75","","10.1039/c0sm00594k","","","0.71073","MoKα","","0.0715","0.0488","","","0.1271","0.1435","","","","","","1.036","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515971","7.5596","0.0004","12.6366","0.0006","13.7797","0.0006","100.661","0.001","94.926","0.002","96.37","0.002","1277.98","0.11","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","(3.10H+)(BF4).3.10","","- C22 H23 B F4 N10 O6 -","- C22 H23 B F4 N10 O6 -","- C44 H46 B2 F8 N20 O12 -","2","1","","Lloyd, Gareth O.; Steed, Jonathan W.","Anion tuning of the rheology, morphology and gelation of a low molecular weight salt hydrogelator","Soft Matter","2011","7","1","75","","10.1039/c0sm00594k","","","0.71073","MoKα","","0.1031","0.0587","","","0.1474","0.1747","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515972","7.7509","0.0004","8.2203","0.0005","13.2848","0.0007","94.481","0.002","104.643","0.002","110.579","0.002","753.55","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","(3.10H+)(BF4).H2O","","- C11 H14 B F4 N5 O4 -","- C11 H14 B F4 N5 O4 -","- C22 H28 B2 F8 N10 O8 -","2","1","","Lloyd, Gareth O.; Steed, Jonathan W.","Anion tuning of the rheology, morphology and gelation of a low molecular weight salt hydrogelator","Soft Matter","2011","7","1","75","","10.1039/c0sm00594k","","","0.71073","MoKα","","0.0945","0.0585","","","0.1402","0.1671","","","","","","1.025","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1515973","9.818","0.0003","9.6472","0.0003","11.6088","0.0004","90","","106.908","0.001","90","","1052.01","0.06","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 N3 O2 -","- C9 H15 N3 O2 -","- C36 H60 N12 O8 -","4","1","","Lloyd, Gareth O.; Steed, Jonathan W.","Anion tuning of the rheology, morphology and gelation of a low molecular weight salt hydrogelator","Soft Matter","2011","7","1","75","","10.1039/c0sm00594k","","","0.71073","MoKα","","0.0784","0.0494","","","0.1259","0.1448","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515974","7.557","0.008","14.027","0.016","15.689","0.017","70.74","0.02","77.71","0.02","87.03","0.02","1534","3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2(3.10H+) 2Cl MeOH H2O","","- C11.5 H14 Cl N5 O4 -","- C11.5 H14 Cl N5 O4 -","- C46 H56 Cl4 N20 O16 -","4","2","","Lloyd, Gareth O.; Steed, Jonathan W.","Anion tuning of the rheology, morphology and gelation of a low molecular weight salt hydrogelator","Soft Matter","2011","7","1","75","","10.1039/c0sm00594k","","","0.71073","MoKα","","0.3683","0.2848","","","0.5981","0.6243","","","","","","1.812","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515975","7.6261","0.0003","25.9299","0.0011","16.0689","0.0007","90","","98.908","0.002","90","","3139.2","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N6 O7 -","- C12 H16 N6 O7 -","- C96 H128 N48 O56 -","8","2","","Lloyd, Gareth O.; Steed, Jonathan W.","Anion tuning of the rheology, morphology and gelation of a low molecular weight salt hydrogelator","Soft Matter","2011","7","1","75","","10.1039/c0sm00594k","","","0.71073","MoKα","","0.1333","0.0613","","","0.1458","0.1777","","","","","","1.008","","","","has coordinates","301776","2025-08-18","14:47:48",""
"1516000","12.219","0.002","6.766","0.001","20.899","0.004","90","","105.443","0.002","90","","1665.4","0.5","243","2","243","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","2","","Solomon, Marissa; Sivaguru, J.; Jockusch, Steffen; Adam, Waldemar; Turro, Nicholas J.","Vibrational deactivation of singlet oxygen: does it play a role in stereoselectivity during photooxygenation?","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2008","7","5","531","533","10.1039/b719387d","","","0.71073","MoKα","","0.1108","0.0457","","","0.0881","0.1034","","","","","","1.005","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516001","16.102","0.002","10.7697","0.001","10.9403","0.0012","90","","101.787","0.002","90","","1857.2","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Z)-1,2,4,6-tetramethyl-8,8-diphenyl-7-oxa-2,4-diaza-bicyclo (4.2.0)octane-3,5-dione","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","","Kong, Feng-Feng; Zhai, Bao-Chang; Song, Qin-Hua","Substituent effects on the regioselectivity of the Paternò-Büchi reaction of 5- or/and 6-methyl substituted uracils with 4,4'-disubstituted benzophenones.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2008","7","11","1332","1336","10.1039/b810640a","","","0.71073","MoKα","","0.2085","0.0948","","","0.2317","0.331","","","","","","1.099","","","","has coordinates,has disorder","301776","2025-08-18","14:47:49",""
"1516002","7.7039","0.0008","9.868","0.0012","12.6926","0.0018","105.832","0.003","93.959","0.002","96.639","0.002","917","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","(Z)-1,2,4,6-tetramethyl-7,7-diphenyl-8-oxa-2,4-diaza-bicyclo (4.2.0)octane-3,5-dione","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C42 H44 N4 O6 -","2","1","","Kong, Feng-Feng; Zhai, Bao-Chang; Song, Qin-Hua","Substituent effects on the regioselectivity of the Paternò-Büchi reaction of 5- or/and 6-methyl substituted uracils with 4,4'-disubstituted benzophenones.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2008","7","11","1332","1336","10.1039/b810640a","","","0.71073","MoKα","","0.0698","0.0417","","","0.0959","0.1153","","","","","","1.044","","","","has coordinates","301776","2025-08-18","14:47:49",""
"1516138","8.92686","0.00006","16.30625","0.00008","16.1629","0.00009","90","","99.0197","0.0005","90","","2323.64","0.02","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 Cl F3 Ir N4 O3 S -","- C20 H25 Cl F3 Ir N4 O3 S -","- C80 H100 Cl4 F12 Ir4 N16 O12 S4 -","4","1","","Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan","Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights","Energy & Environmental Science","2014","7","7","2316","","10.1039/c4ee00971a","","","1.54184","CuKα","","0.017","0.0166","","","0.0421","0.0424","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516139","8.6499","0.0001","30.9257","0.0003","11.9013","0.0002","90","","95.343","0.001","90","","3169.82","0.07","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C26 H32 Cl F6 Ir N4 O0.5 P -","- C26 H32 Cl F6 Ir N4 O0.5 P -","- C104 H128 Cl4 F24 Ir4 N16 O2 P4 -","4","2","","Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan","Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights","Energy & Environmental Science","2014","7","7","2316","","10.1039/c4ee00971a","","","0.71073","MoKα","","0.042","0.035","","","0.0888","0.0902","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516140","16.815","0.0002","17.575","0.0002","28.6833","0.0004","90","","90","","90","","8476.59","0.18","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C48 H47.38 B Cl Ir N4 O0.19 -","- C48 H47.384 B Cl Ir N4 O0.192 -","- C384 H379.072 B8 Cl8 Ir8 N32 O1.536 -","8","1","","Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan","Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights","Energy & Environmental Science","2014","7","7","2316","","10.1039/c4ee00971a","","","0.71073","MoKα","","0.0342","0.0217","","","0.0508","0.0526","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516141","8.1397","0.0003","12.0802","0.0004","12.1711","0.0004","93.308","0.002","98.055","0.003","96.258","0.003","1174.66","0.07","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C20 H25 Cl F3 Ir N4 O3 S -","- C20 H25 Cl F3 Ir N4 O3 S -","- C40 H50 Cl2 F6 Ir2 N8 O6 S2 -","2","1","","Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan","Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights","Energy & Environmental Science","2014","7","7","2316","","10.1039/c4ee00971a","","","0.71073","MoKα","","0.0217","0.0206","","","0.0488","0.0494","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516142","9.9198","0.0002","12.2357","0.0003","14.1911","0.0003","88.964","0.002","72.328","0.002","67.558","0.002","1507.5","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H30 F6 Ir N5 O6 S2 -","- C24 H30 F6 Ir N5 O6 S2 -","- C48 H60 F12 Ir2 N10 O12 S4 -","2","1","","Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan","Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights","Energy & Environmental Science","2014","7","7","2316","","10.1039/c4ee00971a","","","0.71073","MoKα","","0.02","0.0172","","","0.0364","0.0374","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516143","24.2752","0.0003","11.5628","0.0001","27.0877","0.0004","90","","101.757","0.002","90","","7443.72","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 F6 Ir N5 O7 S2 -","- C32 H38 F6 Ir N5 O7 S2 -","- C256 H304 F48 Ir8 N40 O56 S16 -","8","2","","Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan","Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights","Energy & Environmental Science","2014","7","7","2316","","10.1039/c4ee00971a","","","0.71073","MoKα","","0.0444","0.0353","","","0.0841","0.0895","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516144","15.4068","0.0002","12.8634","0.0001","17.5263","0.0002","90","","103.099","0.001","90","","3383.05","0.07","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 F6 Ir N5 O6 S2 -","- C28 H30 F6 Ir N5 O6 S2 -","- C112 H120 F24 Ir4 N20 O24 S8 -","4","1","","Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan","Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights","Energy & Environmental Science","2014","7","7","2316","","10.1039/c4ee00971a","","","0.71073","MoKα","","0.0357","0.0252","","","0.0492","0.0532","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516145","12.3897","0.0003","16.3148","0.0003","14.676","0.0004","90","","114.395","0.003","90","","2701.69","0.13","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C25 H27 Cl F3 Ir N4 O3 S -","- C25 H27 Cl F3 Ir N4 O3 S -","- C100 H108 Cl4 F12 Ir4 N16 O12 S4 -","4","1","","Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan","Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights","Energy & Environmental Science","2014","7","7","2316","","10.1039/c4ee00971a","","","0.71073","MoKα","","0.0268","0.021","","","0.0382","0.0403","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516146","17.0427","0.0007","12.0904","0.0005","18.0154","0.0008","90","","108.807","0.005","90","","3513.9","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H35 F6 Ir N8 O6 S2 -","- C30 H35 F6 Ir N8 O6 S2 -","- C120 H140 F24 Ir4 N32 O24 S8 -","4","1","","Woods, James A.; Lalrempuia, Ralte; Petronilho, Ana; McDaniel, Neal D.; Müller-Bunz, Helge; Albrecht, Martin; Bernhard, Stefan","Carbene iridium complexes for efficient water oxidation: scope and mechanistic insights","Energy & Environmental Science","2014","7","7","2316","","10.1039/c4ee00971a","","","0.71073","MoKα","","0.0507","0.0362","","","0.0732","0.0798","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1517081","11.8347","0.0002","12.6758","0.0002","12.9917","0.0002","83.604","0.001","84.093","0.001","65.322","0.001","1756.48","0.05","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Br N O2 -","- C21 H16 Br N O2 -","- C84 H64 Br4 N4 O8 -","4","2","","Goldberg, Frederick W.; Magnus, Philip; Turnbull, Rachel","A mild thermal and acid-catalyzed rearrangement of O-aryl ethers into ortho-hydroxy arenes.","Organic letters","2005","7","20","4531","4534","10.1021/ol051943+","","","0.71073","MoKα","","0.0675","0.0416","","","0.0954","0.1073","","","","","","1.008","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517082","8.4348","0.0008","14.1792","0.0018","14.812","0.002","94.72","0.008","91.124","0.006","105.433","0.013","1700.2","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H16 Br N O2 -","- C21 H16 Br N O2 -","- C84 H64 Br4 N4 O8 -","4","2","","Goldberg, Frederick W.; Magnus, Philip; Turnbull, Rachel","A mild thermal and acid-catalyzed rearrangement of O-aryl ethers into ortho-hydroxy arenes.","Organic letters","2005","7","20","4531","4534","10.1021/ol051943+","","","0.71073","MoKα","","0.2754","0.1035","","","0.128","0.1608","","","","","","1.241","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517083","7.841","0.0002","13.755","0.0005","17.44","0.0009","90","","90","","90","","1880.96","0.13","298","","","","","","","","","","synthetic","4","P c 21 b","P -2bc -2c","29","","(4aS,8S,8aS)-4,7,8a-trimethyl-8-[(p-methylphenylsulfonyl)methyl]- 1,2,4a,5,8,8a-hexahydronaphthalene","","- C21 H28 O2 S -","- C21 H28 O2 S -","- C84 H112 O8 S4 -","4","1","","Imagawa, Hiroshi; Iyenaga, Tomoaki; Nishizawa, Mugio","Mercuric triflate-catalyzed tandem cyclization leading to polycarbocycles.","Organic letters","2005","7","3","451","453","10.1021/ol047472t","","","0.71073","MoKα","","0.0462","0.0436","","","0.1228","0.1316","","","","","","1.193","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517084","7.286","0.0004","10.506","0.0007","10.585","0.0009","107.314","0.003","99.739","0.003","102.947","0.003","729.25","0.09","298","","","","","","","","","","synthetic","3","P -1","-P 1","2","","(6aS,10aS)-1,3-dimethoxy-7,10a-dimethyl- 6a,9,10,10a-tetrahydro-6H-benzo[c]chromene","","- C17 H22 O3 -","- C17 H22 O3 -","- C34 H44 O6 -","2","1","","Imagawa, Hiroshi; Iyenaga, Tomoaki; Nishizawa, Mugio","Mercuric triflate-catalyzed tandem cyclization leading to polycarbocycles.","Organic letters","2005","7","3","451","453","10.1021/ol047472t","","","0.71073","MoKα","","0.0637","0.0516","","","0.149","0.1702","","","","","","1.092","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517085","9.1575","0.0014","13.84","0.002","14.879","0.002","90","","90","","90","","1885.8","0.5","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O5 -","- C20 H20 N2 O5 -","- C80 H80 N8 O20 -","4","1","","Nair, Vijay; Biju, A. T.; Abhilash, K. G.; Menon, Rajeev S.; Suresh, Eringathodi","Reaction of diaryl-1,2-diones with triphenylphosphine and diethyl azodicarboxylate leading to N,N-dicarboethoxy monohydrazones via a novel rearrangement.","Organic letters","2005","7","11","2121","2123","10.1021/ol050403+","","","0.71073","MoKα","","0.0473","0.0421","","","0.1099","0.1142","","","","","","1.03","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517086","19.4695","0.001","19.4695","0.001","26.58","0.002","90","","90","","90","","10075.5","1.1","170","2","170","2","","","","","","","","3","P 41 2 2","P 4w 2c","91","2","1,10-dihydroxybicyclo[8.8.8] hexacosane","","- C26 H50 O2 -","- C26 H50 O2 -","- C416 H800 O32 -","16","2","","Jones, Ian W.; Monguchi, Yasunari; Dawson, Alice; Carducci, Michael D.; Mash, Eugene A.","Synthesis of 1,10-dimethylbicyclo[8.8.8]hexacosane and 1,10-dihydroxybicyclo[8.8.8]hexacosane.","Organic letters","2005","7","14","2841","2843","10.1021/ol050714k","","","0.71073","MoKα","","0.147","0.0945","","","0.2439","0.3052","","","","","","1.028","","","","has coordinates,has disorder","301776","2025-08-18","14:47:50",""
"1517087","10.639","0.003","27.103","0.008","10.096","0.003","90","","116.417","0.005","90","","2607.2","1.3","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","1","1,10 dimethyl bicyclo[8.8.8]hexacosane","","- C28 H54 -","- C28 H54 -","- C112 H216 -","4","1","","Jones, Ian W.; Monguchi, Yasunari; Dawson, Alice; Carducci, Michael D.; Mash, Eugene A.","Synthesis of 1,10-dimethylbicyclo[8.8.8]hexacosane and 1,10-dihydroxybicyclo[8.8.8]hexacosane.","Organic letters","2005","7","14","2841","2843","10.1021/ol050714k","","","0.71073","MoKα","","0.1754","0.0688","","","0.1433","0.1856","","","","","","1.007","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517088","8.7677","0.0014","4.8934","0.0008","25.862","0.004","90","","93.889","0.003","90","","1107","0.3","100","2","100","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C20 Cl10 N6 -","- C20 Cl10 N6 -","- C40 Cl20 N12 -","2","0.5","","Zheng, Shijun; Thompson, Joe D.; Tontcheva, Ana; Khan, Saeed I.; Rubin, Yves","Perchloro-2,5,8-triazaphenalenyl radical.","Organic letters","2005","7","9","1861","1863","10.1021/ol050570+","","","0.71073","MoKα","","0.0605","0.0419","","","0.0987","0.1039","","","","","","1","","","","has coordinates","301776","2025-08-18","14:47:50",""
"1517089","6.9473","0.0016","6.2385","0.0015","15.819","0.004","100.097","0.004","97.56","0.004","104.412","0.004","642.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10.5 H2 Cl5 N3 O2 -","- C10.5 H2 Cl5 N3 O2 -","- C21 H4 Cl10 N6 O4 -","2","1","","Zheng, Shijun; Thompson, Joe D.; Tontcheva, Ana; Khan, Saeed I.; Rubin, Yves","Perchloro-2,5,8-triazaphenalenyl radical.","Organic letters","2005","7","9","1861","1863","10.1021/ol050570+","","","0.71073","MoKα","","0.0886","0.0592","","","0.1408","0.1561","","","","","","0.952","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1517744","6.5827","0.0006","7.8919","0.0007","15.4217","0.0014","90","","90","","90","","801.16","0.13","293","2","293","2","","","","","","","","5","P 21 2 21","P 2ac 2ac","18","","","","- C6 H5 N2 Ni O4 -","- C6 H5 N2 Ni O4 -","- C24 H20 N8 Ni4 O16 -","4","1","","Kang, Zixi; Xue, Ming; Fan, Lili; Huang, Lin; Guo, Lijia; Wei, Guoying; Chen, Banglin; Qiu, Shilun","Highly selective sieving of small gas molecules by using an ultra-microporous metal‒organic framework membrane","Energy Environ. Sci.","2014","7","12","4053","","10.1039/C4EE02275K","","","0.71073","MoKα","","0.0439","0.0416","","","0.0947","0.0964","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518533","23.9571","0.0006","23.9571","0.0006","16.5415","0.0008","90","","90","","120","","8221.9","0.5","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C90 H72 Ag12 F18 N6 O12 S6 -","- C90 H72 Ag12 F18 N6 O12 S6 -","- C270 H216 Ag36 F54 N18 O36 S18 -","3","0.166667","","Xu, Qing-Qing; Dong, Xi-Yan; Huang, Ren-Wu; Li, Bo; Zang, Shuang-Quan; Mak, Thomas C. W.","A thermochromic silver nanocluster exhibiting dual emission character.","Nanoscale","2015","7","5","1650","1654","10.1039/c4nr05122j","","","0.71073","MoKα","","0.0619","0.0449","","","0.1453","0.1569","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518720","18.4308","0.0007","19.5522","0.0007","35.0688","0.0013","93.065","0.003","95.734","0.003","112.904","0.004","11523.9","0.8","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C166 H366 Ag62 F6 Mo38 N2 O129 S42 -","- C166 H366 Ag62 F6 Mo38 N2 O129 S42 -","- C166 H366 Ag62 F6 Mo38 N2 O129 S42 -","1","0.5","","Huang, Ren-Wu; Xu, Qing-Qing; Lu, Hong-Lin; Guo, Xiao-Kang; Zang, Shuang-Quan; Gao, Guang-Gang; Tang, Ming-Sheng; Mak, Thomas C. W.","Self-assembly of an unprecedented polyoxomolybdate anion [Mo20O66](12-) in a giant peanut-like 62-core silver-thiolate nanocluster.","Nanoscale","2015","7","16","7151","7154","10.1039/c5nr00171d","","","0.71073","MoKα","","0.1517","0.0904","","","0.2003","0.2325","","","","","","1.055","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1518905","4.03807","0.00014","9.6563","0.0002","14.1332","0.0003","78.7","0.002","86.786","0.002","84.501","0.002","537.53","0.02","180.01","0.1","180.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C32 H22 O2 -","- C32 H22 O2 -","- C32 H22 O2 -","1","0.5","","Niu, Caixia; Liu, Qiuling; Shang, Zhehai; Zhao, Liu; Ouyang, Jin","Dual-emission fluorescent sensor based on AIE organic nanoparticles and Au nanoclusters for the detection of mercury and melamine.","Nanoscale","2015","7","18","8457","8465","10.1039/c5nr00554j","","","1.54184","CuKα","","0.0447","0.0405","","","0.1086","0.1132","","","","","","1.053","","","","has coordinates","301776","2025-08-18","14:47:53",""
"1518972","32.6712","0.0005","32.6712","0.0005","76.823","0.002","90","","90","","90","","82001","3","100","2","100","2","","","","","","","","6","I 41/a c d","-I 4bd 2c","142","","","","- C252 H312 Ag37 F18 O24 S28 -","- C252 H312 Ag37 F18 O24 S28 -","- C2016 H2496 Ag296 F144 O192 S224 -","8","","","Li, Xiao-Yu; Su, Hai-Feng; Yu, Kai; Tan, Yuan-Zhi; Wang, Xing-Po; Zhao, Ya-Qin; Sun, Di; Zheng, Lan-Sun","A platonic solid templating Archimedean solid: an unprecedented nanometre-sized Ag37 cluster.","Nanoscale","2015","7","18","8284","8288","10.1039/c5nr01222h","","","1.54178","CuKα","","0.2085","0.138","","","0.3547","0.4122","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1519452","11.3306","0.0003","14.0417","0.0003","13.3887","0.0005","90","","106.842","0.004","90","","2038.79","0.11","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","copper(II) complex of anthracene-9-imidazoline hydrazone","cis-[CuCl2(9-AIH)]","","- C20 H18 Cl2 Cu N4 O -","- C20 H22 Cl2 Cu N4 O -","- C80 H88 Cl8 Cu4 N16 O4 -","4","1","","Qin, Qi-Pin; Liu, Yan-Cheng; Wang, Hai-Lu; Qin, Jiao-Lan; Cheng, Feng-Jie; Tang, Shang-Feng; Liang, Hong","Synthesis and antitumor mechanisms of a copper(ii) complex of anthracene-9-imidazoline hydrazone (9-AIH).","Metallomics : integrated biometal science","2015","7","7","1124","1136","10.1039/c5mt00027k","","","0.7107","MoKα","","0.0563","0.0444","","","0.1169","0.1257","","","","","","1.034","","","","has coordinates,has disorder","143718","2020-10-21","18:00:00",""
"1519497","17.313","0.003","24.678","0.004","9.5642","0.0017","90","","105.015","0.003","90","","3946.8","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","HABIB-L","","- C46 H58 N4 O3 -","- C46 H58 N4 O3 -","- C184 H232 N16 O12 -","4","1","","Molla, Habib Ali; Bhowmick, Rahul; Katarkar, Atul; Chaudhuri, Keya; Gangopadhyay, Sumana; Ali, Mahammad","A novel rhodamine-3,4-dihydro-2H-1,3-benzoxazine conjugate as a highly sensitive and selective chemosensor for Fe3+ions with cytoplasmic cell imaging possibilities","Anal. Methods","2015","7","12","5149","","10.1039/C5AY00754B","","","0.71073","MoKα","","0.172","0.0861","","","0.24","0.2329","","","","","","1.021","","","","has coordinates","301776","2025-08-18","14:47:54",""
"1520053","4.6212","0.0013","27.484","0.008","26.923","0.007","90","","90","","90","","3419.5","1.6","296","2","296","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C6 H24 I8 N2 O2 Pb3 S2 -","- C6 I8 N2 O2 Pb3 S2 -","- C24 I32 N8 O8 Pb12 S8 -","4","0.5","","Rong, Yaoguang; Tang, Zhongjia; Zhao, Yufeng; Zhong, Xin; Venkatesan, Swaminathan; Graham, Harrison; Patton, Matthew; Jing, Yan; Guloy, Arnold M.; Yao, Yan","Solvent engineering towards controlled grain growth in perovskite planar heterojunction solar cells.","Nanoscale","2015","7","24","10595","10599","10.1039/c5nr02866c","","","0.71073","MoKα","","0.1237","0.0538","","","0.1053","0.1217","","","","","","0.836","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1520105","12.6007","0.0004","16.0006","0.0005","17.3353","0.0005","106.074","0.0015","101.073","0.0016","92.406","0.0016","3279.14","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H80 N4 O18 -","- C72 H80 N4 O18 -","- C144 H160 N8 O36 -","2","1","","Kelong Zhu; Christopher A. O'Keefe; V. Nicholas Vukotic; Robert W. Schurko; Stephen J. Loeb","A molecular shuttle that operates inside a metal-organic framework","Nature Chemistry","2015","7","","514","519","10.1038/nchem.2258","","","1.54178","CuKα","","0.1118","0.0771","","","0.1941","0.2207","","","","","","1.022","","","","has coordinates","301777","2025-08-18","15:08:06",""
"1520106","33.03","0.004","33.03","0.004","28.099","0.004","90","","90","","120","","26548","6","150","2","150","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C224 H273 B3 F12 N12 O66 Zn8 -","- C192 H180 N12 O50 Zn8 -","- C576 H540 N36 O150 Zn24 -","3","0.166667","","Kelong Zhu; Christopher A. O'Keefe; V. Nicholas Vukotic; Robert W. Schurko; Stephen J. Loeb","A molecular shuttle that operates inside a metal-organic framework","Nature Chemistry","2015","7","","514","519","10.1038/nchem.2258","","","0.71073","MoKα","","0.1311","0.0782","","","0.2135","0.2814","","","","","","0.997","","","","has coordinates,has disorder","192145","2020-10-21","18:00:00",""
"1520546","4.9476","","3.3787","","8.7479","","90","","97.617","","90","","144.944","","293","","293","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","","","- S3 Ti -","- S3 Ti -","- S6 Ti2 -","2","0.5","","Lipatov, Alexey; Wilson, Peter M.; Shekhirev, Mikhail; Teeter, Jacob D.; Netusil, Ross; Sinitskii, Alexander","Few-layered titanium trisulfide (TiS3) field-effect transistors.","Nanoscale","2015","7","29","12291","12296","10.1039/c5nr01895a","","x-ray","0.71073","MoKα","","0.1771","0.1252","","","0.1463","0.1545","","","","2.56","2.56","2.13","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522226","4.921","","4.921","","26.905","","90","","90","","120","","564.248","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","(Ni Ta)6.5","","- Ni6.5 Ta6.5 -","- Ni6.5 Ta6.5 -","- Ni19.5 Ta19.5 -","3","0.0833333","","Kripyakevich, P.I.; Gladyshevskii, E.I.; Pylaeva, E.N.","Compounds of the W6 Fe7 type in the Ta-Ni and Nb-Ni systems","Kristallografiya","1962","7","","212","216","","","","","","","","","","","","","","","","","","","","","","has coordinates","142447","2020-10-21","18:00:00",""
"1522598","4.091","","4.091","","4.091","","90","","90","","90","","68.468","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ag0.95 Dy0.05)","","- Ag0.95 Dy0.05 -","- Ag0.95 Dy0.05 -","- Ag3.8 Dy0.2 -","4","0.0208333","","Ning, Y.; Zhou, X.; Dai, H.","Metastable extension of solid solubitity if heavy RE in Ag","Chinese Journal of Metal Science and Technology","1991","7","","391","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","142858","2020-10-21","18:00:00",""
"1522725","5.784","","5.784","","3.168","","90","","90","","90","","105.984","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","(Ga0.071 Sn0.929)","","- Ga0.071 Sn0.929 -","- Ga0.071 Sn0.929 -","- Ga0.284 Sn3.716 -","4","0.125","","Predel, B.","Zustandsdiagramm und Eigenschaften von Gallium-Zinn-Legierungen","Journal of the Less-Common Metals","1964","7","","347","355","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1523026","2.73","","2.73","","4.35","","90","","90","","120","","28.077","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Os Re)","","- Os Re -","- Os Re -","- Os Re -","1","0.0416667","","Tylkina, M.A.; Savitskii, E.M.; Polyakova, V.P.","Equilibrium diagram of the Os-Re system","Zhurnal Neorganicheskoi Khimii","1962","7","","1469","1470","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523027","3.66","","3.66","","3.66","","90","","90","","90","","49.028","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Pd0.88 Re0.12)","","- Pd0.88 Re0.12 -","- Pd0.88 Re0.12 -","- Pd3.52 Re0.48 -","4","0.0208333","","Tylkina, M.A.; Savitskii, E.M.; Tsyganova, V.P.","Equilibrium diagrams of alloys of rhenium with platinum group metals (Rh, Pd, Ir)","Zhurnal Neorganicheskoi Khimii","1962","7","","1917","1927","","","","","","","","","","","","","","","","","","","","","","has coordinates","143351","2020-10-21","18:00:00",""
"1523028","3.66","","3.66","","3.66","","90","","90","","90","","49.028","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Re0.1 Rh0.9)","","- Re0.1 Rh0.9 -","- Re0.1 Rh0.9 -","- Re0.4 Rh3.6 -","4","0.0208333","","Tylkina, M.A.; Tsyganova, I.A.; Savitskii, E.M.","Equilibrium diagrams of alloys of rhenium with platinum- group metals (Rh, Pd, Ir)","Zhurnal Neorganicheskoi Khimii","1962","7","","1917","1927","","","","","","","","","","","","","","","","","","","","","","has coordinates","143353","2020-10-21","18:00:00",""
"1523029","3.66","","3.66","","3.66","","90","","90","","90","","49.028","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ir0.73 Re0.27)","","- Ir0.73 Re0.27 -","- Ir0.73 Re0.27 -","- Ir2.92 Re1.08 -","4","0.0208333","","Tylkina, M.A.; Tsyganova, I.A.; Savitskii, E.M.","Equilibrium diagrams of alloys of rhenium with platinum group metals (Rh, Pd, Ir)","Zhurnal Neorganicheskoi Khimii","1962","7","","1917","1927","","","","","","","","","","","","","","","","","","","","","","has coordinates","143355","2020-10-21","18:00:00",""
"1523366","7.239","","7.239","","7.239","","90","","90","","90","","379.346","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Fe2 Yb -","- Fe2 Yb -","- Fe16 Yb8 -","8","0.0416667","","Cannon, J.F.; Robertson, D.L.; Hall, H.T.","Synthesis of lanthanide-iron Laves phases at high pressures and temperatures","Materials Research Bulletin","1972","7","","5","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523375","3.6373","","3.6373","","3.6373","","90","","90","","90","","48.121","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Mo1.08 Ni2.92)","","- Mo1.08 Ni2.92 -","- Mo1.08 Ni2.92 -","- Mo1.08 Ni2.92 -","1","0.00520833","","Casselton, R.E.W.; Hume-Rothery, W.","The equilibrium diagram of the system Mo-Ni","Journal of the Less-Common Metals","1964","7","","212","221","","","","","","","","","","","","","","","","","","","","","","has coordinates","143990","2020-10-21","18:00:00",""
"1523376","3.1441","","3.1441","","3.1441","","90","","90","","90","","31.081","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Mo0.984 Ni0.016)","","- Mo0.984 Ni0.016 -","- Mo0.984 Ni0.016 -","- Mo1.968 Ni0.032 -","2","0.0208333","","Casselton, R.E.W.; Hume-Rothery, W.","The equilibrium diagram of the system Mo-Ni","Journal of the Less-Common Metals","1964","7","","212","221","","","","","","","","","","","","","","","","","","","","","","has coordinates","143991","2020-10-21","18:00:00",""
"1523420","3.896","","3.896","","3.896","","90","","90","","90","","59.137","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Fe0.14 Pt0.86)","","- Fe0.14 Pt0.86 -","- Fe0.14 Pt0.86 -","- Fe0.56 Pt3.44 -","4","0.0208333","","Crangle, J.; Shaw, J.A.","The range of stability of the superlattice Pt3 Fe","Philosophical Magazine, Serie 8(1956-)","1962","7","","207","212","","","","","","","","","","","","","","","","","","","","","","has coordinates","144036","2020-10-21","18:00:00",""
"1523530","5.97","","5.97","","5.97","","90","","90","","90","","212.776","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Li1.67 Sn0.33) P","","- Li1.66 P Sn0.34 -","- Li1.66 P Sn0.34 -","- Li6.64 P4 Sn1.36 -","4","0.0208333","","El Maslout, A.; Motte, J.P.; Gleitzer, C.","Phosphures ternaires de lithium Li2n-3 M Pn-1 (M= Be, Cd, Sn) de structure antifluorine ou derivee","Journal of Solid State Chemistry","1973","7","","250","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523562","4.029","","4.029","","4.029","","90","","90","","90","","65.402","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Lu Pd3 -","- Lu Pd3 -","- Lu Pd3 -","1","0.0208333","","Erdman, B.; Keller, C.","Actinide(lanthinide)-noble metal alloy phases , preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523563","4.027","","4.027","","4.027","","90","","90","","90","","65.305","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Lu Pt3 -","- Lu Pt3 -","- Lu Pt3 -","1","0.0208333","","Erdman, B.; Keller, C.","Actinide(lanthinide)-noble metal alloy phases , preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523564","4.12","","4.12","","4.12","","90","","90","","90","","69.935","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Nd Pd3 -","- Nd Pd3 -","- Nd Pd3 -","1","0.0208333","","Erdman, B.; Keller, C.","Actinide(lanthanide) - noble metal alloy phases, preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523565","4.034","","4.034","","4.034","","90","","90","","90","","65.646","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Np Rh3 -","- Np Rh3 -","- Np Rh3 -","1","0.0208333","","Erdman, B.; Keller, C.","Actinide(lanthanide)-noble metal alloy phases, preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523566","4.037","","4.037","","4.037","","90","","90","","90","","65.792","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pa Rh3 -","- Pa Rh3 -","- Pa Rh3 -","1","0.0208333","","Erdman, B.; Keller, C.","Actinide(lanthanide)-noble metal alloy phases, preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523567","4.095","","4.095","","4.095","","90","","90","","90","","68.669","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pd3 Pu -","- Pd3 Pu -","- Pd3 Pu -","1","0.0208333","","Erdman, B.; Keller, C.","Actinide(lanthanide)-noble metal alloy phases, preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523568","3.969","","3.969","","3.969","","90","","90","","90","","62.524","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pd3 Sc -","- Pd3 Sc -","- Pd3 Sc -","1","0.0208333","","Erdman, B.; Keller, C.","Actinide(lanthanide)-noble metal alloy phases, preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523569","4.061","","4.061","","4.061","","90","","90","","90","","66.973","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pd3 Y -","- Pd3 Y -","- Pd3 Y -","1","0.0208333","","Erdman, B.; Keller, C.","Actinide(lanthanide)-noble metal alloy phases, preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523570","4.105","","4.105","","4.105","","90","","90","","90","","69.173","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pt3 Pu -","- Pt3 Pu -","- Pt3 Pu -","1","0.0208333","","Erdman, B.; Keller, C.","Actinide(lanthanide)-noble metal alloy phases, preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523571","4.04","","4.04","","4.04","","90","","90","","90","","65.939","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pt3 Tm -","- Pt3 Tm -","- Pt3 Tm -","1","0.0208333","","Erdman, B.; Keller, C.","Actinide(lanthanide)-noble metal alloy phases, preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523572","4.042","","4.042","","4.042","","90","","90","","90","","66.037","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pu Rh3 -","- Pu Rh3 -","- Pu Rh3 -","1","0.0208333","","Erdman, B.; Keller, C.","Noble metal alloy phases, preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523573","3.909","","3.909","","3.909","","90","","90","","90","","59.731","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Rh3 Sc -","- Rh3 Sc -","- Rh3 Sc -","1","0.0208333","","Erdman, B.; Keller, C.","Actinide(lanthanide)- noble metal alloy phases, preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523574","7.483","","7.483","","7.483","","90","","90","","90","","419.013","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ir2 Np -","- Ir2 Np -","- Ir16 Np8 -","8","0.0416667","","Erdman, B.; Keller, C.","Actinide (lanthanide) - noble metal alloy phases. Preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523575","4.047","","4.047","","4.047","","90","","90","","90","","66.283","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ir3 Pa -","- Ir3 Pa -","- Ir3 Pa -","1","0.0208333","","Erdman, B.; Keller, C.","Actinide (lanthanide) - noble metal alloy phases. Preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523576","7.518","","7.518","","7.518","","90","","90","","90","","424.92","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ir2 Pu -","- Ir2 Pu -","- Ir16 Pu8 -","8","0.0416667","","Erdman, B.; Keller, C.","Actinide (lanthanide) - noble metal alloy phases. Preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523577","4.037","","4.037","","4.037","","90","","90","","90","","65.792","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ir3 U -","- Ir3 U -","- Ir3 U -","1","0.0208333","","Erdman, B.; Keller, C.","Actinide (lanthanide) - noble metal alloy phases. Preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523578","7.781","","7.781","","7.781","","90","","90","","90","","471.093","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- La Pt2 -","- La Pt2 -","- La8 Pt16 -","8","0.0416667","","Erdman, B.; Keller, C.","Noble metal alloy phases, preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523777","3.7021","","3.7021","","5.8437","","90","","90","","120","","69.361","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(La0.307 Y0.693)","","- La0.307 Y0.693 -","- La0.307 Y0.693 -","- La0.614 Y1.386 -","2","0.0833333","","Harris, I.R.; Raynor, G.V.","The constitution of ytrrium-cerium and yttrium-lanthanum alloys, with special reference to lattice spacings","Journal of the Less-Common Metals","1964","7","","1","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","144399","2020-10-21","18:00:00",""
"1523848","2.75","","2.75","","4.418","","90","","90","","120","","28.935","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Nb0.25 Ru0.75 -","- Nb0.25 Ru0.75 -","- Nb0.5 Ru1.5 -","2","0.0833333","","Hurley, G.F.; Brophy, J.H.","A constitution diagram for the niobium-ruthenium system above 1100 degree C","Journal of the Less-Common Metals","1964","7","","267","277","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524045","5.001","","5.001","","4.034","","90","","90","","120","","87.374","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Cu0.5 Ni0.5)5 Eu","","- Cu2.5 Eu Ni2.5 -","- Cu2.5 Eu Ni2.5 -","- Cu2.5 Eu Ni2.5 -","1","0.0416667","","Bauminger, E.R.; Felner, I.; Ofer, S.","Mixed valences of Eu in intermetallic compounds with the Ca Cu5 structure","Journal of Magnetism and Magnetic Materials","1978","7","","317","325","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524046","5.156","","5.156","","4.092","","90","","90","","120","","94.209","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Eu (Ni0.5 Zn0.5)5","","- Eu Ni2.5 Zn2.5 -","- Eu Ni2.5 Zn2.5 -","- Eu Ni2.5 Zn2.5 -","1","0.0416667","","Bauminger, E.R.; Felner, I.; Ofer, S.","Mixed valencies of Eu in intermetallic compounds with the Ca Cu5 structure","Journal of Magnetism and Magnetic Materials","1978","7","","317","325","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524047","5.437","","5.437","","4.316","","90","","90","","120","","110.492","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Eu Zn5 -","- Eu Zn5 -","- Eu Zn5 -","1","0.0416667","","Bauminger, E.R.; Ofer, S.; Felner, I.","Mixed valencies of Eu in intermetallic compounds with the Ca Cu5 structure","Journal of Magnetism and Magnetic Materials","1978","7","","317","325","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524304","6.052","","6.052","","6.052","","90","","90","","90","","221.665","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","(Cd Li2 Mg) P2","","- Cd Li2 Mg P2 -","- Cd Li2 Mg P2 -","- Cd2 Li4 Mg2 P4 -","2","0.0104167","","El Maslout, A.; Motte, J.P.; Gleitzer, C.","Phosphures ternaires de lithium Li2n-2 M Pn-1 (M= Be, Cd, Sn) de structure antifluorine ou derive","Journal of Solid State Chemistry","1973","7","","250","254","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524324","4.052","","4.052","","4.052","","90","","90","","90","","66.529","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Er Pt3 -","- Er Pt3 -","- Er Pt3 -","1","0.0208333","","Erdman, B.; Keller, C.","Actinide (lanthanide) - noble metal alloy phases, preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524325","7.561","","7.561","","7.561","","90","","90","","90","","432.253","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Cm Ir2 -","- Cm Ir2 -","- Cm8 Ir16 -","8","0.0416667","","Erdman, B.; Keller, C.","Actinide (lanthanide)-noble metal alloy phases, preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524326","4.147","","4.147","","4.147","","90","","90","","90","","71.318","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Cm Pd3 -","- Cm Pd3 -","- Cm Pd3 -","1","0.0208333","","Erdman, B.; Keller, C.","Actinide (lanthanide)-noble metal alloy phases, preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524327","7.625","","7.625","","7.625","","90","","90","","90","","443.322","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Cm Pt2 -","- Cm Pt2 -","- Cm8 Pt16 -","8","0.0416667","","Erdman, B.; Keller, C.","Actinide (lanthanide)-noble metal alloy phases, preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524328","7.641","","7.641","","7.641","","90","","90","","90","","446.119","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Eu Pt2 -","- Eu Pt2 -","- Eu8 Pt16 -","8","0.0416667","","Erdmann, B.; Keller, C.","Actinide (lanthanide) - noble metal alloy phases, preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524904","7.22","","7.22","","7.22","","90","","90","","90","","376.367","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Er (Ni0.88 Si0.12)2","","- Er Ni1.76 Si0.24 -","- Er Ni1.76 Si0.24 -","- Er8 Ni14.08 Si1.92 -","8","0.0416667","","Mayer, I.; Felner, I.","Structure of ternary rare earth-transition metal silicides of the Ln Mx Si2-x type","Journal of Solid State Chemistry","1973","7","","292","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525161","7.449","","7.449","","7.449","","90","","90","","90","","413.327","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Co2 La -","- Co2 La -","- Co16 La8 -","8","0.0416667","","Robertson, D.L.; Cannon, J.F.; Hall, H.T.","High-pressure and high-temperature synthesis of La Co2","Materials Research Bulletin","1972","7","","977","982","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525545","7.615","","6.245","","7.62","","90","","90","","90","","362.374","","","","","","","","","","","","","3","P c a m","-P 2c 2ac","57","","Rb (Fe F4)","","- F4 Fe Rb -","- F4 Fe Rb -","- F16 Fe4 Rb4 -","4","0.5","","Abrahams, S.C.; Bernstein, J.L.","Ferroelastic effect in Rb Fe F4 and Cs Fe F4","Materials Research Bulletin","1972","7","","715","720","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525685","9.4778","","9.7728","","3.6299","","90","","90","","90","","336.218","","","","","","","","","","","","","4","B b m m","-B 2 2b","63","","Al2 Ti0.656 Mo0.344 O5","","- Al2 Mo0.344 O5 Ti0.656 -","- Al2 Mo0.344 O5 Ti0.656 -","- Al8 Mo1.376 O20 Ti2.624 -","4","0.25","","Biswas, S.K.; Datta, T.K.; Chowdury, D.A.; Alamgir, M.","Synthesis and X-ray diffraction study of Al2 Ti0.656 Mo0.344 O5","Nuclear Science and Applications","1998","7","","33","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1525725","7.593","","7.593","","4.841","","90","","90","","90","","279.101","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Na2 Li Be2 F7","","- Be2 F7 Li Na2 -","- Be2 F7 Li Na2 -","- Be4 F14 Li2 Na4 -","2","0.25","","Brunton, G.","The crystal structure of Na2 Li Be2 F7","Materials Research Bulletin","1972","7","","641","646","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525806","9.022","","5.288","","8.623","","90","","90","","90","","411.389","","","","","","","","","","","","","5","P c a 21","P 2c -2ac","29","","(N H4) Li Be F4","","- Be F4 H4 Li N -","- Be F4 H4 Li N -","- Be4 F16 H16 Li4 N4 -","4","1","","Chung, S.J.; Hahn, T.","Tetrahedral-framework structures of (N H4) Li Be F4 and Cs Li Be F4","Materials Research Bulletin","1972","7","","1209","1218","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1525808","9.306","","5.383","","8.738","","90","","90","","89.75","","437.719","","","","","","","","","","","","","4","P 1 1 21/n","-P 2n","14","","Cs Li (Be F4)","","- Be Cs F4 Li -","- Be Cs F4 Li -","- Be4 Cs4 F16 Li4 -","4","1","","Chung, S.J.; Hahn, T.","Tetrahedral-framework structures of (N H4) Li Be F4 and Cs Li Be F4","Materials Research Bulletin","1972","7","","1209","1218","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525844","10.238","","10.238","","10.238","","90","","90","","90","","1073.11","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Bi2 Rh2 O6.8","","- Bi2 O6.8 Rh2 -","- Bi2 O6.7 Rh2 -","- Bi16 O53.6 Rh16 -","8","0.0416667","","Longo, J.M.; Raccah, P.M.; Kafalas, J.A.; Pierce, J.W.","Preparation and structure of a pyrochlore and perovskite in the Bi Rh O3+x system","Materials Research Bulletin","1972","7","","137","146","","","","","","","","","","","","","","","","","","","","","","has coordinates","146907","2020-10-21","18:00:00",""
"1526043","23.067","","14.992","","8.772","","90","","90","","90","","3033.54","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","","","- Bi12 Cl14 -","- Bi12 Cl14 -","- Bi48 Cl56 -","4","0.5","","Friedman, R.M.; Corbett, J.D.","On the synthesis and crystal structure of dodecabismuth tetradecachloride, Bi12 Cl14","Inorganica Chimica Acta","1973","7","","525","527","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1526205","10.761","","10.761","","10.761","","90","","90","","90","","1246.11","","","","","","","","","","","","","6","F m -3 m","-F 4 2 3","225","","Mn3 (Cr (C N)6)2 (H2 O)15","","- C12 H30 Cr2 Mn3 N12 O15 -","- C12 Cr2 Mn3 N12 O15.0144 -","- C12 Cr2 Mn3 N12 O15.0144 -","1","0.00520833","","Guedel, H.U.; Ludi, A.; Stucki, H.","The crystal structure of manganese(II) hexacyanochromate(III), Mn3 (Cr (C N)6)2 (H2 O)x","Inorganica Chimica Acta","1973","7","","121","124","","","","","","","","","","","","","","","","","","","","","","has coordinates","147337","2020-10-21","18:00:00",""
"1526683","12.205","","12.205","","3.774","","90","","90","","90","","562.183","","","","","","","","","","","","","1","P -4 21 m","P -4 2ab","113","","Sn.11 W O3","","- W -","- W -","- W10 -","10","1.25","","Steadman, R.","On the structure of tetragonal Tin-Tungsten bronzes","Materials Research Bulletin","1972","7","","1143","1150","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1527082","7.285","","7.517","","3.835","","90","","90","","90","","210.01","","","","","","","","","","","","","1","P 1 21/a 1","-P 2yab","14","","W O3","","- W -","- W -","- W4 -","4","1","","Andersson, G.","On the crystal structure of tungsten trioxide","Acta Chemica Scandinavica (1-27,1973-42,1988)","1953","7","","154","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1527100","12.28","","3.6","","8","","90","","96.25","","90","","351.562","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Na Ca.5 V6 O16","","- Ca0.5 Na O16 V6 -","- Ca0.5 Na O16 V6 -","- Ca0.5 Na O16 V6 -","1","0.25","","Bachmann, H.G.; Barnes, W.H.","The crystal structure of a sodium-calcium variety of Metahewettite","Canadian Mineralogist","1962","7","","219","235","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527199","10.4","","9.8989","","3.5315","","90","","90","","90","","363.563","","","","","","","","","","","","","3","P n a m","-P 2c 2n","62","","Y2 O Be O3","","- Be O4 Y2 -","- Be O4 Y2 -","- Be4 O16 Y8 -","4","0.5","","Buerger, M.J.; Venkatakrishnan, V.","Crystals with the Warwickite structure","Materials Research Bulletin","1972","7","","1201","1208","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527228","9.097","","9.097","","9.097","","90","","90","","90","","752.826","","","","","","","","","","","","","2","P -4 3 m","P -4 2 3","215","","","","- Cu9 In4 -","- Cu9 In4 -","- Cu36 In16 -","4","0.166667","","Che Guangcan; Ellner, M.","Powder crystal data for the high-temperature phases Cu4 In, Cu9 In4 (h) and Cu2 In (h)","Powder Diffraction","1992","7","","107","108","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527314","4.8","","16.15","","6.32","","90","","97","","90","","486.275","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","K (As F4 (O H)2)","","- As F4 H2 K O2 -","- As F4.02 K O1.98 -","- As4 F16.08 K4 O7.92 -","4","0.5","","Dunken, H.; Haase, W.; Schöunherr, F.","Kristallstrukturuntersuchungen an Fluorverbindungen der V. Hauptgruppe; die Kristallstruktur von Kaliumdihydroxotetrafluoroarsenat","Zeitschrift für Chemie","1967","7","10","399","400","10.1002/zfch.19670071018","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527315","28.3","","11.39","","9.51","","90","","90","","90","","3065.43","","","","","","","","","","","","","2","P b c n","-P 2n 2ab","60","","K As O H F5","","- As K -","- As K -","- As24 K24 -","24","3","","Dunken, H.; Haase, W.; Schöunherr, F.","Kristallstrukturuntersuchungen an Fluorverbindungen der V. Hauptgruppe; zur Kristallstruktur von Kaliummonohydroxopentafluoroarsenat","Zeitschrift für Chemie","1967","7","11","442","443","10.1002/zfch.19670071130","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527567","10.7686","","4.0348","","13.2805","","90","","90","","90","","577.026","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Cu4 S3 -","- Ba Cu4 S3 -","- Ba4 Cu16 S12 -","4","0.5","","Iglesias, J.E.; Pachali, K.E.; Steinfink, H.","The crystal structures and phase transition of alpha and beta Ba Cu4 S3","Materials Research Bulletin","1972","7","","1247","1258","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527568","4.0584","","13.8637","","10.3733","","90","","90","","90","","583.648","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ba Cu4 S3 -","- Ba Cu4 S3 -","- Ba4 Cu16 S12 -","4","0.25","","Iglesias, J.E.; Pachali, K.E.; Steinfink, H.","The crystal structures and phase transition of alpha and beta Ba Cu4 S3","Materials Research Bulletin","1972","7","","1247","1258","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527863","3.788","","3.788","","5.942","","90","","90","","90","","85.261","","","","","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","Cu2 As","","- As Cu2 -","- As Cu2 -","- As2 Cu4 -","2","0.125","","Naud, J.; Priest, P.","Contribution a l'etude du systeme cuivre-arsenic","Materials Research Bulletin","1972","7","","783","792","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528245","13.64","","7.68","","5.99","","90","","90","","90","","627.484","","","","","","","","","","","","","4","P b a n :2","-P 2ab 2b","50","","Ca (B (O H)4)2","","- B2 Ca H8 O8 -","- B2 Ca O8 -","- B8 Ca4 O32 -","4","0.5","","Zeigan, D.","Zur Struktur einer neuen Modifikation von Calcium (1:1:4)-borathydrat","Zeitschrift für Chemie","1967","7","6","241","242","10.1002/zfch.19670070628","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528438","11.164","","11.164","","10.638","","90","","90","","90","","1325.87","","","","","","","","","","","","","5","P 42 c m","P 4c -2c","101","","((C H3)4 N) (Cu2 (N C S)3)","","- C7 H12 Cu2 N4 S3 -","- C7 H12 Cu2 N4 S3 -","- C28 H48 Cu8 N16 S12 -","4","0.5","","Dilshad, R.; Klepp, K.O.; Boller, H.","[Me4 N] [Cu2 (N C S)3] a compound having a framework structure with large channels","Solid State Sciences","2005","7","","1230","1235","","","","","","","","","","","","","","","","","","","","","","has coordinates","150668","2020-10-21","18:00:00",""
"1528715","7.978","","6.332","","8.332","","90","","90","","90","","420.905","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cs (S C N)","","- C Cs N S -","- C Cs N S -","- C4 Cs4 N4 S4 -","4","0.5","","Manolatos, S.; Tillinger, M.; Post, B.","Polymorphism in cesium thiocyanate","Journal of Solid State Chemistry","1973","7","","31","35","","","","","","","","","","","","","","","","","","","","","","has coordinates","301777","2025-08-18","15:08:08",""
"1528818","12.857","","12.857","","7.161","","90","","90","","120","","1025.14","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Cu6.78 V6 O18.78","","- Cu6.78 O18.78 V6 -","- Cu6.78 O18.7804 V6 -","- Cu20.34 O56.3412 V18 -","3","0.166667","","Rea, J.R.; Kostiner, E.","The crystal structure of alpha-copper vanadate","Journal of Solid State Chemistry","1973","7","","17","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","151530","2020-10-21","18:00:00",""
"1528834","8.6475","","8.6475","","8.507","","90","","90","","120","","550.92","","","","","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","(C N3 H6) (Ta F6)","","- C H6 F6 N3 Ta -","- C F6 N3 Ta -","- C3 F18 N9 Ta3 -","3","0.0833333","","Saada, M.A.; Hemon-Ribaud, A.; Leblanc, M.; Maisonneuve, V.","Anion and cation disorder in [C N3 H6].(Ta F6)","Solid State Sciences","2005","7","","1070","1073","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528964","3.3684","","4.4762","","12.26","","90","","90","","90","","184.852","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Sc3 Rh C4","","- C4 Rh Sc3 -","- C4 Rh Sc3 -","- C8 Rh2 Sc6 -","2","0.125","","Vogt, C.; Hoffmann, R.D.; Poettgen, R.","The superstructure of Sc3 Rh C4 and Sc3 Ir C4","Solid State Sciences","2005","7","","1003","1009","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528965","3.3966","","4.4525","","12.2424","","90","","90","","90","","185.146","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Sc3 Ir C4","","- C4 Ir Sc3 -","- C4 Ir Sc3 -","- C8 Ir2 Sc6 -","2","0.125","","Vogt, C.; Hoffmann, R.D.; Poettgen, R.","The superstructure of Sc3 Rh C4 and Sc3 Ir C4","Solid State Sciences","2005","7","","1003","1009","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529100","3.64","","3.64","","5.27","","90","","90","","90","","69.825","","","","","","","","","","","","","3","P 42/n m c :1","P 4n 2n -1n","137","","Zr.900 Sc.100 O1.950","","- O1.95 Sc0.1 Zr0.9 -","- O1.95 Sc0.1 Zr0.9 -","- O3.9 Sc0.2 Zr1.8 -","2","0.125","","Barker, W.W.; Garrett, W.; Bailey, F.P.","A High-Temperature Neutron Diffraction Study of Pure and Scandia-Stabilized Zirconia","Journal of Solid State Chemistry","1973","7","","448","453","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529101","5.27","","5.27","","5.27","","90","","90","","90","","146.363","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Zr0.786 Sc0.214) O1.893","","- O1.893 Sc0.214 Zr0.786 -","- O1.894 Sc0.214 Zr0.786 -","- O7.576 Sc0.856 Zr3.144 -","4","0.0208333","","Barker, W.W.; Bailey, F.P.; Garrett, W.","A high-temperature neutron diffraction study of pure and scandia-stabilized zirconia","Journal of Solid State Chemistry","1973","7","","448","453","","","","","","","","","","","","","","","","","","","","","","has coordinates","152164","2020-10-21","18:00:00",""
"1529633","15.36","","15.36","","20.41","","90","","90","","90","","4815.32","","","","","","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","La10 S14 O0.45 S0.55","","- La10 O0.45 S14.55 -","- La10 O0.45 S14.55 -","- La80 O3.6 S116.4 -","8","0.25","","Besancon, P.","Teneur en oxygene et formule exacte d'une famile de composes habituellement appeles - variete beta - ou - phase complexe des sulfures de terres rares","Journal of Solid State Chemistry","1973","7","","232","240","","","","","","","","","","","","","","","","","","","","","","has coordinates","154110","2020-10-21","18:00:00",""
"1529962","40.92","","4.93","","5.27","","90","","90","","90","","1063.15","","","","","","","","","","","","","3","I m a 2","I 2 -2a","46","","Nb2 Zr6 O17","","- Nb2 O17 Zr6 -","- Nb2 O17 Zr6 -","- Nb8 O68 Zr24 -","4","0.5","","Galy, J.; Roth, R.S.","The crystal structure of Nb2 Zr6 O17","Journal of Solid State Chemistry","1973","7","","277","285","","","","","","","","","","","","","","","","","","","","","","has coordinates","154901","2020-10-21","18:00:00",""
"1529968","5.047","","5.047","","6.486","","90","","90","","90","","165.213","","","","","","","","","","","","","4","I -4 2 m","I -4 2","121","","Li2 Ca Si O4","","- Ca Li2 O4 Si -","- Ca Li2 O4 Si -","- Ca2 Li4 O8 Si2 -","2","0.125","","Gard, J.A.; West, A.R.","Preparation and crystal structure of Li2 Ca Si O4 and isostructural Li2 Ca Ge O4","Journal of Solid State Chemistry","1973","7","","422","427","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529969","5.141","","5.141","","6.595","","90","","90","","90","","174.305","","","","","","","","","","","","","4","I -4 2 m","I -4 2","121","","Li2 Ca Ge O4","","- Ca Ge Li2 O4 -","- Ca Ge Li2 O4 -","- Ca2 Ge2 Li4 O8 -","2","0.125","","Gard, J.A.; West, A.R.","Preparation and crystal structure of Li2 Ca Si O4 and isostructural Li2 Ca Ge O4","Journal of Solid State Chemistry","1973","7","","422","427","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530311","7.638","","7.638","","4.876","","90","","90","","120","","246.351","","","","","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","Ni I2 (H2 O)6","","- H12 I2 Ni O6 -","- H12 I2 Ni O6 -","- H12 I2 Ni O6 -","1","0.0833333","","Louer, M.; Grandjean, D.; Weigel, D.","Structure cristalline et expansion thermique de l'iodure de nickel hexahydrate","Journal of Solid State Chemistry","1973","7","","222","228","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1530636","4.966","","4.966","","14.0845","","90","","90","","120","","300.805","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Cu V O3","","- Cu O3 V -","- Cu O3 V -","- Cu6 O18 V6 -","6","0.333333","","Rea, J.R.; Kostiner, E.","The crystal structure of Cu V O3 (II), a high-pressure Ilmenite phase","Journal of Solid State Chemistry","1973","7","","163","168","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530879","7.473","","7.473","","7.473","","90","","90","","90","","417.335","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Si (P2 O7)","","- O7 P2 Si -","- O7 P2 Si -","- O28 P8 Si4 -","4","0.166667","","Tillmanns, E.; Baur, W.H.; Gebert, W.","Computer Simulation of Crystal Structures applied to the Solution of the Superstructure of Cubic Silicon-diphosphate","Journal of Solid State Chemistry","1973","7","","69","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531039","14.3767","0.0009","24.3477","0.0016","24.5528","0.0014","90.131","0.002","93.427","0.003","91.09","0.003","8577.5","0.9","100","2","100","2","","","","","","","","5","P 1","P 1","1","","NR443-B","","- C70.45 H104.45 Cl13.38 N8 O12.05 -","- C70.4595 H104.46 Cl13.3785 N8 O12.053 -","- C281.838 H417.838 Cl53.514 N32 O48.212 -","4","4","","Rodríguez-Vázquez, Nuria; García-Fandiño, Rebeca; Amorín, Manuel; Granja, Juan R.","Self-assembling α,γ-cyclic peptides that generate cavities with tunable properties","Chem. Sci.","2016","7","1","183","","10.1039/C5SC03187G","","x-ray","0.71073","MoKα","","0.1402","0.0823","","","0.1987","0.2339","","","","","","1.016","","","","has coordinates,has disorder","175932","2020-10-21","18:00:00",""
"1531401","3.916","","3.916","","3.916","","90","","90","","90","","60.052","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Pb.56 La.30 Ti O3","","- La0.3 O3 Pb0.56 Ti -","- La0.3 O3 Pb0.56 Ti -","- La0.3 O3 Pb0.56 Ti -","1","0.0208333","","Hennings, D.; Rosenstein, G.","X-ray structure investigation of Lanthanum modified Lead titanate with A-site and B-site vacancies","Materials Research Bulletin","1972","7","","1505","1514","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532467","26.261","0.003","5.162","0.0004","9.7804","0.001","90","","111.188","0.012","90","","1236.2","0.2","173","2","173","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C11 H7 F2 N3 O3 S -","- C11 H7 F2 N3 O3 S -","- C44 H28 F8 N12 O12 S4 -","4","1","","Zhang, Huatang; Liu, Ruochuan; Liu, Jie; Li, Lin; Wang, Ping; Yao, Shao Q.; Xu, Zhengtao; Sun, Hongyan","A minimalist fluorescent probe for differentiating Cys, Hcy and GSH in live cells","Chem. Sci.","2016","7","1","256","","10.1039/C5SC02431E","","","1.54178","CuKα","","0.0308","0.0293","","","0.0848","0.0857","","","","","","1.088","","","","has coordinates","175922","2020-10-21","18:00:00",""
"1532488","5.2396","0.0012","10.766","0.002","12.305","0.002","97.556","0.01","93.106","0.012","95.573","0.01","683.3","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H10 Br N3 O2 -","- C15 H10 Br N3 O2 -","- C30 H20 Br2 N6 O4 -","2","1","","Vincent-Rocan, Jean-François; Ivanovich, Ryan A.; Clavette, Christian; Leckett, Kyle; Bejjani, Julien; Beauchemin, André M.","Cascade reactions of nitrogen-substituted isocyanates: a new tool in heterocyclic chemistry","Chem. Sci.","2016","7","1","315","","10.1039/C5SC03197D","","","0.71073","MoKα","","0.0419","0.0334","","","0.0846","0.0891","","","","","","1.031","","","","has coordinates,has disorder","301778","2025-08-18","15:17:09",""
"1532489","9.3536","0.0002","17.701","0.0004","9.8752","0.0002","90","","111.505","0.0012","90","","1521.2","0.06","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 S -","- C18 H15 N3 S -","- C72 H60 N12 S4 -","4","1","","Vincent-Rocan, Jean-François; Ivanovich, Ryan A.; Clavette, Christian; Leckett, Kyle; Bejjani, Julien; Beauchemin, André M.","Cascade reactions of nitrogen-substituted isocyanates: a new tool in heterocyclic chemistry","Chem. Sci.","2016","7","1","315","","10.1039/C5SC03197D","","","0.71073","MoKα","","0.0497","0.0396","","","0.1047","0.1127","","","","","","1.033","","","","has coordinates,has disorder","175927","2020-10-21","18:00:00",""
"1532503","15.6926","0.0012","17.5019","0.0012","21.2042","0.0017","90","","110.633","0.0014","90","","5450.2","0.7","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H80 Fe2 O6 P2 Si8 -","- C38 H80 Fe2 O6 P2 Si8 -","- C152 H320 Fe8 O24 P8 Si32 -","4","1","","Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki","Persistent four-coordinate iron-centered radical stabilized by π-donation","Chem. Sci.","2016","7","1","191","","10.1039/C5SC02601F","","","0.71075","MoKα","","0.0829","0.0716","","","0.1764","0.1846","","","","","","1.092","","","","has coordinates","175939","2020-10-21","18:00:00",""
"1532504","9.4542","0.0008","11.3877","0.001","16.3807","0.0015","75.408","0.005","87.846","0.007","79.154","0.006","1676.1","0.3","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H52 Fe N O3 P Si4 -","- C26 H52 Fe N O3 P Si4 -","- C52 H104 Fe2 N2 O6 P2 Si8 -","2","1","","Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki","Persistent four-coordinate iron-centered radical stabilized by π-donation","Chem. Sci.","2016","7","1","191","","10.1039/C5SC02601F","","","0.71075","MoKα","","0.0328","0.0318","","","0.0845","0.0855","","","","","","1.069","","","","has coordinates","175939","2020-10-21","18:00:00",""
"1532505","11.1846","0.0009","11.2283","0.001","14.972","0.002","83.758","0.015","76.946","0.013","60.902","0.008","1600.5","0.3","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H49 Fe O3 P Si5 -","- C22 H49 Fe O3 P Si5 -","- C44 H98 Fe2 O6 P2 Si10 -","2","1","","Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki","Persistent four-coordinate iron-centered radical stabilized by π-donation","Chem. Sci.","2016","7","1","191","","10.1039/C5SC02601F","","","0.71075","MoKα","","0.0561","0.0444","","","0.0977","0.1048","","","","","","1.072","","","","has coordinates","175939","2020-10-21","18:00:00",""
"1532506","11.387","0.003","14.883","0.004","24.983","0.006","90","","90","","90","","4233.9","1.9","123","","123","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H56 Fe O3 P Si4 Sn -","- C37 H56 Fe O3 P Si4 Sn -","- C148 H224 Fe4 O12 P4 Si16 Sn4 -","4","1","","Sunada, Yusuke; Ishida, Shintaro; Hirakawa, Fumiya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kanegawa, Shinji; Sato, Osamu; Nagashima, Hideo; Iwamoto, Takeaki","Persistent four-coordinate iron-centered radical stabilized by π-donation","Chem. Sci.","2016","7","1","191","","10.1039/C5SC02601F","","","0.71075","MoKα","","0.0741","0.0592","","","0.1244","0.1351","","","","","","1.089","","","","has coordinates","175939","2020-10-21","18:00:00",""
"1533036","5.771","","5.771","","14.136","","90","","90","","120","","407.717","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Ca Ti F6","","- Ca F6 Ti -","- Ca F6 Ti -","- Ca3 F18 Ti3 -","3","0.0833333","","Ravez, J.; Vassiliadis, M.; von der Muehll, R.; Hagenmuller, P.","Les systemes M F2 Ti F4 (M = Ca, Sr, Ba)","Revue de Chimie Minerale","1970","7","","967","973","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533475","6.0415","","8.6032","","6.0748","","90","","90","","90","","315.745","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","(Ba0.5 Sr0.5) ((Ce0.475 Zr0.475 Yb0.05) O2.975)","","- Ba0.5 Ce0.475 O2.975 Sr0.5 Yb0.05 Zr0.475 -","- Ba0.5 Ce0.475 O2.976 Sr0.5 Yb0.05 Zr0.475 -","- Ba2 Ce1.9 O11.904 Sr2 Yb0.2 Zr1.9 -","4","0.5","","Antoine, O.; Hatchwell, C.; McEvoy, A.J.; Mather, G.C.","Structure and conductivity of a Yb-doped (Sr Ce O3) - (Ba Zr O3) solid solution","Electrochemical Society Proceedings","2003","7","","379","387","","","","","","","","","","","","","","","","","","","","","","has coordinates","159720","2020-10-21","18:00:00",""
"1534095","8.2474","0.0016","12.543","0.003","29.019","0.006","90","","90","","90","","3001.9","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 N0 O8 -","- C32 H40 O8 -","- C128 H160 O32 -","4","1","","Yang, Shanshan; Sun, Jiachen; Lu, Hong; Ma, Hong; Zhang, Yaozhou","Bioactivity-guided isolation of anticancer compounds from Euphorbia lathyris","Anal. Methods","2015","7","22","9568","","10.1039/C5AY02204E","","","0.71073","MoKα","","0.1205","0.0668","","","0.1111","0.126","","","","","","1.019","","","","has coordinates","170917","2020-10-21","18:00:00",""
"1534126","7.2317","0.0005","11.2958","0.0007","32.232","0.002","90","","90","","90","","2633","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H13 N O3 -","- C16 H13 N O3 -","- C128 H104 N8 O24 -","8","1","","Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip","A bio-inspired synthesis of oxindoles by catalytic aerobic dual C–H functionalization of phenols","Chem. Sci.","2016","7","1","358","","10.1039/C5SC02395E","","","0.71073","MoKα","","0.0437","0.0371","","","0.0943","0.099","","","","","","1.027","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1534127","5.792","0.003","23.556","0.009","11.041","0.005","90","","113.83","0.03","90","","1378","1.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip","A bio-inspired synthesis of oxindoles by catalytic aerobic dual C–H functionalization of phenols","Chem. Sci.","2016","7","1","358","","10.1039/C5SC02395E","","","1.54178","CuKα","","0.0458","0.0392","","","0.1006","0.1056","","","","","","1.07","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1534128","11.1595","0.0011","6.7253","0.0007","11.4275","0.0012","90","","103.413","0.001","90","","834.25","0.15","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H19 N O5 -","- C18 H19 N O5 -","- C36 H38 N2 O10 -","2","1","","Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip","A bio-inspired synthesis of oxindoles by catalytic aerobic dual C–H functionalization of phenols","Chem. Sci.","2016","7","1","358","","10.1039/C5SC02395E","","","0.71073","MoKα","","0.0359","0.0334","","","0.0849","0.0872","","","","","","1.033","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1534129","7.6287","0.0009","11.5801","0.0013","20.615","0.002","90","","90","","90","","1821.2","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O4 -","- C23 H19 N O4 -","- C92 H76 N4 O16 -","4","1","","Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip","A bio-inspired synthesis of oxindoles by catalytic aerobic dual C–H functionalization of phenols","Chem. Sci.","2016","7","1","358","","10.1039/C5SC02395E","","","0.71073","MoKα","","0.0565","0.0391","","","0.0765","0.0829","","","","","","1.059","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1534130","13.668","0.006","15.095","0.006","19.109","0.008","79.735","0.004","89.183","0.004","63.926","0.004","3475","3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C54.5 H79 Cl5 Cu2 F12 N6 O6 Sb2 -","- C54.5 H79 Cl5 Cu2 F12 N6 O6 Sb2 -","- C109 H158 Cl10 Cu4 F24 N12 O12 Sb4 -","2","1","","Huang, Zheng; Askari, Mohammad S.; Esguerra, Kenneth Virgel N.; Dai, Tian-Yang; Kwon, Ohhyeon; Ottenwaelder, Xavier; Lumb, Jean-Philip","A bio-inspired synthesis of oxindoles by catalytic aerobic dual C‒H functionalization of phenols","Chem. Sci.","2016","7","1","358","","10.1039/C5SC02395E","","","0.71073","MoKα","","0.1275","0.0567","","","0.1213","0.1484","","","","","","1","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"1534131","7.553","0.005","12.357","0.007","12.549","0.008","83.18","0.04","74.39","0.02","84.51","0.04","1117.6","1.2","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H54 B2 O4 -","- C64 H54 B2 O4 -","- C64 H54 B2 O4 -","1","0.5","","Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro","Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance","Chem. Sci.","2016","7","1","219","","10.1039/C5SC02246K","","","0.71069","MoKα","","0.1813","0.0694","","","0.1185","0.1597","","","","","","0.947","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1534132","11.769","0.012","14.134","0.013","23.62","0.02","84.13","0.03","87.54","0.02","84.78","0.02","3890","6","98","2","98","2","","","","","","","","4","P -1","-P 1","2","","","","- C96 H118 B2 O4 -","- C96 H118 B2 O4 -","- C192 H236 B4 O8 -","2","1","","Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro","Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance","Chem. Sci.","2016","7","1","219","","10.1039/C5SC02246K","","","0.7107","MoKα","","0.1791","0.1016","","","0.2431","0.3144","","","","","","1.064","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1534133","15.4324","0.0012","29.3994","0.0018","21.2075","0.0013","90","","97.632","0.002","90","","9536.7","1.1","103","2","103","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C102 H130 B2 K3 N6 O18 -","- C102 H130 B2 K3 N6 O18 -","- C408 H520 B8 K12 N24 O72 -","4","1","","Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro","Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance","Chem. Sci.","2016","7","1","219","","10.1039/C5SC02246K","","","0.71075","MoKα","","0.106","0.088","","","0.2196","0.2351","","","","","","1.15","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1534134","17.0469","0.0003","17.6986","0.0003","23.1757","0.0004","90","","99.4921","0.0009","90","","6896.5","0.2","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C88 H82 B2 N4 O4 -","- C88 H82 B2 N4 O4 -","- C352 H328 B8 N16 O16 -","4","1","","Osumi, Shinichiro; Saito, Shohei; Dou, Chuandong; Matsuo, Kyohei; Kume, Keita; Yoshikawa, Hirofumi; Awaga, Kunio; Yamaguchi, Shigehiro","Boron-doped nanographene: Lewis acidity, redox properties, and battery electrode performance","Chem. Sci.","2016","7","1","219","","10.1039/C5SC02246K","","","1.54187","CuKα","","0.0777","0.0555","","","0.142","0.1574","","","","","","1.063","","","","has coordinates,has disorder","301778","2025-08-18","15:17:09",""
"1534271","6.514","","6.514","","6.809","","90","","90","","90","","288.921","","","","","","","","","","","","","2","P 4 c c","P 4 -2c","103","","","","- Ta Te4 -","- Ta Te4 -","- Ta2 Te8 -","2","0.25","","Bjerkelund, E.; Kjekshus, A.","On the crystal structure of Ta Te4","Journal of the Less-Common Metals","1964","7","","231","234","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534349","11.113","0.003","35.197","0.009","9.482","0.003","90","","102.084","0.007","90","","3626.6","1.8","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,2,3-triol","(3R,4S,5S)-4-benzyloxy-2,2-dimethyl-5-tris(trimethylsilyl)siloxy-6-phenylhex-1-en-3-ol","","- C30 H54 O3 Si4 -","- C30 H54 O3 Si4 -","- C120 H216 O12 Si16 -","4","1","","Gati, Wafa; Yamamoto, Hisashi","A highly diastereoselective “super silyl” governed aldol reaction: synthesis of α,β-dioxyaldehydes and 1,2,3-triols","Chem. Sci.","2016","7","1","394","","10.1039/C5SC03307A","","","0.71075","MoKα","","","0.0847","","","","0.2172","","","","","","0.961","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1534350","16.614","0.019","18.221","0.019","14.051","0.016","90","","105.69","0.02","90","","4095","8","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bissilyloxy aldehyde","(2R,3R)-2,3-bis(tris(trimethylsilyl)siloxy)-hexanal","","- C24 H64 O3 Si8 -","- C24 H64 O3 Si8 -","- C96 H256 O12 Si32 -","4","1","","Gati, Wafa; Yamamoto, Hisashi","A highly diastereoselective “super silyl” governed aldol reaction: synthesis of α,β-dioxyaldehydes and 1,2,3-triols","Chem. Sci.","2016","7","1","394","","10.1039/C5SC03307A","","","0.71075","MoKα","","","0.2228","","","","0.531","","","","","","1.285","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1534393","11.1928","0.0019","21.893","0.004","32.961","0.006","90","","92.044","0.003","90","","8072","2","173.15","","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C86 H74 Cl4 F12 N6 O5 P2 -","- C86 H74 Cl4 F12 N6 O5 P2 -","- C344 H296 Cl16 F48 N24 O20 P8 -","4","1","","Wang, Han-Xiao; Meng, Zheng; Xiang, Jun-Feng; Xia, Yu-Xiang; Sun, Yihua; Hu, Shu-Zhen; Chen, Hui; Yao, Jiannian; Chen, Chuan-Feng","Guest-dependent directional complexation based on triptycene derived oxacalixarene: formation of oriented rotaxanes","Chem. Sci.","2016","7","1","469","","10.1039/C5SC03511B","","","0.71073","MoKα","","0.1526","0.1285","","","0.302","0.3181","","","","","","1.192","","","","has coordinates,has disorder","301778","2025-08-18","15:17:10",""
"1534394","11.354","0.002","17.925","0.004","30.835","0.006","103.44","0.03","93.42","0.03","103.76","0.03","5884","2","173.15","","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C106 H97 Cl21 F12 N6 O6 P2 -","- C106 H97 Cl21 F12 N6 O6 P2 -","- C212 H194 Cl42 F24 N12 O12 P4 -","2","1","","Wang, Han-Xiao; Meng, Zheng; Xiang, Jun-Feng; Xia, Yu-Xiang; Sun, Yihua; Hu, Shu-Zhen; Chen, Hui; Yao, Jiannian; Chen, Chuan-Feng","Guest-dependent directional complexation based on triptycene derived oxacalixarene: formation of oriented rotaxanes","Chem. Sci.","2016","7","1","469","","10.1039/C5SC03511B","","","0.71073","MoKα","","0.1317","0.1055","","","0.2671","0.2908","","","","","","1.124","","","","has coordinates,has disorder","301778","2025-08-18","15:17:10",""
"1534395","33.379","0.005","33.379","0.005","40.257","0.008","90","","90","","90","","44853","13","173.15","","173.15","","","","","","","","","6","I 41/a","-I 4ad","88","","","","- C99 H88 F6 N5 O7 P -","- C99 H88 F6 N5 O7 P -","- C1584 H1408 F96 N80 O112 P16 -","16","","","Wang, Han-Xiao; Meng, Zheng; Xiang, Jun-Feng; Xia, Yu-Xiang; Sun, Yihua; Hu, Shu-Zhen; Chen, Hui; Yao, Jiannian; Chen, Chuan-Feng","Guest-dependent directional complexation based on triptycene derived oxacalixarene: formation of oriented rotaxanes","Chem. Sci.","2016","7","1","469","","10.1039/C5SC03511B","","","0.71073","MoKα","","0.1898","0.1781","","","0.483","0.4905","","","","","","1.94","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1534396","14.0049","0.0002","23.6564","0.0003","26.0431","0.0004","71.035","0.001","82.975","0.001","82.271","0.001","8057.2","0.2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C193 H178 Cl2 N8 O36 -","- C193 H178 Cl2 N8 O36 -","- C386 H356 Cl4 N16 O72 -","2","1","","Jarolímová, Zdeňka; Vishe, Mahesh; Lacour, Jérôme; Bakker, Eric","Potassium ion-selective fluorescent and pH independent nanosensors based on functionalized polyether macrocycles","Chem. Sci.","2016","7","1","525","","10.1039/C5SC03301B","","","1.54184","CuKα","","0.0691","0.0533","","","0.1522","0.1677","","","","","","0.996","","","","has coordinates","175919","2020-10-21","18:00:00",""
"1534397","13.8888","0.001","13.8888","0.001","25.754","0.004","90","","90","","120","","4302.3","0.8","296","2","296","2","","","","","","","","5","P 65","P 65","170","","","","- C30 H25 Cl3 N2 S2 -","- C30 H25 Cl3 N2 S2 -","- C180 H150 Cl18 N12 S12 -","6","1","","Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke","2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior","Chem. Sci.","2016","7","1","451","","10.1039/C5SC03201F","","","0.71073","MoKα","","0.1269","0.0631","","","0.1294","0.1637","","","","","","1.032","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1534398","22.178","0.006","7.454","0.002","18.052","0.005","90","","104.184","0.005","90","","2893.3","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 N2 O2 S2 -","- C31 H32 N2 O2 S2 -","- C124 H128 N8 O8 S8 -","4","1","","Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke","2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior","Chem. Sci.","2016","7","1","451","","10.1039/C5SC03201F","","","0.71073","MoKα","","0.1235","0.0554","","","0.1208","0.1449","","","","","","1.055","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1534399","20.1561","0.0015","9.0577","0.0007","17.1173","0.0013","90","","93.287","0.001","90","","3119.9","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H31 F3 N2 O4 S2 -","- C32 H31 F3 N2 O4 S2 -","- C128 H124 F12 N8 O16 S8 -","4","1","","Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke","2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior","Chem. Sci.","2016","7","1","451","","10.1039/C5SC03201F","","","0.71073","MoKα","","0.0587","0.0467","","","0.1601","0.1742","","","","","","1.021","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1534400","18.22","0.005","12.964","0.004","24.265","0.007","90","","90","","90","","5731","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H62 N6 O2 S4 -","- C64 H62 N6 O2 S4 -","- C256 H248 N24 O8 S16 -","4","0.5","","Chen, Jun-Feng; Gong, Dan-Ping; Wen, Jing; Ma, Haibo; Cao, Deng-Ke","2-(Anthracenyl)-4,5-bis(2,5-dimethyl(3-thienyl))-1H-imidazole: regulatable stacking structures, reversible grinding- and heating-induced emission switching, and solid-state photodimerization behavior","Chem. Sci.","2016","7","1","451","","10.1039/C5SC03201F","","","0.71073","MoKα","","0.1672","0.0698","","","0.147","0.1789","","","","","","1.032","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1534401","10.036","0.002","14.855","0.003","18.895","0.004","73.62","0.03","76.36","0.03","87.09","0.03","2626","1.1","173.15","","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C38 H57 Cl F19 N7 O5 P3 Ru -","- C38 H57 Cl F19 N7 O5 P3 Ru -","- C76 H114 Cl2 F38 N14 O10 P6 Ru2 -","2","1","","Du, Jun; Zhang, Erlong; Zhao, Yao; Zheng, Wei; Zhang, Yang; Lin, Yu; Wang, Zhaoying; Luo, Qun; Wu, Kui; Wang, Fuyi","Discovery of a dual-targeting organometallic ruthenium complex with high activity inducing early stage apoptosis of cancer cells.","Metallomics : integrated biometal science","2015","7","12","1573","1583","10.1039/c5mt00122f","","","0.71073","MoKα","","0.0986","0.084","","","0.1707","0.1833","","","","","","1.12","","","","has coordinates,has disorder","301778","2025-08-18","15:17:10",""
"1534937","9.0065","","9.0574","","9.3057","","90","","116.88","","90","","677.098","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Pb3 Fe2 (P O4)4","","- Fe2 O16 P4 Pb3 -","- Fe2 O16 P4 Pb3 -","- Fe4 O32 P8 Pb6 -","2","0.5","","Malakho, A.P.; Morozov, V.A.; Lazoryak, B.I.; Pokholok, K.V.; van Tendeloo, G.","Layered ordering of vacancies of lead iron phosphate Pb3 Fe2 (P O4)4","Solid State Sciences","2005","7","","397","404","","","","","","","","","","","","","","","","","","","","","","has coordinates","162017","2020-10-21","18:00:00",""
"1535031","3.959","","16.413","","11.2362","","90","","90","","90","","730.118","","","","","","","","","","","","","3","P m n 21","P 2ac -2","31","","","","- Ce2 Fe1.82 S5 -","- Ce2 Fe1.8235 S5 -","- Ce8 Fe7.294 S20 -","4","1","","Harms, W.; Mills, A.M.; Wagner, F.E.; Soehnel, T.; Laubschat, C.; Geibel, C.; Hossain, Z.; Ruck, M.","The nonstoichiometric ternary cerium iron sulfide Ce2 Fe1.82 S5","Solid State Sciences","2005","7","","59","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535040","13.86882","","9.93488","","10.02158","","90","","90","","90","","1380.82","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","Y2 (Mo O4)3","","- Mo3 O12 Y2 -","- Mo3 O12 Y2 -","- Mo12 O48 Y8 -","4","0.5","","Marinkovic, B.A.; Jardim, P.M.; Rizzo, F.; de Avillez, R.R.","Crystal structure and negative thermal expansion of metastable Y2 Mo3 O12","Solid State Sciences","2005","7","","1377","1383","","","","","","","","","","","","","","","","","","","","","","has coordinates","162167","2020-10-21","18:00:00",""
"1535059","5.2344","","6.6739","","8.9688","","90","","95.276","","90","","311.987","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Mn3 (P O4)2","","- Mn3 O8 P2 -","- Mn3 O8 P2 -","- Mn6 O16 P4 -","2","0.5","","Massa, W.; Yakubovich, O.V.; Dimitrova, O.V.","A Novel Modification of Manganese Orthophosphate Mn3 (P O4)2","Solid State Sciences","2005","7","","950","956","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1535061","6.3719","","9.8524","","14.358","","90","","90","","90","","901.374","","","","","","","","","","","","","5","P c m n","-P 2n 2ac","62","","Cu3 Bi (Te O3)2 O2 Cl","","- Bi Cl Cu3 O8 Te2 -","- Bi Cl Cu3 O8 Te2 -","- Bi4 Cl4 Cu12 O32 Te8 -","4","0.5","","Becker, R.; Mats, J.","Crystal structure of Cu3 Bi (Te O3)2 O2 Cl: a Kagome lattice type compound","Solid State Sciences","2005","7","","375","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535412","14","","10.663","","7.17","","90","","90","","90","","1070.35","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","K2 Ir Br5 C O","","- C Br5 Ir K2 O -","- C Br5 Ir K2 O -","- C4 Br20 Ir4 K8 O4 -","4","0.5","","Bonamico, M.; Duranti, D.; Vaciago, A.; Zambonelli, L.","Struttura cristallina del pentabromocarboniliridato(III) di potassio","Ricerca Scientifica, Parte 2: Rendiconti, Sezione A: Abiologica","1964","7","","613","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535447","6.14","","6.14","","6.14","","90","","90","","90","","231.476","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Cu I -","- Cu I -","- Cu4 I4 -","4","0.0416667","","Miyake, S.; Takenaka, T.; Hoshino, S.","On the phase transition in cuprous iodide","Journal of the Physical Society of Japan","1952","7","","19","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535540","3.16","","3.16","","18.32999","","90","","90","","120","","158.514","","","","","","","","","","","","","2","R 3 m :H","R 3 -2""","160","","","","- Mo S2 -","- Mo S2 -","- Mo3 S6 -","3","0.166667","","Traill, R.J.","A rhombohedral polytype of molybdenite","Canadian Mineralogist","1962","7","","524","526","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535570","32.3219","","4.1715","","17.57039","","90","","112.69","","90","","2185.68","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Cs0.65 Pb3.8 Bi11.2 Se21","","- Bi11.2 Cs0.65 Pb3.8 Se21 -","- Bi11.2001 Cs0.646 Pb3.7999 Se21 -","- Bi22.4002 Cs1.292 Pb7.5998 Se42 -","2","0.25","","Mrotzek, A.; Chung, D.-Y.; Ghelani, N.; Kanatzidis, M.G.; Hogan, T.","Structure and thermoelectric properties of the new quaternary bismuth selenides A1-x M4-x Bi11+x Se21 (A= K, Rb, Cs; M= Sn, Pb) - members of the grand homologous series Km (M6 Se8)m (M5+n Se9+n)","Chemistry - A European Journal","2001","7","","1915","1926","","","","","","","","","","","","","","","","","","","","","","has coordinates","162987","2020-10-21","18:00:00",""
"1535573","31.883","","4.1863","","17.387","","90","","112.098","","90","","2150.2","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","K1.46 Pb1.57 Bi12.71 Se21","","- Bi12.71 K1.46 Pb1.57 Se21 -","- Bi12.7136 K1.46 Pb1.5664 Se21 -","- Bi25.4272 K2.92 Pb3.1328 Se42 -","2","0.25","","Mrotzek, A.; Chung, D.-Y.; Hogan, T.; Kanatzidis, M.G.; Ghelani, N.","Structure and thermoelectric properties of the new quaternary bismuth selenides A1-x M4-x Bi11+x Se21 (A = K, Rb, Cs; M = Sn, Pb) - members of the grand homologous series Km (M6 Se8)m (M5+n Se9+n)","Chemistry - A European Journal","2001","7","","1915","1926","","","","","","","","","","","","","","","","","","","","","","has coordinates","162990","2020-10-21","18:00:00",""
"1535576","31.91","","4.1462","","17.311","","90","","112.064","","90","","2122.6","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","K0.54 Sn3.54 Bi11.46 Se21","","- Bi11.46 K0.54 Se21 Sn3.54 -","- Bi11.514 K0.54 Se21 Sn3.58 -","- Bi23.028 K1.08 Se42 Sn7.16 -","2","0.25","","Mrotzek, A.; Chung, D.-Y.; Kanatzidis, M.G.; Hogan, T.; Ghelani, N.","Structure and thermoelectric properties of the new quaternary bismuth selenides A1-x M4-x Bi11+x Se21 (A = K, Rb, Cs; M = Sn, Pb) - members of the grand homologous Series Km (M6 Se8)m (M5+n Se9+n)","Chemistry - A European Journal","2001","7","","1915","1926","","","","","","","","","","","","","","","","","","","","","","has coordinates","162993","2020-10-21","18:00:00",""
"1535580","31.991","","4.1937","","17.481","","90","","112.519","","90","","2166.44","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Rb0.69 Pb2.48 Bi12.52 Se21","","- Bi12.52 Pb2.48 Rb0.69 Se21 -","- Bi12.5224 Pb2.4776 Rb0.688 Se21 -","- Bi25.0448 Pb4.9552 Rb1.376 Se42 -","2","0.25","","Mrotzek, A.; Hogan, T.; Ghelani, N.; Chung, D.-Y.; Kanatzidis, M.G.","Structure and thermoelectric properties of the new quaternary bismuth selenides A1-x M4-x Bi11+x Se21 (A = K, Rb, Cs; M = Sn, Pb) - members of the grand homologous series Km (M6 Se8)m (M5+n Se9+n)","Chemistry - A European Journal","2001","7","","1915","1926","","","","","","","","","","","","","","","","","","","","","","has coordinates","162997","2020-10-21","18:00:00",""
"1535739","4.256","","24.993","","4.258","","90","","90","","90","","452.924","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Nd1 Se1 Te2","","- Nd Se Te2 -","- Nd Se Te2 -","- Nd4 Se4 Te8 -","4","0.25","","Tsinde, B.P.F.; Doert, T.","The Ternary Rare Earth Polychalcogenides LaSeTe2, CeSeTe2, PrSeTe2, NdSeTe2, and SmSeTe2: Syntheses, Crystal Structures, Electronic Properties, and Charge-Density-Wave-Transitions","Solid State Sciences","2005","7","","573","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535746","4.257","","25.176","","4.259","","90","","90.04","","90","","456.455","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ce1 Se1 Te2","","- Ce1.0257 Se1.0257 Te2 -","- Ce1.0257 Se1.0257 Te2 -","- Ce4.1028 Se4.1028 Te8 -","4","0.5","","Tsinde, B.P.F.; Doert, T.","The Ternary Rare Earth Polychalcogenides LaSeTe2, CeSeTe2, PrSeTe2, NdSeTe2, and SmSeTe2: Syntheses, Crystal Structures, Electronic Properties, and Charge-Density-Wave-Transitions","Solid State Sciences","2005","7","","573","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","163205","2020-10-21","18:00:00",""
"1535750","4.261","","25.23","","4.262","","90","","90","","90","","458.186","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ce Se Te2 -","- Ce0.9989 Se0.9989 Te2 -","- Ce3.9956 Se3.9956 Te8 -","4","0.25","","Tsinde, B.P.F.; Doert, T.","The Ternary Rare Earth Polychalcogenides LaSeTe2, CeSeTe2, PrSeTe2, NdSeTe2, and SmSeTe2: Syntheses, Crystal Structures, Electronic Properties, and Charge-Density-Wave-Transitions","Solid State Sciences","2005","7","","573","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535754","4.262","","25.034","","4.272","","90","","90","","90","","455.801","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Pr1 Se1 Te2","","- Pr Se Te2 -","- Pr Se Te1.994 -","- Pr4 Se4 Te7.976 -","4","0.25","","Tsinde, B.P.F.; Doert, T.","The Ternary Rare Earth Polychalcogenides LaSeTe2, CeSeTe2, PrSeTe2, NdSeTe2, and SmSeTe2: Syntheses, Crystal Structures, Electronic Properties, and Charge-Density-Wave-Transitions","Solid State Sciences","2005","7","","573","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535833","8.36518","","6.46898","","7.21266","","90","","90","","90","","390.307","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","K (N (C N)2)","","- C2 K N3 -","- C2 K N3 -","- C8 K4 N12 -","4","0.5","","Irran, E.; Juergens, B.; Schnick, W.","Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry","Chemistry - A European Journal","2001","7","","5372","5381","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1535837","7.26924","","15.96335","","3.87037","","90","","111.878","","90","","416.777","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","K (N (C N)2)","","- C2 K N3 -","- C2 K N3 -","- C8 K4 N12 -","4","1","","Irran, E.; Juergens, B.; Schnick, W.","Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry","Chemistry - A European Journal","2001","7","","5372","5381","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1535841","8.55404","","3.87802","","12.5273","","90","","90","","90","","415.565","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","K (N (C N)2)","","- C2 K N3 -","- C2 K N3 -","- C8 K4 N12 -","4","0.5","","Irran, E.; Juergens, B.; Schnick, W.","Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry","Chemistry - A European Journal","2001","7","","5372","5381","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1535845","3.73823","","11.9248","","25.0044","","90","","101.406","","90","","1092.62","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","K3 ((C3 N6) (C N)3)","","- C6 K3 N9 -","- C6 K3 N9 -","- C24 K12 N36 -","4","1","","Irran, E.; Juergens, B.; Schnick, W.","Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry","Chemistry - A European Journal","2001","7","","5372","5381","","","","","","","","","","","","","","","","","","","","","","has coordinates","163332","2020-10-21","18:00:00",""
"1535848","8.56092","","6.61711","","7.65067","","90","","90","","90","","433.399","","","","","","","","","","","","","3","P b c m","-P 2c 2b","57","","Rb (N (C N)2)","","- C2 N3 Rb -","- C2 N3 Rb -","- C8 N12 Rb4 -","4","0.5","","Irran, E.; Juergens, B.; Schnick, W.","Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry","Chemistry - A European Journal","2001","7","","5372","5381","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1535851","13.8156","","10.00018","","14.43275","","90","","116.896","","90","","1778.31","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Rb (N (C N)2)","","- C2 N3 Rb -","- C2 N3 Rb -","- C32 N48 Rb16 -","16","2","","Irran, E.; Juergens, B.; Schnick, W.","Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry","Chemistry - A European Journal","2001","7","","5372","5381","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535855","3.89927","","12.2606","","25.4745","","90","","98.741","","90","","1203.72","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Rb3 (C6 N9)","","- C6 N9 Rb3 -","- C6 N9 Rb3 -","- C24 N36 Rb12 -","4","1","","Irran, E.; Juergens, B.; Schnick, W.","Trimerization of alkali dicyanamides M (N (C N)2) and formation of tricyanomelaminates M3 (C6 N9) (M= K, Rb) in the melt: Crystal structure determination of three polymorphs of K (N (C N)2), two of Rb (N (C N)2), and one of K3 (C6 N9) and Rb3 (C6 N9) from X-ray powder diffractometry","Chemistry - A European Journal","2001","7","","5372","5381","","","","","","","","","","","","","","","","","","","","","","has coordinates","163344","2020-10-21","18:00:00",""
"1535946","15.708","","15.708","","15.708","","90","","90","","90","","3875.81","","","","","","","","","","","","","8","F m -3 m","-F 4 2 3","225","","Cs3 Mn (Nb6 Cl9 O3 (C N)6) (H2 O)0.86","","- C6 H1.72 Cl9 Cs3 Mn N6 Nb6 O3.86 -","- C6 Cl8.76 Cs3.1376 Mn N6 Nb6 O3.86 -","- C24 Cl35.04 Cs12.5504 Mn4 N24 Nb24 O15.44 -","4","0.0208333","","Naumov, N.G.; Cordier, S.; Perrin, C.","An extended open framework based on disordered [Nb6 Cl9 O3 (C N)6]5- cluster units: synthesis and crystal structure of Cs3 Mn [Nb6 Cl9 O3 (C N)6]. 0.6H2 O","Solid State Sciences","2005","7","","1517","1521","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536074","13.9244","","13.9244","","14.866","","90","","90","","120","","2496.19","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","V8 Ga38.9 Zn2.1","","- Ga38.9 V8 Zn2.1 -","- Ga38.9 V8 Zn2.1 -","- Ga116.7 V24 Zn6.3 -","3","0.166667","","Viklund, P.; Haeussermann, U.; Hull, S.; Svensson, C.; Berastegui, P.; Simak, S.I.","The compounds V8 Ga36.9 Zn4.1, Cr8 Ga29.8 Zn11.2 and Mn8 Ga27.4 Zn13.6: A remarkable segregation of Zn and Ga in an intermetallic framework","Chemistry - A European Journal","2001","7","","5143","5152","","","","","","","","","","","","","","","","","","","","","","has coordinates","163659","2020-10-21","18:00:00",""
"1536078","13.9351","","13.9351","","14.8828","","90","","90","","120","","2502.85","","","","","","","","","","","","","2","R -3 :H","-R 3","148","","","","- Ga41 V8 -","- Ga41 V8 -","- Ga123 V24 -","3","0.166667","","Viklund, P.; Svensson, C.; Haeussermann, U.; Simak, S.I.; Hull, S.; Berastegui, P.","The compounds V8 Ga36.9 Zn4.1, Cr8 Ga29.8 Zn11.2 and Mn8 Ga27.4 Zn13.6: A remarkable segregation of Zn and Ga in an intermetallic framework","Chemistry - A European Journal","2001","7","","5143","5152","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536081","13.7153","","13.7153","","14.6872","","90","","90","","120","","2392.66","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Cr8 Ga29.8 Zn11.2 -","- Cr8 Ga29.69 Zn11.31 -","- Cr24 Ga89.07 Zn33.93 -","3","0.166667","","Viklund, P.; Simak, S.I.; Svensson, C.; Hull, S.; Berastegui, P.; Haeussermann, U.","The compounds V8 Ga36.9 Zn4.1, Cr8 Ga29.8 Zn11.2 and Mn8 Ga27.4 Zn13.6: A remarkable segregation of Zn and Ga in an intermetallic framework","Chemistry - A European Journal","2001","7","","5143","5152","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536110","5.6016","","12.258","","5.6016","","90","","106.08","","90","","369.582","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Sc3 Rh C4","","- C4 Rh Sc3 -","- C4 Rh Sc3 -","- C16 Rh4 Sc12 -","4","0.5","","Vogt, C.; Hoffmann, R.D.; Poettgen, R.","The Superstructure of Sc3 Rh C4 and Sc3 Ir C4","Solid State Sciences","2005","7","","1003","1009","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536114","5.5996","","12.241","","5.5994","","90","","105.35","","90","","370.118","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Sc3 Ir C4","","- C4 Ir Sc3 -","- C4 Ir Sc3 -","- C16 Ir4 Sc12 -","4","0.5","","Vogt, C.; Hoffmann, R.D.; Poettgen, R.","The Superstructure of Sc3 Rh C4 and Sc3 Ir C4","Solid State Sciences","2005","7","","1003","1009","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536129","5.587","","6.062","","6.91","","90","","94.5","","90","","233.309","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Cu4 (N O3)2 (O H)6","","- Cu4 H6 N2 O12 -","- Cu4 N2 O12 -","- Cu4 N2 O12 -","1","0.25","","Nowacki, W.; Scheidegger, R.","Die Kristallstruktur des monoklinen basischen Kupfernitrats","Experientia","1951","7","","454","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536139","10.845","","10.25","","7.9624","","90","","115.18","","90","","801.003","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Na Ba (P O2 N H)3","","- Ba H3 N3 Na O6 P3 -","- Ba H3 N3 Na O6 P3 -","- Ba4 H12 N12 Na4 O24 P12 -","4","0.5","","Correll, S.; Sedlmaier, S.; Schnick, W.","Synthesis, crystal structures and properties of the trimetaphosphimates Na Ba (P O2 N H)3, K Sr (P O2 N H)3 4(H2 O) and N H4 Sr (P O2 N H)3 4(H2 O)","Solid State Sciences","2005","7","","1261","1271","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1536387","4.482","","16.895","","7.221","","90","","90","","90","","546.799","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","La Ni In4","","- In4 La Ni -","- In4 La Ni -","- In16 La4 Ni4 -","4","0.25","","Kal'ichak, Ya.M.; Zaremba, V.I.; Galadzhun, Ya.V.; Miliyanchuk, Kh.Yu.; Hoffmann, R.D.; Poettgen, R.","New [Ni7] Cluster in LaNi7In6 and Distorted bcc Indium Cubes in LaNiIn4","Chemistry - A European Journal","2001","7","","5343","5349","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536390","8.066","","9.248","","12.465","","90","","90","","90","","929.819","","","","","","","","","","","","","3","I b a m","-I 2 2c","72","","La Ni7.36 In5.64","","- In5.64 La Ni7.36 -","- In5.64 La Ni7.36 -","- In22.56 La4 Ni29.44 -","4","0.25","","Kal'ichak, Ya.M.; Zaremba, V.I.; Galadzhun, Ya.V.; Miliyanchuk, Kh.Yu.; Hoffmann, R.D.; Poettgen, R.","New [Ni7] Cluster in LaNi7In6 and Distorted bcc Indium Cubes in LaNiIn4","Chemistry - A European Journal","2001","7","","5343","5349","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536394","9.7575","","6.75649","","7.96884","","90","","115.384","","90","","474.637","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","(N H4) (Mn2 Mo2 O8 (O H) (H2 O))","","- H7 Mn2 Mo2 N O10 -","- Mn2 Mo2 N O10 -","- Mn4 Mo4 N2 O20 -","2","0.25","","Palacio, L.A.; Echavarria, A.; Hoyos, D.A.; Saldarriaga, C.","Synthesis, characterization and structural data of an ammonium manganomolybdate type Sigma(X)","Solid State Sciences","2005","7","","1043","1048","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536501","15.0402","","8.8446","","8.8017","","90","","101.926","","90","","1145.57","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ba4 Si3 Br2","","- Ba4 Br2 Si3 -","- Ba4 Br2 Si3 -","- Ba16 Br8 Si12 -","4","1","","Wengert, S.; Willems, J.B.; Nesper, R.","Ba4 Si3 Br2: a double salt of barium bromide and barium silicide containing a novel cyclotrisilicide unit","Chemistry - A European Journal","2001","7","","3209","3213","","","","","","","","","","","","","","","","","","","","","","has coordinates","164230","2020-10-21","18:00:00",""
"1536677","14.5408","","12.6577","","17.57","","90","","94.791","","90","","3222.51","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K4.04 Ba1.96 (Nb2 S11)2","","- Ba1.96 K4.04 Nb4 S22 -","- Ba1.957 K4.043 Nb4 S22 -","- Ba7.828 K16.172 Nb16 S88 -","4","1","","Wu, Y.; Naether, C.; Lehnert, N.; Bensch, W.","Synthesis, crystal structure and properties of K4 Ba2 (Nb2 S11)2","Solid State Sciences","2005","7","","1062","1069","","","","","","","","","","","","","","","","","","","","","","has coordinates","164490","2020-10-21","18:00:00",""
"1536868","16.203","0.003","22.757","0.005","14.315","0.003","90","","104.77","0.03","90","","5104","1.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H36 Cl3 Dy N4 O10 Zn2 -","- C44 H36 Cl3 Dy N4 O10 Zn2 -","- C176 H144 Cl12 Dy4 N16 O40 Zn8 -","4","0.5","","Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song","High symmetry or low symmetry, that is the question ‒ high performance Dy(iii) single-ion magnets by electrostatic potential design","Chem. Sci.","2016","7","1","684","","10.1039/C5SC02986D","","","0.71073","MoKα","","0.0528","0.0402","","","0.0922","0.0976","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1536869","10.6898","0.0004","15.3759","0.0006","16.5328","0.0004","92.178","0.003","108.24","0.003","99.096","0.003","2537.31","0.16","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H40 Br3 Cl0 Dy N4 O12 Zn2 -","- C45 H40 Br3 Dy N4 O12 Zn2 -","- C90 H80 Br6 Dy2 N8 O24 Zn4 -","2","1","","Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song","High symmetry or low symmetry, that is the question ‒ high performance Dy(iii) single-ion magnets by electrostatic potential design","Chem. Sci.","2016","7","1","684","","10.1039/C5SC02986D","","","0.71073","MoKα","","0.0867","0.0684","","","0.1779","0.1924","","","","","","1.039","","","","has coordinates","175915","2020-10-21","18:00:00",""
"1536870","12.6367","0.0006","16.8613","0.0008","23.4058","0.0012","90","","104.117","0.005","90","","4836.5","0.4","180","0.1","180","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C88 H76 Br8 Dy2 N8 O18 Zn5 -","- C88 H76 Br8 Dy2 N8 O18 Zn5 -","- C176 H152 Br16 Dy4 N16 O36 Zn10 -","2","0.5","","Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song","High symmetry or low symmetry, that is the question – high performance Dy(iii) single-ion magnets by electrostatic potential design","Chem. Sci.","2016","7","1","684","","10.1039/C5SC02986D","","","0.7107","MoKα","","0.0937","0.0517","","","0.1127","0.1346","","","","","","1.06","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1536871","16.2823","0.0006","23.8976","0.001","14.0704","0.0006","90","","104.843","0.004","90","","5292.2","0.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H48 Cl3 Dy N4 O8 Zn2 -","- C44 H48 Cl3 Dy N4 O8 Zn2 -","- C176 H192 Cl12 Dy4 N16 O32 Zn8 -","4","0.5","","Sun, Wen-Bin; Yan, Peng-Fei; Jiang, Shang-Da; Wang, Bing-Wu; Zhang, Yi-Quan; Li, Hong-Feng; Chen, Peng; Wang, Zhe-Ming; Gao, Song","High symmetry or low symmetry, that is the question ‒ high performance Dy(iii) single-ion magnets by electrostatic potential design","Chem. Sci.","2016","7","1","684","","10.1039/C5SC02986D","","","0.71073","MoKα","","0.0461","0.0366","","","0.0893","0.0947","","","","","","1.081","","","","has coordinates","175915","2020-10-21","18:00:00",""
"1536875","10.881","0.0016","19.554","0.003","29.442","0.004","90","","90","","90","","6264.3","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","3","","","- C66 H90 N2 O8 Zn2 -","- C66 H90 N2 O8 Zn2 -","- C264 H360 N8 O32 Zn8 -","4","0.5","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal–organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.1766","0.0825","","","0.1356","0.1631","","","","","","1.056","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1536876","10.671","0.005","19.665","0.009","17.723","0.008","90","","97.137","0.007","90","","3690","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 N2 O4 Zn -","- C38 H50 N2 O4 Zn -","- C152 H200 N8 O16 Zn4 -","4","1","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal–organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.2969","0.1078","","","0.1372","0.1933","","","","","","0.997","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1536877","12.2437","0.0008","18.3841","0.0011","30.3846","0.0019","90","","90","","90","","6839.3","0.7","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","5","","","- C32 H46 N2 O4 Zn -","- C32 H46 N2 O4 Zn -","- C256 H368 N16 O32 Zn8 -","8","1","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal–organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.1263","0.0486","","","0.0931","0.1202","","","","","","0.992","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1536878","10.6541","0.0009","19.7432","0.0017","17.8899","0.0015","90","","99.193","0.001","90","","3714.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6","","","- C36 H52 N4 O4 Zn -","- C36 H52 N4 O4 Zn -","- C144 H208 N16 O16 Zn4 -","4","1","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal–organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.1079","0.0582","","","0.1371","0.163","","","","","","1.015","","","","has coordinates,has disorder","301778","2025-08-18","15:17:10",""
"1536879","10.404","0.003","32.256","0.008","13.672","0.003","90","","111.664","0.004","90","","4264.1","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H56 N2 O4 Zn -","- C47 H56 N2 O4 Zn -","- C188 H224 N8 O16 Zn4 -","4","1","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal‒organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.2885","0.0812","","","0.1753","0.2965","","","","","","0.818","","","","has coordinates,has disorder","175918","2020-10-21","18:00:00",""
"1536880","12.617","0.003","18.443","0.004","15.543","0.003","90","","102.81","0.03","90","","3526.8","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","9","","","- C76 H96 N2 O8 Zn2 -","- C76 H96 N2 O8 Zn2 -","- C152 H192 N4 O16 Zn4 -","2","0.5","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal–organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.2124","0.1127","","","0.301","0.3719","","","","","","1.062","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1536881","7.6947","0.0009","13.1945","0.0015","27.271","0.003","90","","95.507","0.002","90","","2756","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","10","","","- C31 H36 N O2 Zn0.5 -","- C31 H36 N O2 Zn0.5 -","- C124 H144 N4 O8 Zn2 -","4","1","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal‒organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.1315","0.0583","","","0.1168","0.1434","","","","","","1.001","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536882","15.4724","0.0016","15.4781","0.0016","28.908","0.003","78.73","0.004","88.358","0.004","60.122","0.003","5867.8","1.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","11","","","- C127.8 H160.2 N3 O12 Zn3 -","- C118 H148.648 N3 O12 Zn3 -","- C236 H297.296 N6 O24 Zn6 -","2","1","","Glavinović, Martin; Qi, Feng; Katsenis, Athanassios D.; Friščić, Tomislav; Lumb, Jean-Philip","Redox-promoted associative assembly of metal‒organic materials","Chem. Sci.","2016","7","1","707","","10.1039/C5SC02214B","","","0.71073","MoKα","","0.1811","0.1496","","","0.3209","0.3344","","","","","","1.216","","","","has coordinates,has disorder","175918","2020-10-21","18:00:00",""
"1536927","10.7254","","10.7254","","10.7254","","90","","90","","90","","1233.79","","","","","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","","","- Br8 P22 Sn16.8 Zn7.2 -","- Br8 P22 Sn16.776 Zn7.2 -","- Br8 P22 Sn16.776 Zn7.2 -","1","0.0208333","","Kovnir, K.A.; Shatruk, M.M.; Baenitz, M.; Presnyakov, I.A.; Dikarev, E.V.; Reshetova, L.N.; Baitinger, M.; Shevelkov, A.V.; Schnelle, W.; Grin', Yu.; Haarmann, F.","Novel compounds Sn20 Zn4 P22-nI8 (n = 1.2), Sn17 Zn7 P22 I8, and Sn17 Zn7 P22 Br8: Synthesis, properties, and special features of their clathrate-like crystal structures","Solid State Sciences","2005","7","","957","968","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1536931","10.8425","","10.8425","","10.8425","","90","","90","","90","","1274.64","","","","","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","Sn17.2 Zn6.8 I8 P22","","- I8 P22 Sn17.2 Zn6.8 -","- I8 P22 Sn17.184 Zn6.816 -","- I8 P22 Sn17.184 Zn6.816 -","1","0.0208333","","Kovnir, K.A.; Shatruk, M.M.; Baitinger, M.; Presnyakov, I.A.; Reshetova, L.N.; Dikarev, E.V.; Grin', Yu.; Haarmann, F.; Baenitz, M.; Schnelle, W.; Shevelkov, A.V.","Novel compounds Sn20 Zn4 P22-nI8 (n= 1.2), Sn17 Zn7 P22 I8, and Sn17 Zn7 P22 Br8: Synthesis, properties, and special features of their clathrate-like crystal structures","Solid State Sciences","2005","7","","957","968","","","","","","","","","","","","","","","","","","","","","","has coordinates","164832","2020-10-21","18:00:00",""
"1536934","10.881","","10.881","","10.881","","90","","90","","90","","1288.27","","","","","","","","","","","","","4","P m -3 n","-P 4n 2 3","223","","Sn20.03 Zn3.96 P20.83 I8","","- I8 P20.83 Sn20.03 Zn3.96 -","- I8 P20.8 Sn19.92 Zn4.08 -","- I8 P20.8 Sn19.92 Zn4.08 -","1","0.0208333","","Kovnir, K.A.; Shatruk, M.M.; Haarmann, F.; Presnyakov, I.A.; Reshetova, L.N.; Grin', Yu.; Baenitz, M.; Baitinger, M.; Dikarev, E.V.; Schnelle, W.; Shevelkov, A.V.","Novel compounds Sn20 Zn4 P22-nI8 (n = 1.2), Sn17 Zn7 P22 I8, and Sn17 Zn7 P22 Br8: Synthesis, properties, and special features of their clathrate-like crystal structures","Solid State Sciences","2005","7","","957","968","","","","","","","","","","","","","","","","","","","","","","has coordinates","164836","2020-10-21","18:00:00",""
"1536963","7.563","","7.563","","4.381","","90","","90","","90","","250.589","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","","","- Ce2 Ge2 In -","- Ce2 Ge2 In -","- Ce4 Ge4 In2 -","2","0.125","","Zaremba, V.I.; Nychyporuk, G. P.; Johrendt, D.; Rodewald, U.C.; Poettgen, R.","Structure and Chemical Bonding of Ce2 Ge2 In and Ce2 Pt2 In","Solid State Sciences","2005","7","","998","1002","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537084","7.553","","6.681","","20.271","","90","","93.02","","90","","1021.49","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","K2 Mg3 (P2 O7)2 (H2 O)10","","- H20 K2 Mg3 O24 P4 -","- H20 K2 Mg3 O24 P4 -","- H40 K4 Mg6 O48 P8 -","2","0.5","","Frank, A.; Norrestam, R.; Sjödin, A.","A new urolith in four cats and a dog: composition and crystal structure","JBIC Journal of Biological Inorganic Chemistry","2002","7","4-5","437","444","10.1007/s00775-001-0315-1","","","","","","","","","","","","","","","","","","","","","has coordinates","174884","2020-10-21","18:00:00",""
"1537360","3.35","","3.35","","5.86","","90","","90","","120","","56.953","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","Ta S2","","- S2 Ta -","- S2 Ta -","- S2 Ta -","1","0.0833333","","Haegg, G.; Schoenberg, N.","X-ray studies of sulfides of titanium, zirconium, niobium, and tantalum","Arkiv foer Kemi","1954","7","","371","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537570","6.2","","3.53","","11.26","","90","","91.73","","90","","246.324","","","","","","","","","","","","","2","I 1 2/m 1","-I 2y","12","","","","- Fe3 Se4 -","- Fe3 Se4 -","- Fe6 Se8 -","2","0.25","","Lambert-Andron, B.; Berodias, G.","Etude par diffraction neutronique de Fe3 Se4","Solid State Communications","1969","7","","623","629","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537923","4.069","","4.069","","4.069","","90","","90","","90","","67.369","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Np Pd3 -","- Np Pd3 -","- Np Pd3 -","1","0.0208333","","Erdmann, B.; Keller, C.","Actinide(lanthanide)-noble metal alloy phases, preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537925","4.135","","4.135","","4.135","","90","","90","","90","","70.701","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pd3 Pr -","- Pd3 Pr -","- Pd3 Pr -","1","0.0208333","","Erdmann, B.; Keller, C.","Actinide(lanthanide)-noble metal alloy phases, preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537927","4.101","","4.101","","4.101","","90","","90","","90","","68.971","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pd3 Sm -","- Pd3 Sm -","- Pd3 Sm -","1","0.0208333","","Erdmann, B.; Keller, C.","Actinide(lanthanide)-noble metal alloy phases, preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537929","4.074","","4.074","","4.074","","90","","90","","90","","67.618","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pd3 Tb -","- Pd3 Tb -","- Pd3 Tb -","1","0.0208333","","Erdmann, B.; Keller, C.","Actinide(lanthanide)-noble metal alloy phases, preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537931","4.044","","4.044","","4.044","","90","","90","","90","","66.135","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pd3 Tm -","- Pd3 Tm -","- Pd3 Tm -","1","0.0208333","","Erdmann, B.; Keller, C.","Actinide(lanthanide)-noble metal alloy phases, preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537933","4.04","","4.04","","4.04","","90","","90","","90","","65.939","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pd3 Yb -","- Pd3 Yb -","- Pd3 Yb -","1","0.0208333","","Erdmann, B.; Keller, C.","Actinide(lanthanide)-noble metal alloy phases, preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537935","7.66","","7.66","","7.66","","90","","90","","90","","449.455","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Pt2 Sm -","- Pt2 Sm -","- Pt16 Sm8 -","8","0.0416667","","Erdmann, B.; Keller, C.","Actinide(lanthanide)-noble metal alloy phases, preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537937","4.069","","4.069","","4.069","","90","","90","","90","","67.369","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Pt3 Y -","- Pt3 Y -","- Pt3 Y -","1","0.0208333","","Erdmann, B.; Keller, C.","Actinide(lanthanide)-noble metal alloy phases, preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537939","4.139","","4.139","","4.139","","90","","90","","90","","70.907","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Rh3 Th -","- Rh3 Th -","- Rh3 Th -","1","0.0208333","","Erdmann, B.; Keller, C.","Actinide(lanthanide)-noble metal alloy phases, preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537941","4.058","","4.058","","4.058","","90","","90","","90","","66.825","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ho Pd3 -","- Ho Pd3 -","- Ho Pd3 -","1","0.0208333","","Erdmann, B.; Keller, C.","Actinide(lanthanide)-noble metal alloy phases, preparation and properties","Journal of Solid State Chemistry","1973","7","","40","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538041","6.39","","6.39","","6.39","","30.18","","30.18","","30.18","","58.424","","","","","","","","","","","","","2","R -3 m :R","-P 3* 2","166","","Ta S2","","- S2 Ta -","- S2 Ta -","- S2 Ta -","1","0.0833333","","Haegg, G.","Tantalum sulfide","Arkiv foer Kemi","1954","7","","40","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538044","3.33","","3.33","","17.8","","90","","90","","120","","170.938","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Nb S2 -","- Nb S2 -","- Nb3 S6 -","3","0.0833333","","Haegg, G.; Schoenberg, N.","X-ray studies of sulfides of titanium, zirconium, niobium, and tantalum","Arkiv foer Kemi","1954","7","","371","380","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538144","9.72","","9.72","","9.72","","90","","90","","90","","918.33","","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Sc2 O3","","- O3 Sc2 -","- O3 Sc2 -","- O48 Sc32 -","16","0.333333","","Goldschmidt, V.M.","Geochemische Verteilungsgesetze der Elemente.","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk-Naturvidenskapelig Klasse","1925","7","","1","1","","","","","","","","","","","","","","","","","","","","","","has coordinates","166571","2020-10-21","18:00:00",""
"1538146","10.59","","10.59","","10.59","","90","","90","","90","","1187.65","","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Tl2 O3","","- O3 Tl2 -","- O3 Tl2 -","- O48 Tl32 -","16","0.333333","","Goldschmidt, V.M.","Geochemische Verteilungsgesetze der Elemente.","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk-Naturvidenskapelig Klasse","1925","7","","1","1","","","","","","","","","","","","","","","","","","","","","","has coordinates","166573","2020-10-21","18:00:00",""
"1538147","10.14","","10.14","","10.14","","90","","90","","90","","1042.59","","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","","","- In2 O3 -","- In2 O3 -","- In32 O48 -","16","0.333333","","Goldschmidt, V.M.","Geochemische Verteilungsgesetze der Elemente.","Skrifter utgitt av det Norske Videnskaps-Akademi i Oslo 1: Matematisk-Naturvidenskapelig Klasse","1925","7","","1","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538305","3.188","","3.188","","3.188","","90","","90","","90","","32.401","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Nb13 Ru7)0.1","","- Nb1.3 Ru0.7 -","- Nb1.3 Ru0.7 -","- Nb1.3 Ru0.7 -","1","0.0104167","","Hurley, G.F.; Brophy, J.H.","A constitution diagram for the niobium-ruthenium system above 1100 degree","Journal of the Less-Common Metals","1964","7","","267","277","","","","","","","","","","","","","","","","","","","","","","has coordinates","166755","2020-10-21","18:00:00",""
"1538306","2.762","","2.762","","4.432","","90","","90","","120","","29.28","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Nb3 Ru7)0.2","","- Nb0.6 Ru1.4 -","- Nb0.58 Ru1.42 -","- Nb0.58 Ru1.42 -","1","0.0416667","","Hurley, G.F.; Brophy, J.H.","A constitution diagram for the niobium-ruthenium system above 1100 degree","Journal of the Less-Common Metals","1964","7","","267","277","","","","","","","","","","","","","","","","","","","","","","has coordinates","166756","2020-10-21","18:00:00",""
"1538307","3.003","","3.003","","3.368","","90","","90","","90","","30.373","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Nb Ru -","- Nb Ru -","- Nb Ru -","1","0.03125","","Hurley, G.F.; Brophy, J.H.","A constitution diagram for the niobium-ruthenium system above 1100 degree","Journal of the Less-Common Metals","1964","7","","267","277","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538319","19.4","","3.62","","4.13","","90","","90","","90","","290.042","","","","","","","","","","","","","3","C m m 2","C 2 -2","35","","Mo V2 O8","","- Mo O8 V2 -","- Mo O8 V2 -","- Mo2 O16 V4 -","2","0.25","","Mahe-Pailleret, P.","Contribution a l'etude chimique et structurale des composes A B2 O8 rencontres dans les systemes Mo-V-O, U-V-O et U-Mo-O","Revue de Chimie Minerale","1970","7","","807","846","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538320","5.7","","11.78","","10.42","","90","","90","","90","","699.661","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","U V2 O8","","- O8 U V2 -","- O8 U V2 -","- O32 U4 V8 -","4","0.5","","Mahe-Pailleret, P.","Contribution a l'etude chimique et structurale des composes A B2 O8 rencontres dans les systemes Mo-V-O, U-V-O et Q-Mo-O","Revue de Chimie Minerale","1970","7","","807","846","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538321","20.08","","7.32","","4.11","","90","","90","","90","","604.111","","","","","","","","","","","","","3","P b a n :1","P 2 2 -1ab","50","","U Mo2 O8","","- Mo2 O8 U -","- Mo2 O8 U -","- Mo8 O32 U4 -","4","0.5","","Mahe-Pailleret, P.","Contribution a l'etude chimique et structurale des composes A B2 O8 rencontres dans les systemes Mo-V-O, U-V-O et U-Mo-O","Revue de Chimie Minerale","1970","7","","807","846","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538393","4.07","","4.07","","4.07","","89.65","","89.65","","89.65","","67.415","","","","","","","","","","","","","4","R 3 m :R","P 3* -2","160","","Pb (Zr0.58 Ti0.42) O3","","- O3 Pb Ti0.42 Zr0.58 -","- O3 Pb Ti0.42 Zr0.58 -","- O3 Pb Ti0.42 Zr0.58 -","1","0.166667","","Michel, C.; Moreau, J.M.; Achenbach, G.D.; Gerson, R.; James, W.J.","Atomic structures of two rhombohedral ferroelectric phases in the Pb (Zr Ti) O3 solid solution series","Solid State Communications","1969","7","","865","868","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538431","15.8828","0.0018","6.8328","0.0008","13.9502","0.0016","90","","107.844","0.002","90","","1441.1","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H8 N2 O3 S -","- C17 H8 N2 O3 S -","- C68 H32 N8 O12 S4 -","4","1","","Tseng, Huan-Wei; Shen, Jiun-Yi; Kuo, Ting-Yi; Tu, Ting-Syun; Chen, Yi-An; Demchenko, Alexander P.; Chou, Pi-Tai","Excited-state intramolecular proton-transfer reaction demonstrating anti-Kasha behavior","Chem. Sci.","2016","7","1","655","","10.1039/C5SC01945A","","","0.71073","MoKα","","0.1021","0.0669","","","0.162","0.2021","","","","","","1.09","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1538526","8.959","","6.885","","12.218","","90","","90","","90","","753.639","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba2 Ge S4 -","- Ba2 Ge S4 -","- Ba8 Ge4 S16 -","4","0.5","","Ribes, M.; Maurin, M.","Etude radiochristallographique des thiogermanates de baryum","Revue de Chimie Minerale","1970","7","","75","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1538585","8.62","","8.62","","8.62","","90","","90","","90","","640.504","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","","","- Pr2.667 S4 -","- Pr2.667 S4 -","- Pr10.668 S16 -","4","0.0833333","","Lashkarev, G.V.; Radzikovskaya, S.V.; Radchenko, M.V.","Magnetic susceptibilities of certain rare earth sesquisulfides","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1971","7","","767","768","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538587","8.43","","8.43","","8.43","","90","","90","","90","","599.077","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Sm2.667 S4","","- S4 Sm2.667 -","- S4 Sm2.667 -","- S16 Sm10.668 -","4","0.0833333","","Lashkarev, G.V.; Radzikovskaya, S.V.; Radchenko, M.V.","Magnetic susceptibilities of certain rare earth sesquisulfides","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1971","7","","767","768","","","","","","","","","","","","","","","","","","","","","","has coordinates","167243","2020-10-21","18:00:00",""
"1538820","4.02","","4.02","","4.207","","90","","90","","120","","58.878","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Nd2 Ni Si3)0.5","","- Nd Ni0.5 Si1.5 -","- Nd Ni0.5 Si1.5 -","- Nd Ni0.5 Si1.5 -","1","0.0416667","","Mayer, I.; Felner, I.","Structure types of ternary rare earth - Transition metal silicides of the Ln Mx Si2-x type","Journal of Solid State Chemistry","1973","7","","292","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538822","7.284","","7.284","","7.284","","90","","90","","90","","386.465","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ni2 Pr -","- Ni2 Pr -","- Ni16 Pr8 -","8","0.0416667","","Mayer, I.; Felner, I.","Structure types of ternary rare earth - Transition metal silicides of the Ln Mx Si2-x type","Journal of Solid State Chemistry","1973","7","","292","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538824","4.021","","4.021","","4.025","","90","","90","","120","","56.359","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Ni Pr2 Si3)0.5","","- Ni0.5 Pr Si1.5 -","- Ni0.5 Pr Si1.5 -","- Ni0.5 Pr Si1.5 -","1","0.0416667","","Mayer, I.; Felner, I.","Structure types of ternary rare earth - Transition metal silicides of the Ln Mx Si2-x type","Journal of Solid State Chemistry","1973","7","","292","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538955","5.481","","5.481","","5.481","","90","","90","","90","","164.657","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","U S","","- S U -","- S U -","- S4 U4 -","4","0.0208333","","Palewski, T.; Bukowski, Z.","Magnetic properties of U S1-x - U Sex solid solution","Materials Science","1981","7","","463","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538956","5.727","","5.727","","5.727","","90","","90","","90","","187.837","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","U Se","","- Se U -","- Se U -","- Se4 U4 -","4","0.0208333","","Palewski, T.; Bukowski, Z.","Magnetic properties of U S1-x - U Sex solid solution","Materials Science","1981","7","","463","466","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539134","5.611","","5.611","","5.611","","57.23","","57.23","","57.23","","116.944","","","","","","","","","","","","","3","R -3 c :R","-P 3* 2n","167","","Mn (Sn O3)","","- Mn O3 Sn -","- Mn O3 Sn -","- Mn2 O6 Sn2 -","2","0.166667","","Syono, Y.; Sawamoto, H.; Akimoto, S.","Disordered ilmenite Mn Sn O3 and its magnetic property","Solid State Communications","1969","7","","713","716","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539150","3.418","","3.418","","3.418","","90","","90","","90","","39.932","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Hf Nb -","- Hf Nb -","- Hf Nb -","1","0.0104167","","Taylor, A.; Doyle, N.J.","The constitution diagram of the niobium-hafnium system","Journal of the Less-Common Metals","1964","7","","37","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539152","3.478","","3.478","","3.478","","90","","90","","90","","42.072","","","","","","","","","","","","","3","I m -3 m","-I 4 2 3","229","","(Hf4 Nb3 Zr3)0.2","","- Hf0.8 Nb0.6 Zr0.6 -","- Hf0.8 Nb0.6 Zr0.6 -","- Hf0.8 Nb0.6 Zr0.6 -","1","0.0104167","","Taylor, A.; Doyle, N.J.","The constitution diagram of the niobium-hafnium system","Journal of the Less-Common Metals","1964","7","","37","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","167976","2020-10-21","18:00:00",""
"1539456","9.625","","9.625","","9.625","","90","","90","","90","","891.666","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Cs2 Rb Y F6","","- Cs2 F6 Rb Y -","- Cs2 F6 Rb Y -","- Cs8 F24 Rb4 Y4 -","4","0.0208333","","Vedrine, A.; Besse, J.P.; Baud, G.; Capestan, M.","Fluorures triples de structure Perovskite, de sodium-potassium-rubidium ou cesium, de calcium et d'yttrium- lanthane ou gallium. Substitutions diverses entre ces elements","Revue de Chimie Minerale","1970","7","","593","610","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539460","9.445","","9.445","","9.445","","90","","90","","90","","842.57","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Cs2 K Y F6","","- Cs2 F6 K Y -","- Cs2 F6 K Y -","- Cs8 F24 K4 Y4 -","4","0.0208333","","Vedrine, A.; Besse, J.P.; Capestan, M.; Baud, G.","Fluorures triples de structure Perovskite, de sodium-potassium-rubidium ou cesium, de calcium et d'yttrium- lanthane ou gallium. Substitutions diverses entre ces elements","Revue de Chimie Minerale","1970","7","","593","610","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539464","9.075","","9.075","","9.075","","90","","90","","90","","747.377","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Cs2 Na Y F6","","- Cs2 F6 Na Y -","- Cs2 F6 Na Y -","- Cs8 F24 Na4 Y4 -","4","0.0208333","","Vedrine, A.; Besse, J.P.; Capestan, M.; Baud, G.","Fluorures triples de structure Perovskite, de sodium-potassium-rubidium ou cesium, de calcium et d'yttrium- lanthane ou gallium. Substitutions diverses entre ces elements.","Revue de Chimie Minerale","1970","7","","593","610","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539466","8.895","","8.895","","8.895","","90","","90","","90","","703.782","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Rb2 Na Y F6","","- F6 Na Rb2 Y -","- F6 Na Rb2 Y -","- F24 Na4 Rb8 Y4 -","4","0.0208333","","Vedrine, A.; Capestan, M.; Baud, G.; Besse, J.P.","Fluorures triples de structure Perovskite, de sodium-potassium-rubidium ou cesium, de calcium et d'yttrium- lanthane ou gallium. Substitutions diverses entre des elements.","Revue de Chimie Minerale","1970","7","","593","610","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539490","5.838","","5.838","","5.838","","90","","90","","90","","198.972","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Sc Sb","","- Sb Sc -","- Sb Sc -","- Sb4 Sc4 -","4","0.0208333","","Zhuravlev, N.N.; Smirnova, E.M.","Alloys of bismuth and antimony with scandium","Soviet Physics, Crystallography (= Kristallografiya)","1962","7","","243","244","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539658","25.067","","25.067","","25.067","","90","","90","","90","","15751","","","","","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","Na7 Gd27 (Al88.11 Si103.9 O384) (H2 O)195","","- Al88.11 Gd27 H390 Na7 O579 Si103.9 -","- Al88.1088 Gd27.0016 Na7.0016 O578.998 Si103.891 -","- Al88.1088 Gd27.0016 Na7.0016 O578.998 Si103.891 -","1","0.00520833","","Calestani, G.; Bacca, G.; Andreetti, G.D.","Structural study of zeolite X exchanged with 'f' transition elements.Part II. Crystal structure of hydrated Gd27 Na7 (88) zeolite X","Zeolites","1987","7","","59","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539660","25.031","","25.031","","25.031","","90","","90","","90","","15683.2","","","","","","","","","","","","","4","F d -3 :2","-F 2uv 2vw 3","203","","Na88 (Al88 Si104 O386) (H2 O)194.54","","- Al88.032 Na83.056 O522.56 Si103.968 -","- Al88.032 Na83.056 O522.56 Si103.968 -","- Al88.032 Na83.056 O522.56 Si103.968 -","1","0.0104167","","Calestani, G.; Bacca, G.; Andreetti, G.D.","Structural study of zeolite X exchanged with 'f' transition elements.Part I. Crystal structure of reference hydrated Na-X","Zeolites","1987","7","","54","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","168643","2020-10-21","18:00:00",""
"1539669","9.601","","9.601","","7.725","","90","","90","","120","","616.683","","","","","","","","","","","","","4","P -3","-P 3","147","","K3 Lu (P O4)2","","- K3 Lu O8 P2 -","- K3 Lu O8 P2 -","- K9 Lu3 O24 P6 -","3","0.5","","Efremov, V.A.; Mel'nikov, P.P.; Komissarova, L.N.","Distortion of the glaserite structure of K3 Lu (P O4)2","Koordinatsionnaya Khimiya (= Coordination Chemistry (USSR))","1981","7","","467","471","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539743","4.2943","","4.2943","","5.2328","","90","","90","","120","","83.57","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Cu2 In -","- Cu2 In -","- Cu4 In2 -","2","0.0833333","","Che, G.C.; Ellner, M.","Powder crystal data for the high-temperature phases Cu4 In, Cu9 In4(h) and Cu2 In(h)","Powder Diffraction","1992","7","","107","108","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540023","30.518","0.002","31.449","0.002","54.722","0.004","81.113","0.004","76.27","0.004","68.114","0.004","47215","6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C625 H509 B25 Cd12 F142 N145 O3 P7 Ru4 -","- C625 H507 B5 Cd12 F26 N145 O3 P Ru4 -","- C1250 H1014 B10 Cd24 F52 N290 O6 P2 Ru8 -","2","1","","Metherell, Alexander J.; Ward, Michael D.","Imposing control on self-assembly: rational design and synthesis of a mixed-metal, mixed-ligand coordination cage containing four types of component","Chem. Sci.","2016","7","2","910","","10.1039/C5SC03526K","","","1.54178","CuKα","","0.2488","0.1639","","","0.3963","0.4363","","","","","","1.251","","","","has coordinates","175912","2020-10-21","18:00:00",""
"1540182","12.657","0.0012","17.3227","0.0016","13.6878","0.0013","90","","91.065","0.004","90","","3000.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 B2 Cu2 Mn4 O8 -","- C28 H20 B2 Cu2 Mn4 O8 -","- C112 H80 B8 Cu8 Mn16 O32 -","4","1","","Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine","Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters","Chem. Sci.","2016","7","1","109","","10.1039/C5SC03206G","","","0.71073","MoKα","","0.0396","0.0308","","","0.0743","0.078","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540183","17.4662","0.0013","12.1607","0.0009","15.4013","0.0018","90","","119.822","0.002","90","","2838.1","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Au2 B2 Mn4 O8 -","- C28 H20 Au2 B2 Mn4 O8 -","- C112 H80 Au8 B8 Mn16 O32 -","4","0.5","","Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine","Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters","Chem. Sci.","2016","7","1","109","","10.1039/C5SC03206G","","","0.71073","MoKα","","0.0195","0.0167","","","0.04","0.0409","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540184","11.174","0.0008","11.176","0.0008","19.8602","0.0014","83.931","0.002","83.831","0.002","75.995","0.002","2384.3","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H76 B Cu Mn2 O4 P2 Pt -","- C50 H76 B Cu Mn2 O4 P2 Pt -","- C100 H152 B2 Cu2 Mn4 O8 P4 Pt2 -","2","1","","Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine","Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters","Chem. Sci.","2016","7","1","109","","10.1039/C5SC03206G","","","0.71073","MoKα","","0.068","0.0428","","","0.0869","0.0966","","","","","","0.992","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1540185","12.516","0.002","13.405","0.003","19.099","0.004","100.262","0.005","97.963","0.005","95.107","0.005","3101.4","1.1","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C70 H83 B Cu Mn2 N2 O4 P Pt -","- C70 H83 B Cu Mn2 N2 O4 P Pt -","- C140 H166 B2 Cu2 Mn4 N4 O8 P2 Pt2 -","2","1","","Braunschweig, Holger; Ewing, William C.; Ghosh, Sundargopal; Kramer, Thomas; Mattock, James D.; Östreicher, Sebastian; Vargas, Alfredo; Werner, Christine","Trimetallaborides as starting points for the syntheses of large metal-rich molecular borides and clusters","Chem. Sci.","2016","7","1","109","","10.1039/C5SC03206G","","","0.71073","MoKα","","0.0642","0.041","","","0.0839","0.0913","","","","","","1.117","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1540186","20.1366","0.0014","18.5935","0.0012","28.856","0.002","90","","95.5214","0.0019","90","","10753.8","1.3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C138 H112 Cu2 N4 S -","- C138 H112 Cu2 N4 S -","- C552 H448 Cu8 N16 S4 -","4","1","","Zhai, Junjie; Filatov, Alexander S.; Hillhouse, Gregory L.; Hopkins, Michael D.","Synthesis, structure, and reactions of a copper‒sulfido cluster comprised of the parent Cu2S unit: {(NHC)Cu}2(μ-S)","Chem. Sci.","2016","7","1","589","","10.1039/C5SC03258J","","","0.71073","MoKα","","0.0648","0.0549","","","0.134","0.14","","","","","","1.076","","","","has coordinates,has disorder","175926","2020-10-21","18:00:00",""
"1540187","12.65","0.003","18.177","0.005","23.842","0.006","90","","91.587","0.003","90","","5480","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H59 Cl2 Cu N2 S -","- C70 H59 Cl2 Cu N2 S -","- C280 H236 Cl8 Cu4 N8 S4 -","4","1","","Zhai, Junjie; Filatov, Alexander S.; Hillhouse, Gregory L.; Hopkins, Michael D.","Synthesis, structure, and reactions of a copper‒sulfido cluster comprised of the parent Cu2S unit: {(NHC)Cu}2(μ-S)","Chem. Sci.","2016","7","1","589","","10.1039/C5SC03258J","","","0.71073","MoKα","","0.1443","0.0833","","","0.1864","0.2134","","","","","","1.056","","","","has coordinates","175926","2020-10-21","18:00:00",""
"1540188","12.6538","0.001","10.6947","0.0009","19.3375","0.0015","90","","90","","90","","2616.9","0.4","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27 H37 Cu N2 S -","- C27 H37 Cu N2 S -","- C108 H148 Cu4 N8 S4 -","4","0.5","","Zhai, Junjie; Filatov, Alexander S.; Hillhouse, Gregory L.; Hopkins, Michael D.","Synthesis, structure, and reactions of a copper–sulfido cluster comprised of the parent Cu2S unit: {(NHC)Cu}2(μ-S)","Chem. Sci.","2016","7","1","589","","10.1039/C5SC03258J","","","0.71073","MoKα","","0.0606","0.0561","","","0.126","0.1284","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540189","6.3072","0.0001","12.4643","0.0003","12.5184","0.0003","101.141","0.001","100.174","0.001","103.802","0.0012","911.73","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H31 B2 N O4 -","- C15 H31 B2 N O4 -","- C30 H62 B4 N2 O8 -","2","1","","Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.","Magnesium-catalysed nitrile hydroboration","Chem. Sci.","2016","7","1","628","","10.1039/C5SC03114A","","","0.71073","MoKα","","0.0613","0.0495","","","0.1087","0.1137","","","","","","1.093","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540190","12.741","0.0002","12.948","0.0002","20.76","0.0003","90","","92.575","0.001","90","","3421.33","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H49 Mg N3 O -","- C37 H49 Mg N3 O -","- C148 H196 Mg4 N12 O4 -","4","1","","Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.","Magnesium-catalysed nitrile hydroboration","Chem. Sci.","2016","7","1","628","","10.1039/C5SC03114A","","","0.71073","MoKα","","0.0837","0.0569","","","0.1247","0.1347","","","","","","1.114","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540191","22.747","0.0002","13.264","0.0001","24.917","0.0002","90","","115.512","0.001","90","","6784.83","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H98 Mg2 N6 O2 -","- C74 H98 Mg2 N6 O2 -","- C296 H392 Mg8 N24 O8 -","4","1","","Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.","Magnesium-catalysed nitrile hydroboration","Chem. Sci.","2016","7","1","628","","10.1039/C5SC03114A","","","0.71073","MoKα","","0.1025","0.0561","","","0.1192","0.1405","","","","","","1.043","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540192","13.7058","0.0002","13.1659","0.0002","22.9509","0.0003","90","","96.1775","0.0006","90","","4117.42","0.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 B Mg N3 O -","- C40 H64 B Mg N3 O2 -","- C160 H256 B4 Mg4 N12 O8 -","4","1","","Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.","Magnesium-catalysed nitrile hydroboration","Chem. Sci.","2016","7","1","628","","10.1039/C5SC03114A","","","0.71073","MoKα","","0.0894","0.0498","","","0.1103","0.1273","","","","","","1.018","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540193","12.3279","0.0005","30.1877","0.0009","26.5175","0.0011","90","","102.622","0.002","90","","9630","0.6","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C102 H132 B Mg2 N6 O2 -","- C102 H132 B Mg2 N6 O2 -","- C408 H528 B4 Mg8 N24 O8 -","4","1","","Weetman, Catherine; Anker, Mathew D.; Arrowsmith, Merle; Hill, Michael S.; Kociok-Köhn, Gabriele; Liptrot, David J.; Mahon, Mary F.","Magnesium-catalysed nitrile hydroboration","Chem. Sci.","2016","7","1","628","","10.1039/C5SC03114A","","","0.71073","MoKα","","0.1638","0.0804","","","0.1714","0.211","","","","","","1.015","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1540380","24.9951","0.0016","18.5586","0.0012","51.826","0.005","90","","90.478","0.001","90","","24040","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H153 Ag3 Au15 O2 S14 -","- C84 H161 Ag3 Au15 O4 S14 -","- C672 H1288 Ag24 Au120 O32 S112 -","8","1","","Xiang, Ji; Li, Peng; Song, Yongbo; Liu, Xia; Chong, Hanbao; Jin, Shan; Pei, Yong; Yuan, Xiaoyou; Zhu, Manzhou","X-Ray crystal structure, and optical and electrochemical properties of the Au15Ag3(SC6H11)14 nanocluster with a core-shell structure.","Nanoscale","2015","7","43","18278","18283","10.1039/c5nr05131b","","","0.71073","MoKα","","0.1948","0.1342","","","0.2506","0.2715","","","","","","1.071","","","","has coordinates","171294","2020-10-21","18:00:00",""
"1540390","37.115","0.008","37.115","0.008","8.929","0.0019","90","","90","","120","","10652","4","103","2","103","2","","","","","","","","2","R -3 :H","-R 3","148","","","","- C66 H56 -","- C66 H56 -","- C594 H504 -","9","0.5","","Maekawa, Takehisa; Ueno, Hiroshi; Segawa, Yasutomo; Haley, Michael M.; Itami, Kenichiro","Synthesis of open-shell ladder π-systems by catalytic C‒H annulation of diarylacetylenes","Chem. Sci.","2016","7","1","650","","10.1039/C5SC03391H","","","0.71075","MoKα","","0.0951","0.056","","","0.1134","0.1371","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540391","14.623","0.006","14.269","0.005","15.12","0.006","90","","109.197","0.007","90","","2979","2","103","2","103","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C84 H72 O2 -","- C84 H72 O2 -","- C168 H144 O4 -","2","0.5","","Maekawa, Takehisa; Ueno, Hiroshi; Segawa, Yasutomo; Haley, Michael M.; Itami, Kenichiro","Synthesis of open-shell ladder π-systems by catalytic C‒H annulation of diarylacetylenes","Chem. Sci.","2016","7","1","650","","10.1039/C5SC03391H","","","0.71075","MoKα","","0.1713","0.096","","","0.2429","0.2959","","","","","","0.957","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540420","9.8165","0.0006","12.2268","0.001","14.5725","0.0012","100.954","0.007","94.518","0.006","103.585","0.006","1655.1","0.2","173","2","173.15","","","","","","","","","4","P -1","-P 1","2","","5-(methylsulfonyl)-2,3-diphenylbenzofuran","","- C21 H16 O3 S -","- C21 H16 O3 S -","- C84 H64 O12 S4 -","4","2","","Zhang, Yun; Lam, Jacky W. Y.; Tang, Ben Zhong","Palladium-catalyzed alkyne polyannulation of diphenols and unactivated internal diynes: a new synthetic route to functional heterocyclic polymers","Polym. Chem.","2016","7","2","330","","10.1039/C5PY01466B","","","1.5418","CuKα","","0.0823","0.0539","","","0.1251","0.1392","","","","","","1.001","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540421","9.6299","0.001","4.8972","0.0005","42.482","0.005","90","","95.129","0.003","90","","1995.4","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","N-dodecyl thiophene fused isoindigo","(E)-4,4'-dichloro-5,5'-didodecyl-[7,7'-bithieno[2,3-f]indolylidene]-6,6'(5H,5'H)-dione","","- C44 H56 Cl2 N2 O2 S2 -","- C44 H56 Cl2 N2 O2 S2 -","- C88 H112 Cl4 N4 O4 S4 -","2","0.5","","Zhao, Na; Ai, Na; Cai, Mian; Wang, Xiao; Pei, Jian; Wan, Xiaobo","Thiophene-fused isoindigo based conjugated polymers for ambipolar organic field-effect transistors","Polym. Chem.","2016","7","1","235","","10.1039/C5PY01488C","","","0.71073","MoKα","","0.106","0.049","","","0.1255","0.1816","","","","","","1.086","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540422","15.2293","0.0008","17.6141","0.0009","19.9261","0.001","110.314","0.001","90.518","0.001","114.615","0.001","4482.6","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","3-bromo-4-chloro-5-dodecyl-5H-thieno[2,3-f]indole-6,7-dione","","- C22 H27 Br Cl N O2 S -","- C22 H27 Br Cl N O2 S -","- C176 H216 Br8 Cl8 N8 O16 S8 -","8","4","","Zhao, Na; Ai, Na; Cai, Mian; Wang, Xiao; Pei, Jian; Wan, Xiaobo","Thiophene-fused isoindigo based conjugated polymers for ambipolar organic field-effect transistors","Polym. Chem.","2016","7","1","235","","10.1039/C5PY01488C","","","0.71073","MoKα","","0.0954","0.0453","","","0.0829","0.0956","","","","","","1.047","","","","has coordinates,has disorder","301779","2025-08-18","16:06:42",""
"1540423","9.117","0.003","9.259","0.0018","16.283","0.003","86.352","0.001","86.17","0.001","69.853","0.003","1286.3","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H25 Br2 N O2 S2 Si -","- C22 H25 Br2 N O2 S2 Si -","- C44 H50 Br4 N2 O4 S4 Si2 -","2","1","","Liu, Lijie; Song, Jinsheng; Lu, Heng; Wang, Hua; Bo, Zhishan","Novel dithienosilole-based conjugated copolymers and their application in bulk heterojunction solar cells","Polym. Chem.","2016","7","2","319","","10.1039/C5PY01427A","","","0.71073","MoKα","","0.0586","0.0427","","","0.1221","0.1326","","","","","","1.072","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540424","12.979","0.01","12.411","0.009","15.532","0.012","90","","92.684","0.015","90","","2499","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 N2 S2 Si3 -","- C20 H26 N2 S2 Si3 -","- C80 H104 N8 S8 Si12 -","4","1","","Liu, Lijie; Song, Jinsheng; Lu, Heng; Wang, Hua; Bo, Zhishan","Novel dithienosilole-based conjugated copolymers and their application in bulk heterojunction solar cells","Polym. Chem.","2016","7","2","319","","10.1039/C5PY01427A","","","0.71073","MoKα","","0.0912","0.0462","","","0.106","0.1276","","","","","","1.005","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540427","31.467","0.005","9.589","0.005","30.77","0.005","90","","91.556","0.005","90","","9281","5","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C78 H96 Cl16 Fe2 N8 O18 -","- C78 H96 Cl16 Fe2 N8 O18 -","- C312 H384 Cl64 Fe8 N32 O72 -","4","1","","Sil, Debangsu; Dey, Soumyajit; Kumar, Amit; Bhowmik, Susovan; Rath, Sankar Prasad","Oxidation triggers extensive conjugation and unusual stabilization of two di-heme dication diradical intermediates: role of bridging group for electronic communication","Chem. Sci.","2016","7","2","1212","","10.1039/C5SC03120F","","","0.71069","MoKα","","0.1108","0.0679","","","0.1584","0.1791","","","","","","1.031","","","","has coordinates,has disorder","175898","2020-10-21","18:00:00",""
"1540428","15.165","0.005","18.236","0.005","15.623","0.005","90","0.005","103.044","0.005","90","0.005","4209","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H92 Cl14 Fe4 N8 -","- C76 H92 Cl14 Fe4 N8 -","- C152 H184 Cl28 Fe8 N16 -","2","0.5","","Sil, Debangsu; Dey, Soumyajit; Kumar, Amit; Bhowmik, Susovan; Rath, Sankar Prasad","Oxidation triggers extensive conjugation and unusual stabilization of two di-heme dication diradical intermediates: role of bridging group for electronic communication","Chem. Sci.","2016","7","2","1212","","10.1039/C5SC03120F","","","0.71073","MoKα","","0.068","0.0489","","","0.1214","0.1332","","","","","","1.032","","","","has coordinates,has disorder","175898","2020-10-21","18:00:00",""
"1540429","3.6831","0.0002","25.8877","0.0019","16.8155","0.0011","90","","90","","90","","1603.31","0.18","293","2","293","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- K2 S7 Sn3 -","- K2 S7 Sn3 -","- K8 S28 Sn12 -","4","0.25","","Sarma, Debajit; Malliakas, Christos D.; Subrahmanyam, K. S.; Islam, Saiful M.; Kanatzidis, Mercouri G.","K2xSn4−xS8−x(x = 0.65‒1): a new metal sulfide for rapid and selective removal of Cs+, Sr2+and UO22+ions","Chem. Sci.","2016","7","2","1121","","10.1039/C5SC03040D","","","0.71073","MoKα","","0.0796","0.0749","","","0.2183","0.2237","","","","","","1.14","","","","has coordinates","175905","2020-10-21","18:00:00",""
"1540430","13.092","0.003","16.882","0.002","7.3748","0.0013","90","","98.1","0.015","90","","1613.7","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- K1.92 S7.04 Sn3.04 -","- K1.912 S7.041 Sn3.041 -","- K7.648 S28.164 Sn12.164 -","4","1","","Sarma, Debajit; Malliakas, Christos D.; Subrahmanyam, K. S.; Islam, Saiful M.; Kanatzidis, Mercouri G.","K2xSn4−xS8−x(x = 0.65‒1): a new metal sulfide for rapid and selective removal of Cs+, Sr2+and UO22+ions","Chem. Sci.","2016","7","2","1121","","10.1039/C5SC03040D","","","0.71073","MoKα","","0.141","0.1063","","","0.2807","0.31","","","","","","1.135","","","","has coordinates","175905","2020-10-21","18:00:00",""
"1540431","10.8398","0.0018","16.34","0.003","17.69","0.003","85.439","0.006","75.15","0.005","82.111","0.006","2996.8","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C72 H74 As N4 -","- C72 H74 As N4 -","- C144 H148 As2 N8 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements","Chem. Sci.","2016","7","1","745","","10.1039/C5SC03515E","","","0.71073","MoKα","","0.1623","0.0596","","","0.1122","0.147","","","","","","0.965","","","","has coordinates,has disorder","175929","2020-10-21","18:00:00",""
"1540432","10.6316","0.0009","12.8458","0.001","20.4651","0.0017","85.732","0.004","82.704","0.005","66.749","0.004","2546.3","0.4","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H62 As N3 P -","- C60 H62 As0.9995 N3 P0.9999 -","- C120 H124 As1.999 N6 P1.9998 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements","Chem. Sci.","2016","7","1","745","","10.1039/C5SC03515E","","","0.71073","MoKα","","0.0767","0.0576","","","0.1413","0.1486","","","","","","1.008","","","","has coordinates,has disorder","175929","2020-10-21","18:00:00",""
"1540433","10.6707","0.0005","12.7933","0.0006","20.5386","0.0009","85.861","0.003","82.563","0.003","67.099","0.002","2560.3","0.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H62 As N3 P -","- C60 H62 As0.9997 N3 P0.9997 -","- C120 H124 As1.9994 N6 P1.9994 -","2","1","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements","Chem. Sci.","2016","7","1","745","","10.1039/C5SC03515E","","","0.71073","MoKα","","0.0881","0.0465","","","0.0934","0.1013","","","","","","0.877","","","","has coordinates,has disorder","175929","2020-10-21","18:00:00",""
"1540434","24.123","0.002","12.4043","0.0009","39.14","0.003","90","","106.871","0.003","90","","11207.8","1.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65.25 H71.25 As N3 P2 -","- C65.252 H71.252 As N3 P2 -","- C522.016 H570.016 As8 N24 P16 -","8","2","","Hinz, Alexander; Schulz, Axel; Villinger, Alexander","Zwitterionic and biradicaloid heteroatomic cyclopentane derivatives containing different group 15 elements","Chem. Sci.","2016","7","1","745","","10.1039/C5SC03515E","","","0.71073","MoKα","","0.0897","0.0511","","","0.1059","0.1204","","","","","","1.005","","","","has coordinates,has disorder","175929","2020-10-21","18:00:00",""
"1540435","13.5212","0.0003","15.0131","0.0004","16.025","0.0002","90","","116.716","0.001","90","","2905.73","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 Ir O P2 S2 -","- C29 H37 Ir O P2 S2 -","- C116 H148 Ir4 O4 P8 S8 -","4","1","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M.","Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water","Chem. Sci.","2016","7","2","921","","10.1039/C5SC03575A","","","0.71073","MoKα","","0.0348","0.0276","","","0.0632","0.0682","","","","","","1.044","","","","has coordinates","175906","2020-10-21","18:00:00",""
"1540436","12.8155","0.0007","14.1374","0.0008","19.4358","0.0011","105.409","0.002","103.594","0.002","93.729","0.002","3269","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.5 H40 Ir O2 P2 S2 -","- C32.5 H40 Ir O2 P2 S2 -","- C130 H160 Ir4 O8 P8 S8 -","4","2","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M.","Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water","Chem. Sci.","2016","7","2","921","","10.1039/C5SC03575A","","","1.54178","CuKα","","0.0382","0.0356","","","0.0894","0.0917","","","","","","1.031","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1540437","14.5417","0.0003","11.2071","0.0002","22.7055","0.0005","90","","106.959","0.001","90","","3539.41","0.13","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H44 Br Ir O P2 S2 -","- C36 H44 Br Ir O P2 S2 -","- C144 H176 Br4 Ir4 O4 P8 S8 -","4","1","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M.","Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water","Chem. Sci.","2016","7","2","921","","10.1039/C5SC03575A","","","1.54178","CuKα","","0.0214","0.0201","","","0.0491","0.0497","","","","","","1.073","","","","has coordinates","175906","2020-10-21","18:00:00",""
"1540438","12.4862","0.0003","13.6671","0.0005","23.602","0.0006","90","","118.383","0.002","90","","3543.52","0.19","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 Cl3 Ir P2 S2 -","- C36 H44 Cl3 Ir P2 S2 -","- C144 H176 Cl12 Ir4 P8 S8 -","4","1","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M.","Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water","Chem. Sci.","2016","7","2","921","","10.1039/C5SC03575A","","","0.71073","MoKα","","0.0757","0.0552","","","0.1355","0.1511","","","","","","1.132","","","","has coordinates,has disorder","175906","2020-10-21","18:00:00",""
"1540439","29.3975","0.0005","17.9182","0.0003","23.5916","0.0006","90","","122.649","0.001","90","","10463.3","0.4","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C31 H36 Cl F6 Ir O6 P2 S4 -","- C31 H36 Cl F6 Ir O6 P2 S4 -","- C248 H288 Cl8 F48 Ir8 O48 P16 S32 -","8","1","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M.","Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water","Chem. Sci.","2016","7","2","921","","10.1039/C5SC03575A","","","1.54178","CuKα","","0.0635","0.0498","","","0.1303","0.1443","","","","","","1.02","","","","has coordinates","175906","2020-10-21","18:00:00",""
"1540440","27.4764","0.0005","20.4688","0.0004","18.4422","0.0004","90","","112.874","0.001","90","","9556.4","0.3","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C31 H38 Cl F6 Ir O7 P2 S4 -","- C31 H38 Cl F6 Ir O7 P2 S4 -","- C248 H304 Cl8 F48 Ir8 O56 P16 S32 -","8","1","","Doyle, Lauren E.; Piers, Warren E.; Borau-Garcia, Javier; Sgro, Michael J.; Spasyuk, Denis M.","Mechanistic studies on the addition of hydrogen to iridaepoxide complexes with subsequent elimination of water","Chem. Sci.","2016","7","2","921","","10.1039/C5SC03575A","","","1.54178","CuKα","","0.0437","0.0391","","","0.1051","0.1089","","","","","","1.037","","","","has coordinates,has disorder","175906","2020-10-21","18:00:00",""
"1540441","11.8013","0.0012","5.5827","0.0006","22.723","0.002","90","","100.092","0.002","90","","1473.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15.19 H10.98 Ca O6 S -","- C15.108 H10.77 Ca O6 S -","- C60.432 H43.08 Ca4 O24 S4 -","4","1","","Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing","Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework","Chem. Sci.","2016","7","1","759","","10.1039/C5SC03685B","","","0.71073","MoKα","","0.0643","0.0523","","","0.1177","0.1233","","","","","","1.002","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1540442","11.7292","0.0013","5.5685","0.0006","22.792","0.003","90","","100.493","0.002","90","","1463.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14.6 H9.36 Ca O6 S -","- C14.63 H9.44 Ca O6 S -","- C58.52 H37.76 Ca4 O24 S4 -","4","1","","Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing","Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework","Chem. Sci.","2016","7","1","759","","10.1039/C5SC03685B","","","0.71073","MoKα","","0.057","0.0462","","","0.1037","0.1088","","","","","","1.042","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540443","11.715","0.0006","5.5679","0.0003","22.8208","0.0011","90","","100.532","0.001","90","","1463.48","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14.63 H9.47 Ca O6 S -","- C14.63 H9.47 Ca O6 S -","- C58.52 H37.88 Ca4 O24 S4 -","4","1","","Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing","Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework","Chem. Sci.","2016","7","1","759","","10.1039/C5SC03685B","","","0.71073","MoKα","","0.0645","0.0618","","","0.1292","0.1309","","","","","","1.005","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540444","11.8767","0.0011","5.5769","0.0005","22.486","0.002","90","","99.893","0.001","90","","1467.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15.58 H11.8 Ca O6 S -","- C15.58 H11.792 Ca O6 S -","- C62.32 H47.168 Ca4 O24 S4 -","4","1","","Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing","Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework","Chem. Sci.","2016","7","1","759","","10.1039/C5SC03685B","","","0.71073","MoKα","","0.056","0.047","","","0.1151","0.1192","","","","","","1.111","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540445","11.7073","0.001","5.5647","0.0005","22.83","0.002","90","","100.586","0.001","90","","1462","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14.5 H9.34 Ca O6 S -","- C14.501 H9.336 Ca O6 S -","- C58.004 H37.344 Ca4 O24 S4 -","4","1","","Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing","Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework","Chem. Sci.","2016","7","1","759","","10.1039/C5SC03685B","","","0.71073","MoKα","","0.0439","0.0372","","","0.0904","0.0939","","","","","","1.054","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540446","11.6426","0.0008","5.5574","0.0004","22.8446","0.0016","90","","100.681","0.001","90","","1452.5","0.18","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15.31 H11.5 Ca O6 S -","- C15.311 H11.496 Ca O6 S -","- C61.244 H45.984 Ca4 O24 S4 -","4","1","","Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing","Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework","Chem. Sci.","2016","7","1","759","","10.1039/C5SC03685B","","","0.71073","MoKα","","0.0349","0.0324","","","0.084","0.0857","","","","","","1.049","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540447","11.6884","0.0005","5.5643","0.0002","22.8159","0.001","90","","100.691","0.004","90","","1458.14","0.11","100","1","100","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14.72 H9.79 Ca O6 S -","- C14.716 H9.79 Ca O6 S -","- C58.864 H39.16 Ca4 O24 S4 -","4","1","","Banerjee, Debasis; Wang, Hao; Gong, Qihan; Plonka, Anna M.; Jagiello, Jacek; Wu, Haohan; Woerner, William R.; Emge, Thomas J.; Olson, David H.; Parise, John B.; Li, Jing","Direct structural evidence of commensurate-to-incommensurate transition of hydrocarbon adsorption in a microporous metal organic framework","Chem. Sci.","2016","7","1","759","","10.1039/C5SC03685B","","x-ray","0.71073","MoKα","","0.0437","0.0346","","","0.0806","0.0858","","","","","","1.01","","","","has coordinates","175934","2020-10-21","18:00:00",""
"1540455","27.57803","0.00073","11.91923","0.00033","27.111","0.00073","90","0","95.085","0.0008","90","0","8876.6","0.4","100","2","100","2","","","","","","","Synthesized","6","C 1 2/c 1","-C 2yc","15","[(Fc2-NHC)2Au][Cl]","","","- C94 H100 Au2 Cl6 Fe4 N8 -","- C94 H100 Au2 Cl6 Fe4 N8 -","- C376 H400 Au8 Cl24 Fe16 N32 -","4","0.5","","Arambula, J. F.; McCall, R.; Sidoran, K. J.; Magda, D.; Mitchell, N. A.; Bielawski, C. W.; Lynch, V. M.; Sessler, J. L.; Arumugam, K.","Targeting Antioxidant Pathways with Ferrocenylated N-Heterocyclic Carbene Supported Gold(I) Complexes in A549 Lung Cancer Cells.","Chemical science (Royal Society of Chemistry : 2010)","2016","7","2","1245","1256","10.1039/C5SC03519H","","","0.71069","MoKα","","0.0522","0.0495","","","0.1294","0.1306","","","","","","1.204","","","","has coordinates,has disorder","177711","2020-10-21","18:00:00",""
"1540456","12.3866","0.00231","12.62423","0.00237","15.23356","0.00286","90.566","0.0045","98.3173","0.004","114.321","0.004","2141.5","0.7","100","2","100","2","","","","","","","synthesized","6","P -1","-P 1","2","[Fc2-NHC)2Au][I]","","","- C50 H48 Au Fe4 I N4 -","- C50 H48 Au Fe4 I N4 -","- C100 H96 Au2 Fe8 I2 N8 -","2","1","","Arambula, J. F.; McCall, R.; Sidoran, K. J.; Magda, D.; Mitchell, N. A.; Bielawski, C. W.; Lynch, V. M.; Sessler, J. L.; Arumugam, K.","Targeting Antioxidant Pathways with Ferrocenylated N-Heterocyclic Carbene Supported Gold(I) Complexes in A549 Lung Cancer Cells.","Chemical science (Royal Society of Chemistry : 2010)","2016","7","2","1245","1256","10.1039/C5SC03519H","","","0.71069","MoKα","","0.0724","0.0644","","","0.1832","0.1903","","","","","","1.049","","","","has coordinates,has disorder","177711","2020-10-21","18:00:00",""
"1540457","5.8762","0.0009","23.96","0.002","12.4969","0.0012","90","","91.956","0.01","90","","1758.5","0.4","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C31 H56 Cl2 N10 -","- C31 H56 Cl1.9999 N10 -","- C62 H112 Cl3.9998 N20 -","2","0.5","","Zambon, A.; Mouesca, J.-M.; Gheorghiu, C.; Bayle, P. A.; Pécaut, J.; Claeys-Bruno, M.; Gambarelli, S.; Dubois, L.","s-Heptazine oligomers: promising structural models for graphitic carbon nitride","Chem. Sci.","2016","7","2","945","","10.1039/C5SC02992A","","","0.71073","MoKα","","0.128","0.0788","","","0.2","0.2294","","","","","","1.051","","","","has coordinates,has disorder","175913","2020-10-21","18:00:00",""
"1540458","21.414","0.0019","11.9388","0.0009","25.308","0.002","90","","96.333","0.008","90","","6430.7","0.9","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H91 N21 O4 -","- C60 H91 N21 O4 -","- C240 H364 N84 O16 -","4","1","","Zambon, A.; Mouesca, J.-M.; Gheorghiu, C.; Bayle, P. A.; Pécaut, J.; Claeys-Bruno, M.; Gambarelli, S.; Dubois, L.","s-Heptazine oligomers: promising structural models for graphitic carbon nitride","Chem. Sci.","2016","7","2","945","","10.1039/C5SC02992A","","","0.71073","MoKα","","0.1552","0.0677","","","0.118","0.1495","","","","","","1.005","","","","has coordinates,has disorder","301779","2025-08-18","16:06:42",""
"1540459","14.485","0.004","7.985","0.002","23.646","0.007","90","","106.418","0.006","90","","2623.4","1.3","100","0.5","100","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","jonsc01","(4-MeO-t-BuPOCOP)NiCl","","- C23 H41 Cl Ni O3 P2 -","- C23 H41 Cl Ni O3 P2 -","- C92 H164 Cl4 Ni4 O12 P8 -","4","1","","Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.","Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes","Chem. Sci.","2016","7","1","117","","10.1039/C5SC03189C","","","0.71073","MoKα","","0.0934","0.0498","","","0.0939","0.1087","","","","","","1.024","","","","has coordinates,has disorder","175921","2020-10-21","18:00:00",""
"1540460","9.8433","0.0017","19.618","0.003","13.982","0.002","90","","105.052","0.004","90","","2607.4","0.7","100","0.5","100","0.5","","","","","","","","6","P 1 21/n 1","-P 2yn","14","jonsc05","(4-Me-t-BuPOCOP)NiCl","","- C23 H41 Cl Ni O2 P2 -","- C23 H41 Cl Ni O2 P2 -","- C92 H164 Cl4 Ni4 O8 P8 -","4","1","","Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.","Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes","Chem. Sci.","2016","7","1","117","","10.1039/C5SC03189C","","","0.71073","MoKα","","0.0928","0.0485","","","0.0973","0.1123","","","","","","1.022","","","","has coordinates","175921","2020-10-21","18:00:00",""
"1540461","9.756","0.003","19.408","0.006","14.026","0.004","90","","104.528","0.006","90","","2570.8","1.3","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","jonsc04","(4-MeO-t-BuPOCOP)Ni-H","","- C23 H42 Ni O3 P2 -","- C23 H42 Ni O3 P2 -","- C92 H168 Ni4 O12 P8 -","4","1","","Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.","Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes","Chem. Sci.","2016","7","1","117","","10.1039/C5SC03189C","","","0.71073","MoKα","","0.0949","0.0493","","","0.099","0.1152","","","","","","1.029","","","","has coordinates","175921","2020-10-21","18:00:00",""
"1540462","9.528","0.003","20.201","0.007","13.434","0.005","90","","100.908","0.007","90","","2539","1.5","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","jonsc03","(4-Me-t-BuPOCOP)Ni-H","","- C23 H42 Ni O2 P2 -","- C23 H42 Ni O2 P2 -","- C92 H168 Ni4 O8 P8 -","4","1","","Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.","Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes","Chem. Sci.","2016","7","1","117","","10.1039/C5SC03189C","","","0.71073","MoKα","","0.0868","0.0571","","","0.1174","0.1264","","","","","","1.134","","","","has coordinates","175921","2020-10-21","18:00:00",""
"1540463","15.131","0.003","12.589","0.002","17.529","0.003","90","","106.717","0.004","90","","3197.9","1","100","0.5","100","0.5","","","","","","","hexane/MeOH","5","P 1 21/n 1","-P 2yn","14","jonsc02","(3,5-t-Bu2-t-BuPOCOP)Ni-H","","- C30 H56 Ni O2 P2 -","- C30 H56 Ni O2 P2 -","- C120 H224 Ni4 O8 P8 -","4","1","","Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.","Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes","Chem. Sci.","2016","7","1","117","","10.1039/C5SC03189C","","","0.71073","MoKα","","0.0988","0.0527","","","0.1088","0.1271","","","","","","1.043","","","","has coordinates","175921","2020-10-21","18:00:00",""
"1540464","7.6473","0.0009","12.5571","0.0015","15.1719","0.0018","90","","92.552","0.002","90","","1455.5","0.3","100","0.5","100","0.5","","","","","","","","8","P 1 21/m 1","-P 2yb","11","jonsc15","[(4-Me-t-BuPOCOP)Ni-NCMe]+ [BF4]-","","- C25 H44 B F4 N Ni O2 P2 -","- C25 H44 B F4 N Ni O2 P2 -","- C50 H88 B2 F8 N2 Ni2 O4 P4 -","2","0.5","","Ramakrishnan, Srinivasan; Chakraborty, Sumit; Brennessel, William W.; Chidsey, Christopher E. D.; Jones, William D.","Rapid oxidative hydrogen evolution from a family of square-planar nickel hydride complexes","Chem. Sci.","2016","7","1","117","","10.1039/C5SC03189C","","","0.71073","MoKα","","0.0588","0.0389","","","0.0817","0.0896","","","","","","1.029","","","","has coordinates,has disorder","175921","2020-10-21","18:00:00",""
"1540467","9.9877","0.0005","15.1541","0.0007","10.2131","0.0006","90","","103.161","0.005","90","","1505.2","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 N3 O6 -","- C17 H11 N3 O6 -","- C68 H44 N12 O24 -","4","1","","Meazza, Marta; Light, Mark E.; Mazzanti, Andrea; Rios, Ramon","Synergistic catalysis: cis-cyclopropanation of benzoxazoles","Chem. Sci.","2016","7","2","984","","10.1039/C5SC03597J","","x-ray","0.71073","MoKα","","0.1725","0.1503","","","0.3307","0.3428","","","","","","1.08","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540485","10.278","0.002","15.524","0.004","18.474","0.004","90","","90","","90","","2947.6","1.1","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 Cl O3 P2 Pd -","- C29 H39 Cl O3 P2 Pd -","- C116 H156 Cl4 O12 P8 Pd4 -","4","1","","Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko","Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts","Chem. Sci.","2016","7","1","737","","10.1039/C5SC03361F","","","0.71075","MoKα","","0.0372","0.0363","","","0.1018","0.1027","","","","","","1.06","","","","has coordinates","175917","2020-10-21","18:00:00",""
"1540486","8.338","0.004","13.576","0.006","14.319","0.007","81.992","0.015","83.829","0.016","75.466","0.016","1549.2","1.3","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H45 F6 O3 P3 Pd -","- C25 H45 F6 O3 P3 Pd -","- C50 H90 F12 O6 P6 Pd2 -","2","1","","Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko","Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts","Chem. Sci.","2016","7","1","737","","10.1039/C5SC03361F","","","0.71075","MoKα","","0.0997","0.0879","","","0.141","0.1469","","","","","","1.229","","","","has coordinates,has disorder","175917","2020-10-21","18:00:00",""
"1540487","8.2128","0.0013","22.725","0.004","20.504","0.004","90","","100.299","0.0019","90","","3765.1","1.2","93","","93","","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C31 H51 Cl2 F6 N O3 P3 Pd -","- C31 H51 Cl2 F6 N O3 P3 Pd -","- C124 H204 Cl8 F24 N4 O12 P12 Pd4 -","4","1","","Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko","Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts","Chem. Sci.","2016","7","1","737","","10.1039/C5SC03361F","","","0.71075","MoKα","","0.0269","0.0256","","","0.0569","0.0581","","","","","","1.032","","","","has coordinates","175917","2020-10-21","18:00:00",""
"1540488","11.521","0.003","16.475","0.004","22.564","0.006","90","","99.836","0.004","90","","4219.9","1.9","93","","93","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H47 Cl5 F6 O5 P3 Pd -","- C35 H47 Cl5 F6 O5 P3 Pd -","- C140 H188 Cl20 F24 O20 P12 Pd4 -","4","1","","Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko","Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide–palladium catalysts","Chem. Sci.","2016","7","1","737","","10.1039/C5SC03361F","","","0.71075","MoKα","","0.0614","0.0572","","","0.1488","0.1522","","","","","","1.094","","","","has coordinates,has disorder","301779","2025-08-18","16:06:42",""
"1540489","14.361","0.003","22.678","0.005","25.532","0.006","90","","90","","90","","8315","3","93","","93","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H44 F12 N O3 P3 Pd -","- C38 H44 F12 N O3 P3 Pd -","- C304 H352 F96 N8 O24 P24 Pd8 -","8","1","","Mitsushige, Yusuke; Carrow, Brad P.; Ito, Shingo; Nozaki, Kyoko","Ligand-controlled insertion regioselectivity accelerates copolymerisation of ethylene with methyl acrylate by cationic bisphosphine monoxide‒palladium catalysts","Chem. Sci.","2016","7","1","737","","10.1039/C5SC03361F","","","0.71075","MoKα","","0.09","0.083","","","0.1731","0.177","","","","","","1.306","","","","has coordinates,has disorder","175917","2020-10-21","18:00:00",""
"1540492","8.2586","0.0009","15.8638","0.0017","9.4209","0.001","90","","113.19","0.001","90","","1134.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{H3N(CH2)4NH3}[Fe2(C2O4)3](H2O)6","","","- C10 H26 Fe2 N2 O18 -","- C10 H26 Fe2 N2 O18 -","- C20 H52 Fe4 N4 O36 -","2","0.5","","Sadakiyo, Masaaki; Yamada, Teppei; Kato, Kenichi; Takata, Masaki; Kitagawa, Hiroshi","A significant change in selective adsorption behaviour for ethanol by flexibility control through the type of central metals in a metal‒organic framework","Chem. Sci.","2016","7","2","1349","","10.1039/C5SC03325J","","","0.71069","MoKα","","0.0205","0.0196","","","0.0529","0.0535","","","","","","1.048","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540493","8.292","0.002","15.688","0.004","9.38","0.003","90","","114.8","0.001","90","","1107.7","0.5","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","{H3N(CH2)4NH3}[Mg2(C2O4)3](H2O)6","","","- C10 H26 Mg2 N2 O18 -","- C10 Mg2 N2 O18 -","- C20 Mg4 N4 O36 -","2","0.5","","Sadakiyo, Masaaki; Yamada, Teppei; Kato, Kenichi; Takata, Masaki; Kitagawa, Hiroshi","A significant change in selective adsorption behaviour for ethanol by flexibility control through the type of central metals in a metal‒organic framework","Chem. Sci.","2016","7","2","1349","","10.1039/C5SC03325J","","","0.7107","MoKα","","0.0839","0.0613","","","0.198","0.2502","","","","","","1.178","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1540494","7.3879","0.0004","15.852","0.001","41.261","0.003","90","","90.675","0.003","90","","4831.9","0.5","93","","93","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","5Me-[5]CMP","","- C35 H30 -","- C35 H30 -","- C280 H240 -","8","2","","Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures","Chem. Sci.","2016","7","2","896","","10.1039/C5SC03807C","","","1.54187","CuKα","","0.0539","0.0494","","","0.1236","0.1274","","","","","","1.097","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540495","18.861","0.011","18.861","0.011","7.446","0.005","90","","90","","120","","2294","2","93","","93","","","","","","","","","3","R -3 :H","-R 3","148","","6Me-[6]CMP","","- C44 H39 N -","- C44 H39.0001 N -","- C132 H117 N3 -","3","0.166667","","Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures","Chem. Sci.","2016","7","2","896","","10.1039/C5SC03807C","","","1.54187","CuKα","","0.0725","0.0517","","","0.1287","0.1494","","","","","","1.078","","","","has coordinates,has disorder","175897","2020-10-21","18:00:00",""
"1540496","29.026","0.006","7.501","0.0015","33.242","0.007","90","","104.96","0.03","90","","6992","3","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","7Me-[7]CMP","","- C49 H42 -","- C49 H42 -","- C392 H336 -","8","1","","Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures","Chem. Sci.","2016","7","2","896","","10.1039/C5SC03807C","","","0.75","synchrotron","","0.0919","0.072","","","0.1942","0.2118","","","","","","0.988","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540497","14.3269","0.0011","17.0916","0.0012","42.481","0.003","90","","90","","90","","10402.3","1.3","93","","93","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","8Me-[8]CMP","","- C62.9 H62.9 Cl2.71 -","- C62.904 H62.904 Cl2.712 -","- C503.232 H503.232 Cl21.696 -","8","1","","Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures","Chem. Sci.","2016","7","2","896","","10.1039/C5SC03807C","","","1.54187","CuKα","","0.0675","0.0618","","","0.1835","0.1884","","","","","","1.028","","","","has coordinates","175897","2020-10-21","18:00:00",""
"1540498","22.263","0.002","7.4477","0.0008","28.978","0.003","90","","109.502","0.003","90","","4529.1","0.8","93","","93","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","9Me-[9]CMP","","- C63 H54 -","- C63 H54 -","- C252 H216 -","4","1","","Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures","Chem. Sci.","2016","7","2","896","","10.1039/C5SC03807C","","","1.54187","CuKα","","0.0604","0.0534","","","0.1502","0.1562","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540499","16.2912","0.0016","15.2859","0.0017","43.96","0.004","90","","90","","90","","10947.2","1.9","93","","93","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","3Me-[6]CMP","","- C39 H30 -","- C39 H30 -","- C624 H480 -","16","2","","Xue, Jing Yang; Izumi, Tomoo; Yoshii, Asami; Ikemoto, Koki; Koretsune, Takashi; Akashi, Ryosuke; Arita, Ryotaro; Taka, Hideo; Kita, Hiroshi; Sato, Sota; Isobe, Hiroyuki","Aromatic hydrocarbon macrocycles for highly efficient organic light-emitting devices with single-layer architectures","Chem. Sci.","2016","7","2","896","","10.1039/C5SC03807C","","","1.54187","CuKα","","0.037","0.0343","","","0.0904","0.0926","","","","","","1.05","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540500","6.182","0.005","8.842","0.007","26.31","0.02","90","","90","","90","","1438","2","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 N2 O3 S -","- C15 H14 N2 O3 S -","- C60 H56 N8 O12 S4 -","4","1","","Kondoh, Azusa; Ota, Yusuke; Komuro, Takazumi; Egawa, Fuyuki; Kanomata, Kyohei; Terada, Masahiro","Chiral Brønsted acid-catalyzed enantioselective Friedel–Crafts reaction of 2-methoxyfuran with aliphatic ketimines generated in situ","Chem. Sci.","2016","7","2","1057","","10.1039/C5SC03175C","","","0.71075","MoKα","","0.0322","0.0308","","","0.0748","0.076","","","","","","1.07","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540515","14.501","0.004","20.18","0.006","22.027","0.007","62.892","0.004","84.149","0.004","77.27","0.004","5597","3","110.15","","110.15","","","","","","","","","3","P -1","-P 1","2","","6,9-dimethyl-16-(1-octylnonyl)-16H-dinaphtho[1,2-b:2',1'-h]-carbazole","","- C47 H55 N -","- C47 H55 N -","- C282 H330 N6 -","6","3","","Lee, Jongbok; Rajeeva, Bharath Bangalore; Yuan, Tianyu; Guo, Zi-Hao; Lin, Yen-Hao; Al-Hashimi, Mohammed; Zheng, Yuebing; Fang, Lei","Thermodynamic synthesis of solution processable ladder polymers","Chem. Sci.","2016","7","2","881","","10.1039/C5SC02385H","","","0.71073","MoKα","","0.1331","0.0916","","","0.2314","0.2748","","","","","","1.14","","","","has coordinates,has disorder","301779","2025-08-18","16:06:42",""
"1540516","10.3672","0.0014","15.451","0.002","17.504","0.002","84.827","0.006","78.441","0.005","86.992","0.006","2734.1","0.6","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 B Cl3 F6 N2 O5 -","- C24 H18 B Cl3 F6 N2 O5 -","- C96 H72 B4 Cl12 F24 N8 O20 -","4","2","","Ishihara, Kazuaki; Lu, Yanhui","Boronic acid–DMAPO cooperative catalysis for dehydrative condensation between carboxylic acids and amines","Chem. Sci.","2016","7","2","1276","","10.1039/C5SC03761A","","","0.71075","MoKα","","0.06","0.0422","","","0.1116","0.1186","","","","","","1.037","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540517","11.74","0.005","21.882","0.009","28.231","0.011","90","","92.244","0.008","90","","7247","5","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H26 Cl2 F N5 -","- C45 H26 Cl2 F N5 -","- C360 H208 Cl16 F8 N40 -","8","2","","Peng, Jiang; Guo, Xinyan; Jiang, Xinpeng; Zhao, Dahui; Ma, Yuguo","Developing efficient heavy-atom-free photosensitizers applicable to TTA upconversion in polymer films","Chem. Sci.","2016","7","2","1233","","10.1039/C5SC03245H","","","0.71073","MoKα","","0.2311","0.2184","","","0.5118","0.5154","","","","","","3.075","","","","has coordinates,has disorder","301779","2025-08-18","16:06:42",""
"1540518","9.568","0.004","14.645","0.004","21.564","0.006","90","","90","","90","","3021.6","1.7","93","","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H35 N O Si -","- C38 H35 N O Si -","- C152 H140 N4 O4 Si4 -","4","1","","Shintani, Ryo; Takano, Ryo; Nozaki, Kyoko","Rhodium-catalyzed asymmetric synthesis of silicon-stereogenic silicon-bridged arylpyridinones","Chem. Sci.","2016","7","2","1205","","10.1039/C5SC03767K","","","1.54187","CuKα","","0.0735","0.0721","","","0.1856","0.1881","","","","","","1.046","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540519","6.7057","0.0004","9.395","0.0005","10.2135","0.0007","75.517","0.004","77.083","0.005","71.249","0.003","582.7","0.06","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H36 S2 -","- C28 H36 S2 -","- C28 H36 S2 -","1","0.5","","Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J.","Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials","Chem. Sci.","2016","7","2","1281","","10.1039/C5SC03823E","","","1.54178","CuKα","","0.0558","0.0503","","","0.1284","0.1338","","","","","","0.911","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540520","6.1837","0.0006","9.106","0.0005","11.6714","0.0006","67.24","0.005","76.721","0.006","79.135","0.006","586.18","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H36 S2 -","- C28 H36 S2 -","- C28 H36 S2 -","1","0.5","","Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J.","Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials","Chem. Sci.","2016","7","2","1281","","10.1039/C5SC03823E","","","1.5418","CuKα","","0.0631","0.0611","","","0.1658","0.1693","","","","","","0.928","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540521","5.4552","0.0002","9.113","0.0003","24.9685","0.0008","80.515","0.002","88.025","0.002","77.197","0.002","1193.85","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 O2 S2 -","- C28 H32 O2 S2 -","- C56 H64 O4 S4 -","2","1","","Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J.","Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials","Chem. Sci.","2016","7","2","1281","","10.1039/C5SC03823E","","","1.54178","CuKα","","0.0416","0.036","","","0.0987","0.1033","","","","","","1.008","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540522","11.2121","0.0004","10.8647","0.0002","19.8947","0.0004","90","","92.346","0.002","90","","2421.46","0.11","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 O2 S2 -","- C28 H32 O2 S2 -","- C112 H128 O8 S8 -","4","1","","Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J.","Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials","Chem. Sci.","2016","7","2","1281","","10.1039/C5SC03823E","","","1.54178","CuKα","","0.0632","0.0417","","","0.0976","0.108","","","","","","1.053","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540523","21.1876","0.0007","4.6865","0.0002","20.8975","0.0008","90","","91.004","0.002","90","","2074.71","0.14","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H26 S2 -","- C26 H26 S2 -","- C104 H104 S8 -","4","0.5","","Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J.","Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials","Chem. Sci.","2016","7","2","1281","","10.1039/C5SC03823E","","","1.54178","CuKα","","0.0625","0.0509","","","0.1364","0.1451","","","","","","1.129","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540531","16.151","0.003","9.5824","0.0019","16.403","0.003","90","","111.38","0.03","90","","2363.9","0.9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 Cl N O P Pd -","- C25 H29 Cl N O P Pd -","- C100 H116 Cl4 N4 O4 P4 Pd4 -","4","1","","Peng, Jing; Chen, Chao; Xi, Chanjuan","β-Arylation of oxime ethers using diaryliodonium salts through activation of inert C(sp3)‒H bonds using a palladium catalyst","Chem. Sci.","2016","7","2","1383","","10.1039/C5SC03903G","","","0.71073","MoKα","","0.0312","0.0291","","","0.0802","0.0818","","","","","","1.043","","","","has coordinates","175900","2020-10-21","18:00:00",""
"1540532","35.188","0.007","7.4837","0.0015","16.526","0.003","90","","98.87","0.03","90","","4299.9","1.5","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C47 H65 N O5 -","- C47 H65 N O5 -","- C188 H260 N4 O20 -","4","1","","Peng, Jing; Chen, Chao; Xi, Chanjuan","β-Arylation of oxime ethers using diaryliodonium salts through activation of inert C(sp3)–H bonds using a palladium catalyst","Chem. Sci.","2016","7","2","1383","","10.1039/C5SC03903G","","","0.71073","MoKα","","0.1218","0.0992","","","0.2153","0.2303","","","","","","1.051","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540538","34.19","0.004","32.89","0.004","44.013","0.005","90","","110.32","0.003","90","","46413","9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C150.25 H144 Cl4.5 Mn12 N24 O56 -","- C150.25 H144 Cl4.5 Mn12 N24 O56 -","- C1202 H1152 Cl36 Mn96 N192 O448 -","8","2","","Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George","Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer","Chem. Sci.","2016","7","2","1156","","10.1039/C5SC02599K","","","0.71073","MoKα","","0.2135","0.074","","","0.1617","0.1886","","","","","","0.624","","","","has coordinates,has disorder","175904","2020-10-21","18:00:00",""
"1540539","16.0232","0.0017","41.093","0.004","13.0506","0.0014","90","","110.908","0.002","90","","8027.2","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H86 Mn6 N10 O26 -","- C60 H68 Mn6 N8 O24 -","- C240 H272 Mn24 N32 O96 -","4","0.5","","Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George","Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer","Chem. Sci.","2016","7","2","1156","","10.1039/C5SC02599K","","","0.71073","MoKα","","0.065","0.046","","","0.1276","0.1337","","","","","","1.08","","","","has coordinates,has disorder","175904","2020-10-21","18:00:00",""
"1540540","16.7797","0.0018","16.9615","0.0018","20.538","0.004","93.849","0.003","105.068","0.003","116.263","0.002","4948.4","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H98 Cl10 Mn6 N10 O32 -","- C68 H70 Cl2 Mn6 N10 O30 -","- C136 H140 Cl4 Mn12 N20 O60 -","2","1","","Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George","Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer","Chem. Sci.","2016","7","2","1156","","10.1039/C5SC02599K","","","0.71073","MoKα","","0.0937","0.0732","","","0.2028","0.2163","","","","","","1.112","","","","has coordinates,has disorder","175904","2020-10-21","18:00:00",""
"1540541","42.112","0.003","26.498","0.0016","30.5334","0.0018","90","","127.707","0.001","90","","26956","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C206 H252 Cl44 Mn12 N24 O48 -","- C188.6 H217.8 Cl8 Mn12 N24 O56 -","- C754.4 H871.2 Cl32 Mn48 N96 O224 -","4","0.5","","Nguyen, Tu N.; Wernsdorfer, Wolfgang; Shiddiq, Muhandis; Abboud, Khalil A.; Hill, Stephen; Christou, George","Supramolecular aggregates of single-molecule magnets: exchange-biased quantum tunneling of magnetization in a rectangular [Mn3]4tetramer","Chem. Sci.","2016","7","2","1156","","10.1039/C5SC02599K","","","0.71073","MoKα","","0.0845","0.0511","","","0.1321","0.1411","","","","","","1.001","","","","has coordinates,has disorder","175904","2020-10-21","18:00:00",""
"1540542","12.4983","0.0008","12.6057","0.0009","18.1384","0.0012","98.507","0.002","92.517","0.0019","95.084","0.0019","2810.4","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H94 Au B F4 N2 O3 -","- C58 H94 Au B F4 N2 O3 -","- C116 H188 Au2 B2 F8 N4 O6 -","2","1","","Jin, Liqun; Melaimi, Mohand; Kostenko, Arseni; Karni, Miriam; Apeloig, Yitzhak; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy","Isolation of cationic and neutral (allenylidene)(carbene) and bis(allenylidene)gold complexes","Chem. Sci.","2016","7","1","150","","10.1039/C5SC03654B","","x-ray","0.71073","MoKα","","0.0793","0.0671","","","0.1527","0.1577","","","","","","1.212","","","","has coordinates,has disorder","175931","2020-10-21","18:00:00",""
"1540543","20.0066","0.0006","16.2975","0.0005","20.6068","0.0006","90","","119.023","0.0014","90","","5875.3","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H98 Au N2 O3.5 -","- C46 H70 Au N2 -","- C184 H280 Au4 N8 -","4","0.5","","Jin, Liqun; Melaimi, Mohand; Kostenko, Arseni; Karni, Miriam; Apeloig, Yitzhak; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy","Isolation of cationic and neutral (allenylidene)(carbene) and bis(allenylidene)gold complexes","Chem. Sci.","2016","7","1","150","","10.1039/C5SC03654B","","x-ray","0.71073","MoKα","","0.0566","0.0474","","","0.1178","0.1209","","","","","","1.154","","","","has coordinates,has disorder","175931","2020-10-21","18:00:00",""
"1540544","15.393","0.004","14.569","0.004","24.605","0.006","90","","106.993","0.005","90","","5277","2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H74 Au B Cl4 F4 N2 -","- C50 H74 Au B Cl4 F4 N2 -","- C200 H296 Au4 B4 Cl16 F16 N8 -","4","1","","Jin, Liqun; Melaimi, Mohand; Kostenko, Arseni; Karni, Miriam; Apeloig, Yitzhak; Moore, Curtis E.; Rheingold, Arnold L.; Bertrand, Guy","Isolation of cationic and neutral (allenylidene)(carbene) and bis(allenylidene)gold complexes","Chem. Sci.","2016","7","1","150","","10.1039/C5SC03654B","","x-ray","0.71073","MoKα","","0.1203","0.0499","","","0.0979","0.1179","","","","","","1.007","","","","has coordinates,has disorder","175931","2020-10-21","18:00:00",""
"1540545","9.726","0.005","17.928","0.009","17.689","0.009","90","","90.136","0.008","90","","3084","3","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H43 B Cl Mg N6 -","- C27 H43 B Cl Mg N6 -","- C108 H172 B4 Cl4 Mg4 N24 -","4","2","","Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard","Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C–F bond formation","Chem. Sci.","2016","7","1","142","","10.1039/C5SC03504J","","","0.71073","MoKα","","0.0667","0.0541","","","0.1405","0.1531","","","","","","1.048","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540546","9.422","0.003","30.397","0.009","9.544","0.003","90","","98.992","0.004","90","","2699.8","1.4","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 B F Mg N6 -","- C24 H40 B F Mg N6 -","- C96 H160 B4 F4 Mg4 N24 -","4","1","","Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard","Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C–F bond formation","Chem. Sci.","2016","7","1","142","","10.1039/C5SC03504J","","","0.71073","MoKα","","0.0696","0.0507","","","0.1234","0.1336","","","","","","1.036","","","","has coordinates,has disorder","301779","2025-08-18","16:06:42",""
"1540547","10.469","0.003","16.987","0.005","16.162","0.005","90","","91.359","0.004","90","","2873.4","1.5","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H40 B I Mg N6 -","- C24 H40 B I Mg N6 -","- C96 H160 B4 I4 Mg4 N24 -","4","1","","Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard","Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C–F bond formation","Chem. Sci.","2016","7","1","142","","10.1039/C5SC03504J","","","0.71073","MoKα","","0.055","0.0387","","","0.0927","0.1012","","","","","","1.032","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540548","9.724","0.004","18.118","0.007","17.751","0.006","90","","90.132","0.006","90","","3127","2","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H43 B Br Mg N6 -","- C27 H43 B Br Mg N6 -","- C108 H172 B4 Br4 Mg4 N24 -","4","2","","Rauch, Michael; Ruccolo, Serge; Mester, John Paul; Rong, Yi; Parkin, Gerard","Synthesis, structure and reactivity of a terminal magnesium fluoride compound, [TpBut,Me]MgF: hydrogen bonding, halogen bonding and C–F bond formation","Chem. Sci.","2016","7","1","142","","10.1039/C5SC03504J","","","0.71073","MoKα","","0.088","0.0653","","","0.171","0.1845","","","","","","1.076","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540553","6.7708","0.0003","15.0499","0.0006","18.2635","0.0007","90","","98.942","0.004","90","","1838.43","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(2-methylbut-3-en-1-yl)-N-(4-nitrobenzenesulfonyl)-2-methoxyaniline","","- C18 H20 N2 O5 S -","- C18 H20 N2 O5 S -","- C72 H80 N8 O20 S4 -","4","2","","Oda, Susumu; Franke, Jana; Krische, Michael J.","Diene hydroaminomethylation via ruthenium-catalyzed C–C bond forming transfer hydrogenation: beyond carbonylation","Chem. Sci.","2016","7","1","136","","10.1039/C5SC03854E","","","1.54184","CuKα","","0.043","0.0406","","","0.1088","0.1112","","","","","","1.05","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540554","10.311","0.003","18.895","0.005","20.77","0.006","69.618","0.007","85.946","0.007","76.898","0.006","3694.3","1.8","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H56 B P -","- C40 H56 B P -","- C160 H224 B4 P4 -","4","2","","Takamizawa, Satoshi; Takasaki, Yuichi","Shape-memory effect in an organosuperelastic crystal","Chem. Sci.","2016","7","2","1527","","10.1039/C5SC04057D","","","0.71073","MoKα","","0.2319","0.112","","","0.3496","0.4207","","","","","","1.12","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540555","10.5582","0.0011","19.131","0.002","20.915","0.002","68.892","0.002","85.501","0.003","77.175","0.002","3842.8","0.7","394","","394","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H56 B P -","- C40 H56 B P -","- C160 H224 B4 P4 -","4","2","","Takamizawa, Satoshi; Takasaki, Yuichi","Shape-memory effect in an organosuperelastic crystal","Chem. Sci.","2016","7","2","1527","","10.1039/C5SC04057D","","","0.71073","MoKα","","0.2774","0.096","","","0.266","0.3982","","","","","","0.894","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540556","12.1401","0.0014","36.975","0.004","17.688","0.002","90","","102.611","0.002","90","","7748.2","1.5","403","","403","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H56 B P -","- C40 H56 B P -","- C320 H448 B8 P8 -","8","2","","Takamizawa, Satoshi; Takasaki, Yuichi","Shape-memory effect in an organosuperelastic crystal","Chem. Sci.","2016","7","2","1527","","10.1039/C5SC04057D","","","0.71073","MoKα","","0.443","0.1668","","","0.4463","0.5654","","","","","","1.123","","","","has coordinates","175901","2020-10-21","18:00:00",""
"1540557","10.1868","0.0007","18.7141","0.0013","20.7566","0.0015","70.748","0.002","86.972","0.002","76.006","0.002","3623.3","0.4","183","","183","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H56 B P -","- C40 H56 B P -","- C160 H224 B4 P4 -","4","2","","Takamizawa, Satoshi; Takasaki, Yuichi","Shape-memory effect in an organosuperelastic crystal","Chem. Sci.","2016","7","2","1527","","10.1039/C5SC04057D","","","0.71073","MoKα","","0.2179","0.0888","","","0.1966","0.2639","","","","","","1.004","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540558","13.4225","0.0014","14.2249","0.0015","24.728","0.003","74.619","0.002","89.572","0.002","62.126","0.001","3986.3","0.8","120","2","120","2","","","","","","","","9","P -1","-P 1","2","MBar-JCA-1-107","","","- C40.75 H30.5 Au Cl1.5 Cr N O9 P S -","- C40.75 H29.5 Au Cl1.5 Cr N O9 P S -","- C163 H118 Au4 Cl6 Cr4 N4 O36 P4 S4 -","4","2","","Applegate, Jason C.; Okeowo, Monisola K.; Erickson, Nathan R.; Neal, Brad M.; Berrie, Cindy L.; Gerasimchukand, Nikolay N.; Barybin, Mikhail V.","First π-linker featuring mercapto and isocyano anchoring groups within the same molecule: Synthesis, heterobimetallic complexation and self-assembly on Au(111).","Chemical science (Royal Society of Chemistry : 2010)","2016","7","2","1422","1429","10.1039/C5SC04017E","","","0.71073","MoKα","","0.0954","0.0469","","","0.0843","0.1054","","","","","","1.041","","","","has coordinates,has disorder","177710","2020-10-21","18:00:00",""
"1540560","12.9311","0.0005","22.2426","0.0007","23.2785","0.0008","90","","102.771","0.004","90","","6529.8","0.4","143","2","143","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64.5 H54 Cl8 I3 O2 Os P3 -","- C64.5 H54 Cl8 I3 O2 Os P3 -","- C258 H216 Cl32 I12 O8 Os4 P12 -","4","1","","Luo, Ming; Zhu, Congqing; Chen, Lina; Zhang, Hong; Xia, Haiping","Halogenation of carbyne complexes: isolation of unsaturated metallaiodirenium ion and metallabromirenium ion","Chem. Sci.","2016","7","3","1815","","10.1039/C5SC03963K","","","0.71073","MoKα","","0.0518","0.0419","","","0.103","0.1074","","","","","","1.067","","","","has coordinates,has disorder","177721","2020-10-21","18:00:00",""
"1540561","13.0217","0.0003","22.2992","0.0005","23.1406","0.0005","90","","102.857","0.002","90","","6551","0.3","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H53 Br8 Cl2 O2 Os P3 -","- C64 H53 Br8 Cl2 O2 Os P3 -","- C256 H212 Br32 Cl8 O8 Os4 P12 -","4","1","","Luo, Ming; Zhu, Congqing; Chen, Lina; Zhang, Hong; Xia, Haiping","Halogenation of carbyne complexes: isolation of unsaturated metallaiodirenium ion and metallabromirenium ion","Chem. Sci.","2016","7","3","1815","","10.1039/C5SC03963K","","","0.71073","MoKα","","0.0937","0.067","","","0.1555","0.1669","","","","","","1.062","","","","has coordinates,has disorder","211178","2020-10-21","18:00:00",""
"1540562","10.47242","0.00008","19.20658","0.00014","10.61743","0.00009","90","","94.0778","0.0007","90","","2130.18","0.03","120","2","120","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C42 H53 Dy N2 O P2 Si2 -","- C42 H53 Dy N2 O P2 Si2 -","- C84 H106 Dy2 N4 O2 P4 Si4 -","2","0.5","","Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T.","A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour","Chem. Sci.","2016","7","1","155","","10.1039/C5SC03111G","","x-ray","1.54184","CuKα","","0.0197","0.0193","","","0.0494","0.0496","","","","","","1.043","","","","has coordinates,has disorder","175935","2020-10-21","18:00:00",""
"1540563","31.667","0.003","25.7439","0.0013","20.938","0.002","90","","132.786","0.016","90","","12527","4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H77 N4 P4 Si4 Y -","- C62 H77 N4 P4 Si4 Y -","- C496 H616 N32 P32 Si32 Y8 -","8","1","","Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T.","A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour","Chem. Sci.","2016","7","1","155","","10.1039/C5SC03111G","","x-ray","1.54184","CuKα","","0.0683","0.06","","","0.1668","0.1764","","","","","","1.02","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540564","31.7145","0.0011","25.723","0.0004","20.9468","0.0007","90","","132.69","0.006","90","","12560.4","1.4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H77 Dy N4 P4 Si4 -","- C62 H77 Dy N4 P4 Si4 -","- C496 H616 Dy8 N32 P32 Si32 -","8","1","","Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T.","A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour","Chem. Sci.","2016","7","1","155","","10.1039/C5SC03111G","","","1.54184","CuKα","","0.0257","0.0245","","","0.064","0.065","","","","","","1.037","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540565","15.1169","0.0005","15.282","0.0005","21.1716","0.0005","98.667","0.002","94.975","0.002","93.716","0.003","4801.8","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C90 H132 K N4 O10 P4 Si4 Y -","- C90 H132 K N4 O10 P4 Si4 Y -","- C180 H264 K2 N8 O20 P8 Si8 Y2 -","2","1","","Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T.","A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour","Chem. Sci.","2016","7","1","155","","10.1039/C5SC03111G","","x-ray","1.54184","CuKα","","0.086","0.0734","","","0.1877","0.2045","","","","","","1.031","","","","has coordinates,has disorder","175935","2020-10-21","18:00:00",""
"1540566","15.1483","0.0007","15.3041","0.0005","21.1587","0.0007","98.844","0.003","95.182","0.003","93.576","0.003","4812.6","0.3","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C90 H132 Dy K N4 O10 P4 Si4 -","- C90 H132 Dy K N4 O10 P4 Si4 -","- C180 H264 Dy2 K2 N8 O20 P8 Si8 -","2","1","","Gregson, Matthew; Chilton, Nicholas F.; Ariciu, Ana-Maria; Tuna, Floriana; Crowe, Iain F.; Lewis, William; Blake, Alexander J.; Collison, David; McInnes, Eric J. L.; Winpenny, Richard E. P.; Liddle, Stephen T.","A monometallic lanthanide bis(methanediide) single molecule magnet with a large energy barrier and complex spin relaxation behaviour","Chem. Sci.","2016","7","1","155","","10.1039/C5SC03111G","","x-ray","1.54184","CuKα","","0.1057","0.0791","","","0.1888","0.2143","","","","","","1.023","","","","has coordinates,has disorder","175935","2020-10-21","18:00:00",""
"1540567","16.174","0.003","17.746","0.004","17.83","0.004","65","0.03","64","0.03","81","0.03","4166","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Au25(PET)18 in the neutral charge state","","- C148 H170 Au25 O2 S36 -","- C158 H180 Au25 S18 -","- C158 H180 Au25 S18 -","1","0.5","","Tofanelli, Marcus A.; Salorinne, Kirsi; Ni, Thomas W.; Malola, Sami; Newell, Brian; Phillips, Billy; Häkkinen, Hannu; Ackerson, Christopher J.","Jahn‒Teller effects in Au25(SR)18","Chem. Sci.","2016","7","3","1882","","10.1039/C5SC02134K","","","0.71073","MoKα","","0.0891","0.0387","","","0.0826","0.1095","","","","","","1.031","","","","has coordinates","177732","2020-10-21","18:00:00",""
"1540568","16.8533","0.0007","17.775","0.0008","18.2364","0.0008","93.765","0.002","114.867","0.002","112.147","0.002","4424.4","0.4","120","2","120","2","","","","","","","N/A","6","P -1","-P 1","2","","Au25(PET)18 +1","","- C144 H180 Au25 F6 P S18 -","- C144 H198 Au25 F12 P2 S18 -","- C144 H198 Au25 F12 P2 S18 -","1","0.5","","Tofanelli, Marcus A.; Salorinne, Kirsi; Ni, Thomas W.; Malola, Sami; Newell, Brian; Phillips, Billy; Häkkinen, Hannu; Ackerson, Christopher J.","Jahn‒Teller effects in Au25(SR)18","Chem. Sci.","2016","7","3","1882","","10.1039/C5SC02134K","","","0.71073","MoKα","","0.0769","0.0482","","","0.1268","0.1501","","","","","","1.074","","","","has coordinates","177732","2020-10-21","18:00:00",""
"1540579","7.9683","0.0002","12.0495","0.0003","25.4584","0.0005","90","","90","","90","","2444.36","0.1","118","2","118","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","O-(4-nitrobenzyl)-(R)-1k","","- C26 H29 F3 N2 O5 -","- C26 H29 F3 N2 O5 -","- C104 H116 F12 N8 O20 -","4","1","","Ozawa, Jun; Tashiro, Masayuki; Ni, Jizhi; Oisaki, Kounosuke; Kanai, Motomu","Chemo- and regioselective oxygenation of C(sp3)–H bonds in aliphatic alcohols using a covalently bound directing activator and atmospheric oxygen","Chem. Sci.","2016","7","3","1904","","10.1039/C5SC04476F","","","1.54187","CuKα","","0.1456","0.0905","","","0.2223","0.3199","","","","","","1.111","","","","has coordinates","301779","2025-08-18","16:06:42",""
"1540581","6.1983","0.0001","9.7636","0.0003","17.0724","0.0004","75.866","0.002","84.107","0.001","87.755","0.001","996.5","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H34 N2 O -","- C23 H34 N2 O -","- C46 H68 N4 O2 -","2","1","","Race, Nicholas J.; Faulkner, Adele; Shaw, Megan H.; Bower, John F.","Dichotomous mechanistic behavior in Narasaka–Heck cyclizations: electron rich Pd-catalysts generate iminyl radicals","Chem. Sci.","2016","7","2","1508","","10.1039/C5SC04037J","","","0.71073","MoKα","","0.0429","0.037","","","0.0941","0.0985","","","","","","1.041","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540582","9.6325","0.0002","13.413","0.0003","18.8693","0.0013","96.651","0.007","91.573","0.007","109.521","0.008","2276.6","0.2","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","(2-hydroxy-6-(2-(pyridin-2-yl)phenyl)cyclohexyl)(4-(trifluoromethyl)phenyl)methanone","","- C26.75 H24 F3 N O2 -","- C26.75 H24 F3 N O2 -","- C107 H96 F12 N4 O8 -","4","2","","Boerth, Jeffrey A.; Ellman, Jonathan A.","Rh(III)-Catalyzed Diastereoselective C-H Bond Addition/Cyclization Cascade of Enone Tethered Aldehydes.","Chemical science (Royal Society of Chemistry : 2010)","2016","7","2","1474","1479","10.1039/C5SC04138D","","","1.54187","CuKα","","0.0428","0.0394","","","0.1018","0.1039","","","","","","1.072","","","","has coordinates,has disorder","301779","2025-08-18","16:06:43",""
"1540583","11.854","0.0008","13.0781","0.0009","16.154","0.0011","79.702","0.002","80.128","0.002","73.163","0.002","2339.2","0.3","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","Cp*Rhodium(III) Enolate of 1-phenyl-3-(2-(pyridin-2-yl)phenyl)propan-1-one","","- C54 H31 B F20 N O Rh -","- C54 H31 B F20 N O Rh -","- C108 H62 B2 F40 N2 O2 Rh2 -","2","1","","Boerth, Jeffrey A.; Ellman, Jonathan A.","Rh(III)-Catalyzed Diastereoselective C-H Bond Addition/Cyclization Cascade of Enone Tethered Aldehydes.","Chemical science (Royal Society of Chemistry : 2010)","2016","7","2","1474","1479","10.1039/C5SC04138D","","","1.54178","CuKα","","0.026","0.025","","","0.0727","0.0731","","","","","","1.126","","","","has coordinates","177712","2020-10-21","18:00:00",""
"1540585","10.9903","0.0019","17.558","0.003","19.758","0.004","99.562","0.003","105.779","0.003","107.217","0.003","3376.1","1.1","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C109.5 H36 N3 S5 Sc3 -","- C109.5 H36 N3 S5 Sc3 -","- C219 H72 N6 S10 Sc6 -","2","1","","Chen, Muqing; Bao, Lipiao; Ai, Min; Shen, Wangqiang; Lu, Xing","Sc3N@Ih-C80as a novel Lewis acid to trap abnormal N-heterocyclic carbenes: the unprecedented formation of a singly bonded [6,6,6]-adduct","Chem. Sci.","2016","7","3","2331","","10.1039/C5SC04070A","","","0.71073","MoKα","","0.1272","0.0784","","","0.205","0.2401","","","","","","1.046","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1540586","7.7762","0.0003","19.2554","0.0008","7.6287","0.0003","90","","98.728","0.002","90","","1129.05","0.08","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 F3 I N -","- C11 H7 F3 I N -","- C44 H28 F12 I4 N4 -","4","1","","Jacquet, Jérémy; Blanchard, Sébastien; Derat, Etienne; Desage-El Murr, Marine; Fensterbank, Louis","Redox-ligand sustains controlled generation of CF3radicals by well-defined copper complex","Chem. Sci.","2016","7","3","2030","","10.1039/C5SC03636D","","","0.71073","MoKα","","0.0323","0.025","","","0.0516","0.0545","","","","","","1.046","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540650","7.7264","0.0017","17.285","0.003","14.927","0.003","90","","94.081","0.007","90","","1988.5","0.7","113","","113","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 Br2 Fe N4 -","- C16 H14 Br2 Fe N4 -","- C64 H56 Br8 Fe4 N16 -","4","1","","Nakanishi, So-ichiro; Kawamura, Mitsunobu; Sunada, Yusuke; Nagashima, Hideo","Atom transfer radical polymerization by solvent-stabilized (Me3TACN)FeX2: a practical access to reusable iron(ii) catalysts","Polym. Chem.","2016","7","5","1037","","10.1039/C5PY01762A","","","0.71075","MoKα","","0.0593","0.0572","","","0.1435","0.1458","","","","","","1.245","","","","has coordinates","176208","2020-10-21","18:00:00",""
"1540651","16.3535","0.0018","12.5257","0.0013","7.6117","0.0008","90","","90","","90","","1559.2","0.3","113","","113","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H24 Br2 Fe N4 -","- C11 H24 Br2 Fe N4 -","- C44 H96 Br8 Fe4 N16 -","4","1","","Nakanishi, So-ichiro; Kawamura, Mitsunobu; Sunada, Yusuke; Nagashima, Hideo","Atom transfer radical polymerization by solvent-stabilized (Me3TACN)FeX2: a practical access to reusable iron(ii) catalysts","Polym. Chem.","2016","7","5","1037","","10.1039/C5PY01762A","","","0.71075","MoKα","","","0.0643","","","","0.1631","","","","","","0.886","","","","has coordinates","176208","2020-10-21","18:00:00",""
"1540652","22.0243","0.0016","16.0659","0.0011","23.6931","0.0017","90","","90","","90","","8383.6","1","113","","113","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H63 Br6 Fe3 N9 -","- C27 H63 Br6 Fe3 N9 -","- C216 H504 Br48 Fe24 N72 -","8","1","","Nakanishi, So-ichiro; Kawamura, Mitsunobu; Sunada, Yusuke; Nagashima, Hideo","Atom transfer radical polymerization by solvent-stabilized (Me3TACN)FeX2: a practical access to reusable iron(ii) catalysts","Polym. Chem.","2016","7","5","1037","","10.1039/C5PY01762A","","","0.71075","MoKα","","0.0661","0.0623","","","0.1372","0.1391","","","","","","1.3","","","","has coordinates","176208","2020-10-21","18:00:00",""
"1540653","15.919","0.002","11.3592","0.0016","17.894","0.003","90","","114.701","0.002","90","","2939.7","0.7","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H47 Cl N2 Pd -","- C30 H47 Cl N2 Pd -","- C120 H188 Cl4 N8 Pd4 -","4","1","","Hu, Haibin; Chen, Darui; Gao, Haiyang; Zhong, Liu; Wu, Qing","Amine‒imine palladium catalysts for living polymerization of ethylene and copolymerization of ethylene with methyl acrylate: incorporation of acrylate units into the main chain and branch end","Polym. Chem.","2016","7","3","529","","10.1039/C5PY01743B","","","0.71073","MoKα","","0.0506","0.0308","","","0.0716","0.0807","","","","","","1.021","","","","has coordinates","176207","2020-10-21","18:00:00",""
"1540654","12.1356","0.0002","13.0597","0.0002","22.3007","0.0003","103.235","0.001","98.496","0.001","101.575","0.001","3300.29","0.09","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H62 B F24 N3 O0.5 Pd -","- C64 H62 B F24 N3 O0.5 Pd -","- C128 H124 B2 F48 N6 O Pd2 -","2","1","","Hu, Haibin; Chen, Darui; Gao, Haiyang; Zhong, Liu; Wu, Qing","Amine‒imine palladium catalysts for living polymerization of ethylene and copolymerization of ethylene with methyl acrylate: incorporation of acrylate units into the main chain and branch end","Polym. Chem.","2016","7","3","529","","10.1039/C5PY01743B","","","0.71073","MoKα","","0.0722","0.0706","","","0.178","0.1794","","","","","","1.069","","","","has coordinates,has disorder","176207","2020-10-21","18:00:00",""
"1540655","20.447","0.0001","20.447","0.0001","20.447","0.0001","90","","90","","90","","8548.48","0.07","100","2","100","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","[Cp2Co]3[In3(BTC)4]","","- C22 H14 Co In O8 -","- C22 H14 Co In O8 -","- C264 H168 Co12 In12 O96 -","12","0.25","","Grigoropoulos, Alexios; Whitehead, George F. S.; Perret, Noémie; Katsoulidis, Alexandros P.; Chadwick, F. Mark; Davies, Robert P.; Haynes, Anthony; Brammer, Lee; Weller, Andrew S.; Xiao, Jianliang; Rosseinsky, Matthew J.","Encapsulation of an organometallic cationic catalyst by direct exchange into an anionic MOF","Chem. Sci.","2016","7","3","2037","","10.1039/C5SC03494A","","","0.6889","synchrotron","","0.0362","0.0349","","","0.1184","0.1197","","","","","","1.188","","","","has coordinates,has disorder","177716","2020-10-21","18:00:00",""
"1540656","20.4031","0.0002","20.4031","0.0002","20.4031","0.0002","90","","90","","90","","8493.53","0.14","100","2","100","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","[(Cp2Co)x(TEA)3-x][In3(BTC)4]","","- C12 H4 Co0.28 In O8 -","- C12 H4 Co0.282 In O8 -","- C144 H48 Co3.384 In12 O96 -","12","0.25","","Grigoropoulos, Alexios; Whitehead, George F. S.; Perret, Noémie; Katsoulidis, Alexandros P.; Chadwick, F. Mark; Davies, Robert P.; Haynes, Anthony; Brammer, Lee; Weller, Andrew S.; Xiao, Jianliang; Rosseinsky, Matthew J.","Encapsulation of an organometallic cationic catalyst by direct exchange into an anionic MOF","Chem. Sci.","2016","7","3","2037","","10.1039/C5SC03494A","","x-ray","0.71073","MoKα","","0.0651","0.0627","","","0.1998","0.2013","","","","","","1.243","","","","has coordinates","177716","2020-10-21","18:00:00",""
"1540657","38.0429","0.0009","5.96446","0.00015","19.5829","0.0005","90","","120.924","0.0007","90","","3811.83","0.17","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H23 F2 N O5 S -","- C17 H23 F2 N O5 S -","- C136 H184 F16 N8 O40 S8 -","8","1","","Saidalimu, Ibrayim; Suzuki, Shugo; Tokunaga, Etsuko; Shibata, Norio","Successive C‒C bond cleavage, fluorination, trifluoromethylthio- and pentafluorophenylthiolation under metal-free conditions to provide compounds with dual fluoro-functionalization","Chem. Sci.","2016","7","3","2106","","10.1039/C5SC04208A","","","0.71075","MoKα","","","0.0484","","","","0.1951","","","","","","1.411","","","","has coordinates","177719","2020-10-21","18:00:00",""
"1540658","8.1328","0.0003","19.0087","0.0006","10.727","0.0004","90","","104.653","0.0009","90","","1604.39","0.1","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 F4 O5 S -","- C14 H14 F4 O5 S -","- C56 H56 F16 O20 S4 -","4","1","","Saidalimu, Ibrayim; Suzuki, Shugo; Tokunaga, Etsuko; Shibata, Norio","Successive C–C bond cleavage, fluorination, trifluoromethylthio- and pentafluorophenylthiolation under metal-free conditions to provide compounds with dual fluoro-functionalization","Chem. Sci.","2016","7","3","2106","","10.1039/C5SC04208A","","","0.71075","MoKα","","","0.0408","","","","0.1568","","","","","","1.268","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540659","56.36","0.02","9.525","0.003","42.145","0.018","90","","119.716","0.008","90","","19649","13","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104.2 H58 F20 N8 O1.45 S4 -","- C104.2 H58 F20 N8 O1.45 S4 -","- C833.6 H464 F160 N64 O11.6 S32 -","8","1","","Oh, Juwon; Mori, Hirotaka; Sung, Young Mo; Kim, Woojae; Osuka, Atsuhiro; Kim, Dongho","Switchable π-electronic network of bis(α-oligothienyl)-substituted hexaphyrins between helical versus rectangular circuit","Chem. Sci.","2016","7","3","2239","","10.1039/C5SC04263A","","","1.54187","CuKα","","0.2087","0.0988","","","0.2639","0.3403","","","","","","1.066","","","","has coordinates,has disorder","177724","2020-10-21","18:00:00",""
"1540660","10.2568","0.0009","19.4457","0.0018","15.3511","0.0014","90","","107.575","0.0012","90","","2918.9","0.5","88","2","88","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 N2 Ni O2 -","- C32 H44 N2 Ni O2 -","- C128 H176 N8 Ni4 O8 -","4","1","","Cameron, Lindsay A.; Ziller, Joseph W.; Heyduk, Alan F.","Near-IR absorbing donor–acceptor ligand-to-ligand charge-transfer complexes of nickel(ii)","Chem. Sci.","2016","7","3","1807","","10.1039/C5SC02703A","","","0.71073","MoKα","","0.0505","0.0337","","","0.0731","0.0794","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540661","15.7714","0.001","17.0164","0.0011","18.6084","0.0012","90","","90","","90","","4994","0.6","143","2","143","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C56 H73 N3 Ni O -","- C56 H73 N3 Ni O -","- C224 H292 N12 Ni4 O4 -","4","1","","Cameron, Lindsay A.; Ziller, Joseph W.; Heyduk, Alan F.","Near-IR absorbing donor–acceptor ligand-to-ligand charge-transfer complexes of nickel(ii)","Chem. Sci.","2016","7","3","1807","","10.1039/C5SC02703A","","","0.71073","MoKα","","0.0531","0.0387","","","0.0789","0.0839","","","","","","1.024","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540662","10.3735","0.0005","18.252","0.0008","24.6774","0.0011","90","","97.1921","0.0006","90","","4635.6","0.4","88","2","88","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H65 N3 Ni O2 -","- C54 H65 N3 Ni O2 -","- C216 H260 N12 Ni4 O8 -","4","1","","Cameron, Lindsay A.; Ziller, Joseph W.; Heyduk, Alan F.","Near-IR absorbing donor–acceptor ligand-to-ligand charge-transfer complexes of nickel(ii)","Chem. Sci.","2016","7","3","1807","","10.1039/C5SC02703A","","","0.71073","MoKα","","0.0384","0.0312","","","0.0753","0.0795","","","","","","1.022","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540680","13.593","0.005","17.194","0.005","18.45","0.005","99.319","0.005","100.076","0.005","107.842","0.005","3933","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H52 Cl14 Co N6 S2 -","- C42 H24 Co N6 S2 -","- C84 H48 Co2 N12 S4 -","2","1","","Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan","Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework","Chem. Sci.","2016","7","3","2286","","10.1039/C5SC04461H","","","0.71073","MoKα","","0.1824","0.1485","","","0.3876","0.4104","","","","","","1.483","","","","has coordinates","177713","2020-10-21","18:00:00",""
"1540681","13.593","0.005","17.194","0.005","18.45","0.005","99.319","0.005","100.076","0.005","107.842","0.005","3933","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H52 Cl14 Co N6 S2 -","- C78 H48 Cl12 Co N6 S2 -","- C156 H96 Cl24 Co2 N12 S4 -","2","1","","Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan","Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework","Chem. Sci.","2016","7","3","2286","","10.1039/C5SC04461H","","","0.71073","MoKα","","0.2422","0.2181","","","0.5409","0.5584","","","","","","2.434","","","","has coordinates","177713","2020-10-21","18:00:00",""
"1540682","13.8432","0.0009","20.8218","0.0009","14.0803","0.0006","90","","96.987","0.003","90","","4028.4","0.4","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C94 H72 Co N6 O4 S10 -","- C42 H24 Co N6 S2 -","- C84 H48 Co2 N12 S4 -","2","0.25","","Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan","Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework","Chem. Sci.","2016","7","3","2286","","10.1039/C5SC04461H","","","0.71073","MoKα","","0.0738","0.0697","","","0.2019","0.2056","","","","","","1.073","","","","has coordinates","177713","2020-10-21","18:00:00",""
"1540683","13.8432","0.0009","20.8218","0.0009","14.0803","0.0006","90","","96.987","0.003","90","","4028.4","0.4","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C94 H72 Co N6 O4 S10 -","- C67 H32 Co N6 S6 -","- C134 H64 Co2 N12 S12 -","2","0.25","","Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan","Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework","Chem. Sci.","2016","7","3","2286","","10.1039/C5SC04461H","","","0.71073","MoKα","","0.1426","0.1372","","","0.3916","0.4001","","","","","","1.572","","","","has coordinates","177713","2020-10-21","18:00:00",""
"1540684","31.601","0.004","21.039","0.004","27.275","0.005","90","","121.629","0.011","90","","15440","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H72 Co N6 S2 -","- C42 H24 Co N6 S2 -","- C336 H192 Co8 N48 S16 -","8","1","","Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan","Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework","Chem. Sci.","2016","7","3","2286","","10.1039/C5SC04461H","","","0.71073","MoKα","","0.1581","0.0872","","","0.2189","0.2372","","","","","","1.054","","","","has coordinates","177713","2020-10-21","18:00:00",""
"1540685","31.601","0.004","21.039","0.004","27.275","0.005","90","","121.629","0.011","90","","15440","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H72 Co N6 S2 -","- C70 H56 Co N6 S2 -","- C560 H448 Co8 N48 S16 -","8","1","","Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan","Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework","Chem. Sci.","2016","7","3","2286","","10.1039/C5SC04461H","","","0.71073","MoKα","","0.2071","0.1359","","","0.3739","0.4006","","","","","","1.207","","","","has coordinates","177713","2020-10-21","18:00:00",""
"1540686","11.653","0.004","13.567","0.006","13.662","0.006","94.5","0.02","94.78","0.02","111.12","0.02","1994.1","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H64 Co N14 S2 -","- C42 H24 Co N6 S2 -","- C42 H24 Co N6 S2 -","1","0.5","","Vallejo, Julia; Fortea-Pérez, Francisco R.; Pardo, Emilio; Benmansour, Samia; Castro, Isabel; Krzystek, J.; Armentano, Donatella; Cano, Joan","Guest-dependent single-ion magnet behaviour in a cobalt(ii) metal‒organic framework","Chem. Sci.","2016","7","3","2286","","10.1039/C5SC04461H","","","0.71073","MoKα","","0.2098","0.1702","","","0.383","0.4078","","","","","","1.884","","","","has coordinates","177713","2020-10-21","18:00:00",""
"1540695","11.045","0.002","12.916","0.003","14.84","0.003","90","","111.48","0.03","90","","1970","0.8","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(4-fluoro-3-oxoisochroman-4-yl)-N-(phenylsulfonyl)benzenesulfonamide","","- C21 H16 F N O6 S2 -","- C21 H16 F N O6 S2 -","- C84 H64 F4 N4 O24 S8 -","4","1","","Chen, Gui; Song, Jinshuai; Yu, Yinghua; Luo, Xuesong; Li, Chunsen; Huang, Xueliang","Aminofluorination: transition-metal-free N–F bond insertion into diazocarbonyl compounds","Chem. Sci.","2016","7","3","1786","","10.1039/C5SC04237B","","","0.71073","MoKα","","0.0945","0.0556","","","0.1238","0.1473","","","","","","1.003","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540697","8.1717","0.0003","24.8088","0.001","11.6477","0.0005","90","","94.354","0.004","90","","2354.52","0.16","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-Dy","","- C27 H34 As Dy -","- C27 H34 As Dy -","- C108 H136 As4 Dy4 -","4","1","","Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A.","Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets","Chem. Sci.","2016","7","3","2128","","10.1039/C5SC03755G","","","0.71073","MoKα","","0.0302","0.0252","","","0.0516","0.0545","","","","","","1.05","","","","has coordinates,has disorder","177714","2020-10-21","18:00:00",""
"1540698","14.9242","0.0003","18.6105","0.0004","23.7155","0.0005","90","","103.461","0.002","90","","6406","0.2","150","","150","","","","","","","","","4","C 1 c 1","C -2yc","9","","2-Dy","","- C70 H83 As3 Dy3 -","- C70 H83 As3 Dy3 -","- C280 H332 As12 Dy12 -","4","1","","Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A.","Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets","Chem. Sci.","2016","7","3","2128","","10.1039/C5SC03755G","","","0.71073","MoKα","","0.043","0.0384","","","0.0894","0.1035","","","","","","1.117","","","","has coordinates","177714","2020-10-21","18:00:00",""
"1540699","22.451","0.0004","15.8357","0.0003","28.0477","0.0005","90","","95.47","0.002","90","","9926.3","0.3","150.01","0.11","150.01","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-Dy","","- C99 H147 As3 Dy3 Li3 O9 -","- C99 H147 As3 Dy3 Li3 O9 -","- C396 H588 As12 Dy12 Li12 O36 -","4","1","","Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A.","Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets","Chem. Sci.","2016","7","3","2128","","10.1039/C5SC03755G","","","0.71073","MoKα","","0.0374","0.0303","","","0.0622","0.0648","","","","","","1.102","","","","has coordinates,has disorder","177714","2020-10-21","18:00:00",""
"1540700","14.8845","0.0013","18.4953","0.0014","23.4214","0.0018","90","","103.098","0.008","90","","6280","0.9","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","4-Dy","","- C70 H83 Dy3 Se3 -","- C70 H83 Dy3 Se3 -","- C280 H332 Dy12 Se12 -","4","1","","Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A.","Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets","Chem. Sci.","2016","7","3","2128","","10.1039/C5SC03755G","","","0.71073","MoKα","","0.0512","0.0401","","","0.0806","0.087","","","","","","1.021","","","","has coordinates","177714","2020-10-21","18:00:00",""
"1540701","14.9029","0.0001","18.4253","0.0001","23.423","0.0002","90","","103.035","0.001","90","","6266","0.08","100","","100","","","","","","","","","4","C 1 c 1","C -2yc","9","","4-Y","","- C70 H83 Se3 Y3 -","- C70 H83 Se3 Y3 -","- C280 H332 Se12 Y12 -","4","1","","Pugh, Thomas; Vieru, Veacheslav; Chibotaru, Liviu F.; Layfield, Richard A.","Magneto-structural correlations in arsenic- and selenium-ligated dysprosium single-molecule magnets","Chem. Sci.","2016","7","3","2128","","10.1039/C5SC03755G","","","1.54178","CuKα","","0.0225","0.0224","","","0.0582","0.0582","","","","","","1.076","","","","has coordinates","177714","2020-10-21","18:00:00",""
"1540707","24.4634","0.0019","6.1982","0.0004","25.443","0.002","90","","90","","90","","3857.9","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","hd_bam","hd_bam_0ma","","- C21 H16 F2 N4 O4 -","- C21 H16 F2 N4 O4 -","- C168 H128 F16 N32 O32 -","8","1","","Dang, Hester; Whittaker, Aaron M.; Lalic, Gojko","Catalytic activation of a single C–F bond in trifluoromethyl arenes","Chem. Sci.","2016","7","1","505","","10.1039/C5SC03415A","","","0.71073","MoKα","","0.1047","0.0487","","","0.0925","0.1112","","","","","","1.003","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540708","23.597","0.003","14.073","0.002","19.874","0.003","90","","93.283","0.002","90","","6588.9","1.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H38 Cs3 O6 -","- C32 H38 Cs3 O6 -","- C256 H304 Cs24 O48 -","8","1","","Zabula, Alexander V.; Spisak, Sarah N.; Filatov, Alexander S.; Rogachev, Andrey Yu.; Clérac, Rodolphe; Petrukhina, Marina A.","Supramolecular trap for a transient corannulene trianion","Chem. Sci.","2016","7","3","1954","","10.1039/C5SC04385A","","","0.71073","Mo-Kα","","0.0598","0.0449","","","0.0978","0.1052","","","","","","1.09","","","","has coordinates","177723","2020-10-21","18:00:00",""
"1540715","28.4784","0.0007","28.4784","0.0007","13.6334","0.0004","90","","90","","90","","11057","0.5","200.01","0.1","200.01","0.1","","","","","","","","5","I 41/a","-I 4ad","88","","Sr-NDI","","- C44 H44 N4 O23 Sr2 -","- C44 H44 N4 O23 Sr2 -","- C352 H352 N32 O184 Sr16 -","8","","","Garai, Bikash; Mallick, Arijit; Banerjee, Rahul","Photochromic metal‒organic frameworks for inkless and erasable printing","Chem. Sci.","2016","7","3","2195","","10.1039/C5SC04450B","","x-ray","0.71073","MoKα","","0.181","0.1393","","","0.3624","0.3919","","","","","","0.93","","","","has coordinates","177715","2020-10-21","18:00:00",""
"1540716","7.645","0.005","11.246","0.005","12.326","0.005","95.39","0.005","105.282","0.005","93.459","0.005","1013.7","0.9","327","2","327","2","","","","","","","","7","P -1","-P 1","2","","DSF","","- C17 H19 F6 N2 O P S2 -","- C17 H19 F6 N2 O P S2 -","- C34 H38 F12 N4 O2 P2 S4 -","2","1","","Li, Dandan; Tian, Xiaohe; Wang, Aidong; Guan, Lijuan; Zheng, Jun; Li, Fei; Li, Shengli; Zhou, Hongping; Wu, Jieying; Tian, Yupeng","Nucleic acid-selective light-up fluorescent biosensors for ratiometric two-photon imaging of the viscosity of live cells and tissues","Chem. Sci.","2016","7","3","2257","","10.1039/C5SC03956H","","","0.71069","MoKα","","0.0943","0.0733","","","0.2026","0.2238","","","","","","1.042","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540719","9.617","0.011","16.2","0.019","37.85","0.05","90","","90","","90","","5897","12","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","chemosensor S2","","- C61 H44 Cl3 N7 O11 -","- C61 H44 Cl3 N7 O11 -","- C244 H176 Cl12 N28 O44 -","4","1","","Akdeniz, Ali; Minami, Tsuyoshi; Watanabe, Sagiri; Yokoyama, Maki; Ema, Tadashi; Anzenbacher, Pavel","Determination of enantiomeric excess of carboxylates by fluorescent macrocyclic sensors","Chem. Sci.","2016","7","3","2016","","10.1039/C5SC04235F","","","0.71075","MoKα","","0.2332","0.1267","","","0.2376","0.2814","","","","","","1.369","","","","has coordinates","177727","2020-10-21","18:00:00",""
"1540747","15.0884","0.0011","31.4527","0.0015","18.2241","0.0014","90","","104.352","0.007","90","","8378.7","1","100","0.3","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C75.66 H95.66 B2 Cl10.97 F8 N8 Ni2 -","- C75.657 H95.657 B2 Cl10.971 F8 N8 Ni2 -","- C302.628 H382.628 B8 Cl43.884 F32 N32 Ni8 -","4","1","","Wicht, Richard; Bahnmüller, Stefanie; Brandhorst, Kai; Schweyen, Peter; Bröring, Martin","Cationic nickel porphyrinoids with unexpected reactivity","Chem. Sci.","2016","7","1","583","","10.1039/C5SC03663A","","","1.54184","CuKα","","0.0946","0.066","","","0.165","0.1844","","","","","","1.028","","","","has coordinates,has disorder","171863","2020-10-21","18:00:00",""
"1540748","9.666","0.0004","17.7362","0.0008","17.9259","0.0007","90","","104.302","0.002","90","","2977.9","0.2","100.08","","100.08","","","","","","","","","6","P 1 n 1","P -2yac","7","[(18-crown-6)K]2[Fe(C3S5)2]","","","- C42 H72 Fe K2 O15 S10 -","- C42 H72 Fe K2 O15 S10 -","- C84 H144 Fe2 K4 O30 S20 -","2","1","","Zadrozny, Joseph M.; Greer, Samuel M.; Hill, Stephen; Freedman, Danna E.","A flexible iron(ii) complex in which zero-field splitting is resistant to structural variation","Chem. Sci.","2016","7","1","416","","10.1039/C5SC02477C","","","0.71073","MoKα","","0.0425","0.0329","","","0.0852","0.1227","","","","","","1.158","","","","has coordinates,has disorder","301779","2025-08-18","16:06:43",""
"1540749","9.5532","0.0003","16.9392","0.0006","19.2199","0.0007","64.7735","0.0007","78.6184","0.0008","78.0782","0.0008","2731.85","0.16","100","","100","","","","","","","","","6","P -1","-P 1","2","(Ph4P)2[Fe(dmit)2](MeCN)","","","- C56 H43 Fe N P2 S10 -","- C56 H43 Fe N P2 S10 -","- C112 H86 Fe2 N2 P4 S20 -","2","1","","Zadrozny, Joseph M.; Greer, Samuel M.; Hill, Stephen; Freedman, Danna E.","A flexible iron(ii) complex in which zero-field splitting is resistant to structural variation","Chem. Sci.","2016","7","1","416","","10.1039/C5SC02477C","","","0.71073","MoKα","","0.033","0.0252","","","0.0574","0.0611","","","","","","1.033","","","","has coordinates,has disorder","171864","2020-10-21","18:00:00",""
"1540750","8.573","0.0005","32.0602","0.0017","17.6411","0.0009","90","","98.509","0.003","90","","4795.3","0.5","100","2","100.03","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Bu4N)2[Fe(C3S5)2]","","","- C38 H72 Fe N2 S10 -","- C38 H72 Fe N2 S10 -","- C152 H288 Fe4 N8 S40 -","4","1","","Zadrozny, Joseph M.; Greer, Samuel M.; Hill, Stephen; Freedman, Danna E.","A flexible iron(ii) complex in which zero-field splitting is resistant to structural variation","Chem. Sci.","2016","7","1","416","","10.1039/C5SC02477C","","","0.71073","MoKα","","0.0451","0.0334","","","0.0772","0.0841","","","","","","1.094","","","","has coordinates","171864","2020-10-21","18:00:00",""
"1540845","4.165","","4.165","","4.165","","90","","90","","90","","72.251","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","U O3","","- O3 U -","- O3 U -","- O3 U -","1","0.0208333","","Weller, M.T.; Penny, D.J.; Dickens, P.G.","The structure of delta - U O3","Polyhedron","1988","7","","243","244","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540855","3.823","","3.823","","28.20999","","90","","90","","90","","412.298","","","","","","","","","","","","","6","I 4/m m m","-I 4 2","139","","(Nd1.5 Ce0.5) Sr2 Cu2 Mn O9","","- Ce0.5 Cu2 Mn Nd1.5 O9 Sr2 -","- Ce0.5 Cu2.0001 Mn0.9999 Nd1.5 O9 Sr2 -","- Ce Cu4.0002 Mn1.9998 Nd3 O18 Sr4 -","2","0.0625","","Wu, X.; Qian, Y.; Chen, Z.","Synthesis and structure character of (Nd Ce)2 Sr2 Cu2 Mn O10-d","Huaxue Yanjiu Yu Yingyong (Chem. Research and Application)","1995","7","","308","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540863","24.8482","","24.8482","","24.8482","","90","","90","","90","","15342.1","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Sr26.56 Si136.5 Al55.5 O384","","- Al55.5 O384 Si136.5 Sr26.56 -","- Al55.5072 O384 Si136.493 Sr26.56 -","- Al55.5072 O384 Si136.493 Sr26.56 -","1","0.00520833","","van Dun, J.J.; Mortier, W.J.","Influence of the temperature on the cation distribution in dehydrated and hydrated SrY zeolites","Zeolites","1987","7","","528","534","","","","","","","","","","","","","","","","","","","","","","has coordinates","172025","2020-10-21","18:00:00",""
"1540864","24.8482","","24.8482","","24.8482","","90","","90","","90","","15342.1","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Sr11.20 Si136.5 Al55.5 O384 (H2 O)40","","- Al55.5 H80 O424 Si136.5 Sr11.2 -","- Al55.5072 O416 Si136.493 Sr11.2 -","- Al55.5072 O416 Si136.493 Sr11.2 -","1","0.00520833","","van Dun, J.J.; Mortier, W.J.","Influence of the temperature on the cation distribution in dehydrated and hydrated SrY zeolites","Zeolites","1987","7","","528","534","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540865","24.8482","","24.8482","","24.8482","","90","","90","","90","","15342.1","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Sr26.24 Si136.5 Al55.5 O384 (H2 O)34.88","","- Al55.5 H69.76 O418.88 Si136.5 Sr26.24 -","- Al55.5072 O410.88 Si136.493 Sr26.24 -","- Al55.5072 O410.88 Si136.493 Sr26.24 -","1","0.00520833","","van Dun, J.J.; Mortier, W.J.","Influence of the temperature on the cation distribution in dehydrated and hydrated SrY zeolites","Zeolites","1987","7","","528","534","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540866","24.8482","","24.8482","","24.8482","","90","","90","","90","","15342.1","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","Sr26.08 Si136.5 Al55.5 O384 (H2 O)16.64","","- Al55.5 H33.28 O400.64 Si136.5 Sr26.08 -","- Al55.5072 O392.64 Si136.493 Sr26.08 -","- Al55.5072 O392.64 Si136.493 Sr26.08 -","1","0.00520833","","van Dun, J.J.; Mortier, W.J.","Influence of the temperature on the cation distribution in dehydrated and hydrated SrY zeolites","Zeolites","1987","7","","528","534","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541045","22.418","","22.418","","22.418","","90","","90","","90","","11266.5","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Si (P2 O7)","","- O7 P2 Si -","- O7 P2 Si -","- O756 P216 Si108 -","108","4.5","","Tillmanns, E.; Baur, W.H.; Gebert, W.","Computer simulation of crystal structures applied to the solution of the superstructure of cubic silicondiphosphate","Journal of Solid State Chemistry","1973","7","","69","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541308","8.8475","","8.8475","","8.8475","","90","","90","","90","","692.567","","","","","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","Na6.03 (Ga5.33 Si6.67 O24) (O H).7 (H2 O)7.3","","- Ga5.33 H15.3 Na6.03 O32 Si6.67 -","- Ga5.34 H15.2976 Na6.032 O32 Si6.66 -","- Ga5.34 H15.2976 Na6.032 O32 Si6.66 -","1","0.0416667","","Newsam, J.M.; Jorgensen, J.D.","Gallosilicate sodalite - further syntheses and structural details","Zeolites","1987","7","","569","573","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541444","4.236","","4.236","","4.236","","90","","90","","90","","76.009","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li.065 Co.935 O","","- Co0.935 Li0.065 O -","- Co0.935 Li0.065 O -","- Co3.74 Li0.26 O4 -","4","0.0208333","","Johnston, W.D.; Heikes, R.R.; Sestrich, D.E.","The Preparation, Crystallography, and Magnetic Properties of the Lix Co1-x O System","Journal of Physics and Chemistry of Solids","1958","7","","1","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541446","4.216","","4.216","","4.216","","90","","90","","90","","74.938","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li.115 Co.885 O","","- Co0.885 Li0.115 O -","- Co0.885 Li0.115 O -","- Co3.54 Li0.46 O4 -","4","0.0208333","","Johnston, W.D.; Heikes, R.R.; Sestrich, D.E.","The Preparation, Crystallography, and Magnetic Properties of the Lix Co1-x O System","Journal of Physics and Chemistry of Solids","1958","7","","1","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541448","4.212","","4.212","","4.212","","90","","90","","90","","74.725","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li.125 Co.875 O","","- Co0.875 Li0.125 O -","- Co0.875 Li0.125 O -","- Co3.5 Li0.5 O4 -","4","0.0208333","","Johnston, W.D.; Heikes, R.R.; Sestrich, D.E.","The Preparation, Crystallography, and Magnetic Properties of the Lix Co1-x O System","Journal of Physics and Chemistry of Solids","1958","7","","1","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541449","4.206","","4.206","","4.206","","90","","90","","90","","74.406","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li.14 Co.86 O","","- Co0.86 Li0.14 O -","- Co0.86 Li0.14 O -","- Co3.44 Li0.56 O4 -","4","0.0208333","","Johnston, W.D.; Heikes, R.R.; Sestrich, D.E.","The Preparation, Crystallography, and Magnetic Properties of the Lix Co1-x O System","Journal of Physics and Chemistry of Solids","1958","7","","1","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541450","4.185","","4.185","","4.185","","90","","90","","90","","73.297","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li.185 Co.815 O","","- Co0.815 Li0.185 O -","- Co0.815 Li0.185 O -","- Co3.26 Li0.74 O4 -","4","0.0208333","","Johnston, W.D.; Sestrich, D.E.; Heikes, R.R.","The Preparation, Crystallography, and Magnetic Properties of the Lix Co1-x O System","Journal of Physics and Chemistry of Solids","1958","7","","1","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541451","4.174","","4.174","","4.174","","90","","90","","90","","72.721","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li.210 Co.790 O","","- Co0.79 Li0.21 O -","- Co0.79 Li0.21 O -","- Co3.16 Li0.84 O4 -","4","0.0208333","","Johnston, W.D.; Heikes, R.R.; Sestrich, D.E.","The Preparation, Crystallography, and Magnetic Properties of the Lix Co1-x O System","Journal of Physics and Chemistry of Solids","1958","7","","1","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541597","8.3","","8.3","","8.3","","90","","90","","90","","571.787","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Cu Mn2 O4 -","- Cu Mn2 O4 -","- Cu8 Mn16 O32 -","8","0.0416667","","Zaslavskii, A.I.; Karachentseva, Z.V.; Zharinova, A.I.","The cation disposition in the spinel Cu Mn2 O4","Kristallografiya","1962","7","","835","843","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541621","7.908","","7.908","","7.908","","90","","90","","90","","494.538","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Sr2 Ni (W O6)","","- Ni O6 Sr2 W -","- Ni O6 Sr2 W -","- Ni4 O24 Sr8 W4 -","4","0.0208333","","Kupriyanov, M.F.; Fesenko, E.G.","X-ray structural studies of phase transitions in perovskite-type compounds","Kristallografiya","1962","7","","451","453","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541622","7.904","","7.904","","7.904","","90","","90","","90","","493.788","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Sr2 Co (W O6)","","- Co O6 Sr2 W -","- Co O6 Sr2 W -","- Co4 O24 Sr8 W4 -","4","0.0208333","","Kupriyanov, M.F.; Fesenko, E.G.","X-ray structural studies of phase transitions in perovskite-type compounds","Kristallografiya","1962","7","","451","453","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541623","7.956","","7.956","","7.956","","90","","90","","90","","503.598","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Sr2 Zn (W O6)","","- O6 Sr2 W Zn -","- O6 Sr2 W Zn -","- O24 Sr8 W4 Zn4 -","4","0.0208333","","Kupriyanov, M.F.; Fesenko, E.G.","X-ray structural studies of phase transitions in perovskite-type compounds","Kristallografiya","1962","7","","451","453","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541624","7.878","","7.878","","7.878","","90","","90","","90","","488.931","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Sr2 Ni (Mo O6)","","- Mo Ni O6 Sr2 -","- Mo Ni O6 Sr2 -","- Mo4 Ni4 O24 Sr8 -","4","0.0208333","","Kupriyanov, M.F.; Fesenko, E.G.","X-ray structural studies of phase transitions in perovskite-type compounds","Kristallografiya","1962","7","","451","453","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541625","7.918","","7.918","","7.918","","90","","90","","90","","496.417","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Sr2 Co (Mo O6)","","- Co Mo O6 Sr2 -","- Co Mo O6 Sr2 -","- Co4 Mo4 O24 Sr8 -","4","0.0208333","","Kupriyanov, M.F.; Fesenko, E.G.","X-ray structural studies of phase transitions in perovskite-type compounds","Kristallografiya","1962","7","","451","453","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541626","7.954","","7.954","","7.954","","90","","90","","90","","503.219","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Sr2 Zn (Mo O6)","","- Mo O6 Sr2 Zn -","- Mo O6 Sr2 Zn -","- Mo4 O24 Sr8 Zn4 -","4","0.0208333","","Kupriyanov, M.F.; Fesenko, E.G.","X-ray structural studies of phase transitions in perovskite-type compounds","Kristallografiya","1962","7","","451","453","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541658","10.096","","16.752","","9.762","","95.15","","95.22","","91","","1637","","","","","","","","","","","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","K4 Th (S O4)4 (H2 O)2","","- H4 K4 O18 S4 Th -","- K4 O18 S4 Th -","- K16 O72 S16 Th4 -","4","","","Arutyunyan, E.G.; Porai-Koshits, M.A.; Molodkin, A.K.","Structure of crystals of K4 (Th (S O4)4 (H2 O)2)","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1966","7","","733","737","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541695","12.219","","10.574","","13.986","","90","","103.61","","90","","1756.3","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Cd S O3)2 (H2 O)3","","- Cd2 H6 O9 S2 -","- Cd2 O9 S2 -","- Cd16 O72 S16 -","8","2","","Kiers, C.T.; Vos, A.","Cadmium sulfite hydrate 2 Cd S O3 * 3 H2 O","Crystal Structure Communications","1978","7","","399","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541796","8.938","","8.938","","8.938","","90","","90","","90","","714.038","","","","","","","","","","","","","3","I -4 3 m","I -4 2 3","217","","K (I O3)","","- I K O3 -","- I K O3 -","- I8 K8 O24 -","8","0.166667","","Ozerov, R.P.; Rannev, N.V.; Pakhomov, V.I.; Rez, I.S.; Zhdanov, G.S.","The structure of K I O3 at room temperature","Kristallografiya","1962","7","","620","622","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541851","2.89","","2.89","","23.35","","90","","90","","120","","168.894","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","W7.08 N6","","- N6 W7.08 -","- N6 W7.08 -","- N6 W7.08 -","1","0.0277778","","Khitrova, V.I.","The chemical christallography of rhombohedral tungsten nitride II in relation to other nitrides","Kristallografiya","1962","7","","374","378","","","","","","","","","","","","","","","","","","","","","","has coordinates","173388","2020-10-21","18:00:00",""
"1541883","7.2942","0.0011","12.3961","0.0018","13.909","0.002","90","","90","","90","","1257.6","0.3","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O4 -","- C14 H22 O4 -","- C56 H88 O16 -","4","1","","Guo, Jing; Liu, Yangbin; Li, Xiangqiang; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Nickel(ii)-catalyzed enantioselective cyclopropanation of 3-alkenyl-oxindoles with phenyliodonium ylide via free carbene","Chem. Sci.","2016","7","4","2717","","10.1039/C5SC03658E","","","0.71073","MoKα","","0.0328","0.0308","","","0.0738","0.0751","","","","","","1.024","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541884","10.52245","0.00015","10.52245","0.00015","48.9522","0.0016","90","","90","","90","","5420.1","0.2","293","","293","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C24 H28 I N O9 -","- C24 H28 I N O9 -","- C192 H224 I8 N8 O72 -","8","1","","Guo, Jing; Liu, Yangbin; Li, Xiangqiang; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Nickel(ii)-catalyzed enantioselective cyclopropanation of 3-alkenyl-oxindoles with phenyliodonium ylide via free carbene","Chem. Sci.","2016","7","4","2717","","10.1039/C5SC03658E","","x-ray","1.54184","CuKα","","0.0679","0.0614","","","0.1629","0.1685","","","","","","1.037","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541885","9.3038","0.0005","14.9607","0.0008","16.6489","0.0009","90","","91.195","0.002","90","","2316.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H35 Au N O P -","- C23 H35 Au N O P -","- C92 H140 Au4 N4 O4 P4 -","4","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.0281","0.0203","","","0.04","0.0426","","","","","","1.023","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1541886","10.7215","0.0007","13.536","0.0007","19.0499","0.0012","90","","90","","90","","2764.6","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H43 Au N O P -","- C28 H43 Au N O P -","- C112 H172 Au4 N4 O4 P4 -","4","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.0378","0.0358","","","0.0658","0.0666","","","","","","1.321","","","","has coordinates","177722","2020-10-21","18:00:00",""
"1541887","9.1985","0.0007","15.0111","0.0011","16.6696","0.0013","90","","90.736","0.003","90","","2301.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H35 Cu N O P -","- C23 H35 Cu N O P -","- C92 H140 Cu4 N4 O4 P4 -","4","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","1.54178","CuKα","","0.0261","0.0255","","","0.0684","0.0689","","","","","","1.05","","","","has coordinates","177722","2020-10-21","18:00:00",""
"1541888","23.2392","0.0006","23.2392","0.0006","27.9791","0.001","90","","90","","120","","13086","0.7","100","2","100","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C81 H129 Au3 N3 P -","- C81 H129 Au3 N3 P -","- C486 H774 Au18 N18 P6 -","6","0.333333","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.0477","0.0384","","","0.0868","0.0899","","","","","","1.027","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1541889","12.6627","0.0014","16.2794","0.0015","23.264","0.003","90","","98.409","0.003","90","","4744.1","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H79 Cu N5 O P -","- C49 H79 Cu N5 O P -","- C196 H316 Cu4 N20 O4 P4 -","4","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.1331","0.0632","","","0.1133","0.1379","","","","","","1.029","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1541890","9.4619","0.0004","13.4134","0.0006","16.9001","0.0008","90","","101.411","0.002","90","","2102.5","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H70 Cu N2 O2 P -","- C46 H70 Cu N2 O2 P -","- C92 H140 Cu2 N4 O4 P2 -","2","0.5","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir–η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.1097","0.0893","","","0.2022","0.2121","","","","","","1.249","","","warnings","has coordinates","297460","2025-01-24","09:27:02",""
"1541891","14.7478","0.0002","14.7478","0.0002","40.2121","0.001","90","","90","","90","","8746","0.3","100","2","100","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C46 H43 Au B F15 N O P -","- C46 H43 Au B F15 N O P -","- C368 H344 Au8 B8 F120 N8 O8 P8 -","8","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.0593","0.0437","","","0.0894","0.0952","","","","","","1.131","","","","has coordinates","177722","2020-10-21","18:00:00",""
"1541892","26.7657","0.0013","16.5433","0.0013","21.479","0.0013","90","","107.104","0.003","90","","9090.1","1","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C96 H86 B2 Cu2 F30 N2 O2 P2 -","- C96 H86 B2 Cu2 F30 N2 O2 P2 -","- C384 H344 B8 Cu8 F120 N8 O8 P8 -","4","0.5","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.0527","0.0347","","","0.0868","0.1059","","","","","","1.098","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1541893","10.1044","0.0005","14.1614","0.0007","15.802","0.0007","111.476","0.004","93.948","0.004","104.766","0.004","2001.36","0.19","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","iPr(PDI)Co(PCO)","","- C42 H59 Co N3 O3 P -","- C42 H59 Co N3 O3 P -","- C84 H118 Co2 N6 O6 P2 -","2","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","x-ray","0.71073","MoKα","","0.0852","0.0712","","","0.1356","0.1417","","","","","","1.158","","","","has coordinates,has disorder","177722","2020-10-21","18:00:00",""
"1541894","13.7808","0.0013","12.3485","0.0016","16.5685","0.0019","90","","96.53","0.004","90","","2801.2","0.6","100","2","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[(MePDI)IrCO]2(μ-P2)","[(MePDI)IrCO]2(μ-P2)","","- C30 H35 Ir N3 O2 P -","- C30 H35 Ir N3 O2 P -","- C120 H140 Ir4 N12 O8 P4 -","4","1","","Liu, Liu; Ruiz, David A.; Dahcheh, Fatme; Bertrand, Guy; Suter, Riccardo; Tondreau, Aaron M.; Grützmacher, Hansjörg","Isolation of Au-, Co-η1PCO and Cu-η2PCO complexes, conversion of an Ir‒η1PCO complex into a dimetalladiphosphene, and an interaction-free PCO anion","Chem. Sci.","2016","7","3","2335","","10.1039/C5SC04504E","","","0.71073","MoKα","","0.0511","0.0321","","","0.0459","0.0471","","","","","","1.937","","","","has coordinates","177722","2020-10-21","18:00:00",""
"1541896","14.1613","0.0012","21.6112","0.0018","15.3855","0.0013","90","","114.339","0.0011","90","","4290.1","0.6","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40.05 H38.1 Cl2 Fe N10 O11.35 -","- C40.05 H38.1 Cl2 Fe N10 O11.35 -","- C160.2 H152.4 Cl8 Fe4 N40 O45.4 -","4","1","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.0902","0.0767","","","0.2215","0.2351","","","","","","1.05","","","","has coordinates,has disorder","301779","2025-08-18","16:06:43",""
"1541897","15.717","0.003","20.127","0.003","24.672","0.004","90","","90.353","0.01","90","","7804","2","250","2","250","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl2 Fe N10 O10 -","- C36 H30 Cl2 Fe N10 O10 -","- C288 H240 Cl16 Fe8 N80 O80 -","8","2","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.1998","0.1521","","","0.3468","0.3892","","","","","","1.136","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541898","14.165","0.005","21.596","0.008","15.414","0.006","90","","114.29","0.004","90","","4298","3","250","2","250","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39.75 H37.5 Cl2 Fe N10 O11.25 -","- C39.75 H37.5 Cl2 Fe N10 O11.25 -","- C159 H150 Cl8 Fe4 N40 O45 -","4","1","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.107","0.0771","","","0.2095","0.2322","","","","","","1.229","","","","has coordinates,has disorder","301779","2025-08-18","16:06:43",""
"1541899","15.679","0.012","20.102","0.015","24.601","0.018","90","","90.221","0.008","90","","7754","10","250","2","250","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl2 Fe N10 O10 -","- C36 H30 Cl2 Fe N10 O10 -","- C288 H240 Cl16 Fe8 N80 O80 -","8","2","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.1349","0.0696","","","0.1604","0.2093","","","","","","1.09","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541900","13.073","0.003","13.356","0.003","14.075","0.003","71.88","0.03","69.89","0.03","70.65","0.03","2122.8","1","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Cl2 Fe N10 O11 -","- C39 H36 Cl2 Fe N10 O11 -","- C78 H72 Cl4 Fe2 N20 O22 -","2","1","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.1147","0.0685","","","0.1821","0.2212","","","","","","1.045","","","","has coordinates,has disorder","301779","2025-08-18","16:06:43",""
"1541901","15.7","0.003","20.035","0.004","24.638","0.005","90","","90.45","0.03","90","","7750","3","250","2","250","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl2 Fe N10 O10 -","- C36 H30 Cl2 Fe N10 O10 -","- C288 H240 Cl16 Fe8 N80 O80 -","8","2","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.1344","0.0809","","","0.1908","0.2456","","","","","","1.065","","","","has coordinates,has disorder","301779","2025-08-18","16:06:43",""
"1541902","13.0297","0.0008","13.2995","0.0009","14.0177","0.0009","71.801","0.005","69.822","0.004","70.752","0.004","2097.8","0.2","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Cl2 Fe N10 O11 -","- C39 H36 Cl2 Fe N10 O11 -","- C78 H72 Cl4 Fe2 N20 O22 -","2","1","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.1228","0.1052","","","0.2974","0.3116","","","","","","1.174","","","","has coordinates,has disorder","181581","2020-10-21","18:00:00",""
"1541903","12.906","0.009","13.199","0.009","14.759","0.01","71.402","0.008","68.242","0.008","67.214","0.008","2107","3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Cl2 Fe N10 O11 -","- C39 H36 Cl2 Fe N10 O11 -","- C78 H72 Cl4 Fe2 N20 O22 -","2","1","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.1252","0.0819","","","0.2314","0.2632","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1541904","13.085","0.006","13.381","0.006","14.139","0.007","72.092","0.006","69.882","0.007","70.219","0.006","2135.6","1.7","260","2","260","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H36 Cl2 Fe N10 O11 -","- C39 H36 Cl2 Fe N10 O11 -","- C78 H72 Cl4 Fe2 N20 O22 -","2","1","","Aromí, G.; Beavers, C. M.; Sánchez Costa, J.; Craig, G. A.; Mínguez Espallargas, G.; Orera, A.; Roubeau, O.","Snapshots of a solid-state transformation: coexistence of three phases trapped in one crystal","Chem. Sci.","2016","7","4","2907","","10.1039/C5SC04287A","","","0.7749","synchrotron","","0.1404","0.0911","","","0.2534","0.2849","","","","","","1.077","","","","has coordinates,has disorder","301779","2025-08-18","16:06:43",""
"1541905","10.2264","0.0003","15.4589","0.0004","17.0819","0.0004","73.0848","0.0012","88.2081","0.0014","86.3652","0.0014","2578.2","0.12","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H60 Al F6 N3 O2 -","- C59 H60 Al F6 N3 O2 -","- C118 H120 Al2 F12 N6 O4 -","2","1","","Loewen, Natalia D.; Thompson, Emily J.; Kagan, Michael; Banales, Carolina L.; Myers, Thomas W.; Fettinger, James C.; Berben, Louise A.","A pendant proton shuttle on [Fe4N(CO)12]−alters product selectivity in formate vs. H2production via the hydride [H‒Fe4N(CO)12]−","Chem. Sci.","2016","7","4","2728","","10.1039/C5SC03169A","","","1.54178","CuKα","","0.0505","0.047","","","0.1258","0.1293","","","","","","1.02","","","","has coordinates","181583","2020-10-21","18:00:00",""
"1541906","11.2001","0.0002","12.4244","0.0002","18.0337","0.0003","101.41","0.0007","98.4568","0.0006","114.494","0.0007","2163.42","0.07","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H55 Al F3 N3 O -","- C51 H55 Al F3 N3 O -","- C102 H110 Al2 F6 N6 O2 -","2","1","","Loewen, Natalia D.; Thompson, Emily J.; Kagan, Michael; Banales, Carolina L.; Myers, Thomas W.; Fettinger, James C.; Berben, Louise A.","A pendant proton shuttle on [Fe4N(CO)12]−alters product selectivity in formate vs. H2production via the hydride [H‒Fe4N(CO)12]−","Chem. Sci.","2016","7","4","2728","","10.1039/C5SC03169A","","","1.54178","CuKα","","0.047","0.0404","","","0.1088","0.1136","","","","","","1.05","","","","has coordinates","181583","2020-10-21","18:00:00",""
"1541915","11.4437","0.0011","8.9623","0.0009","29.228","0.003","90","","94.705","0.002","90","","2987.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H56 Co N2 O4 -","- C80 H56 Co N2 O4 -","- C160 H112 Co2 N4 O8 -","2","0.5","","Díaz-Torres, Raúl; Menelaou, Melita; Roubeau, Olivier; Sorrenti, Alessandro; Brandariz-de-Pedro, Guillem; Sañudo, E. Carolina; Teat, Simon J.; Fraxedas, Jordi; Ruiz, Eliseo; Aliaga-Alcalde, Núria","Multiscale study of mononuclear CoIISMMs based on curcuminoid ligands","Chem. Sci.","2016","7","4","2793","","10.1039/C5SC03298A","","","0.7749","synchrotron","","0.0944","0.0468","","","0.1013","0.1185","","","","","","0.987","","","","has coordinates","181580","2020-10-21","18:00:00",""
"1541916","17.249","0.003","16.9","0.003","22.44","0.004","90","","108.612","0.003","90","","6199.3","1.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C81 H55 Cl3 Co N2 O4 -","- C81 H55 Cl3 Co N2 O4 -","- C324 H220 Cl12 Co4 N8 O16 -","4","1","","Díaz-Torres, Raúl; Menelaou, Melita; Roubeau, Olivier; Sorrenti, Alessandro; Brandariz-de-Pedro, Guillem; Sañudo, E. Carolina; Teat, Simon J.; Fraxedas, Jordi; Ruiz, Eliseo; Aliaga-Alcalde, Núria","Multiscale study of mononuclear CoIISMMs based on curcuminoid ligands","Chem. Sci.","2016","7","4","2793","","10.1039/C5SC03298A","","","0.7749","synchrotron","","0.155","0.0744","","","0.1382","0.1627","","","","","","0.943","","","","has coordinates","181580","2020-10-21","18:00:00",""
"1541917","18.9677","0.0016","19.9186","0.0017","31.739","0.003","90","","95.287","0.004","90","","11940.3","1.8","100","2","100","2","","","","","","","","5","I 1 2 1","I 2y","5","Pyrene tetralactic acid","","","- C92 H89 N O20 Zn2 -","- C92 H89 N O20 Zn2 -","- C368 H356 N4 O80 Zn8 -","4","1","","Chandrasekhar, Pujari; Mukhopadhyay, Arindam; Savitha, Govardhan; Moorthy, Jarugu Narasimha","Remarkably selective and enantiodifferentiating sensing of histidine by a fluorescent homochiral Zn-MOF based on pyrene-tetralactic acid","Chem. Sci.","2016","7","5","3085","","10.1039/C5SC03839A","","","0.71073","MoKα","","0.2034","0.0871","","","0.2191","0.2596","","","","","","0.801","","","","has coordinates","182627","2020-10-21","18:00:00",""
"1541930","18.2404","0.0007","22.7636","0.0007","14.3542","0.0005","90","","126.449","0.003","90","","4794.2","0.3","293","2","293","2","","","","","","","","7","C 1 2 1","C 2y","5","[Ni(ethylendiamine)3]3{V15Sb6O42(H2O)}*9H2O","'[Ni(C2H8N2)3]3{V15Sb6O42(H2O)}*9H2O'","","- C18 H92 N18 Ni3 O52 Sb6 V15 -","- C18 H72 N18 Ni3 O52 Sb6 V15 -","- C36 H144 N36 Ni6 O104 Sb12 V30 -","2","0.5","","Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang","Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates","Chem. Sci.","2016","7","4","2684","","10.1039/C5SC04571A","","","0.71073","MoKα","","0.0454","0.0385","","","0.0923","0.0951","","","","","","1.024","","","","has coordinates","181582","2020-10-21","18:00:00",""
"1541931","18.2302","0.0014","22.6142","0.0016","14.4067","0.0011","90","","126.36","0.007","90","","4783","0.8","200","2","200","2","","","","","","","","7","C 1 2 1","C 2y","5","[Co(ethylendiamine)3]3{V15Sb6O42}*9H2O","'[Co(C2H8N2)3]3{V15Sb6O42}*9H2O'","","- C18 H90 Co3 N18 O51 Sb6 V15 -","- C18 H72 Co3 N18 O51 Sb6 V15 -","- C36 H144 Co6 N36 O102 Sb12 V30 -","2","0.5","","Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang","Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates","Chem. Sci.","2016","7","4","2684","","10.1039/C5SC04571A","","","0.71073","MoKα","","0.0533","0.0453","","","0.1149","0.1187","","","","","","1.045","","","","has coordinates","181582","2020-10-21","18:00:00",""
"1541932","18.1991","0.0004","22.626","0.0006","14.3614","0.0003","90","","126.193","0.001","90","","4772.5","0.2","200","2","200","2","","","","","","","","7","C 1 2 1","C 2y","5","[Fe(ethylendiamine)3]3{V15Sb6O42}*9H2O","'[Fe(C2H8N2)3]3{V15Sb6O42}*9H2O'","","- C18 H90 Fe3 N18 O51 Sb6 V15 -","- C18 H72 Fe3 N18 O51 Sb6 V15 -","- C36 H144 Fe6 N36 O102 Sb12 V30 -","2","0.5","","Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang","Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates","Chem. Sci.","2016","7","4","2684","","10.1039/C5SC04571A","","","0.71073","MoKα","","0.0361","0.0324","","","0.0754","0.0768","","","","","","1.058","","","","has coordinates","181582","2020-10-21","18:00:00",""
"1541933","23.7437","0.0005","23.7437","0.0005","14.9586","0.0003","90","","90","","120","","7303.3","0.3","200","2","200","2","","","","","","","","7","P 3 2 1","P 3 2""","150","[Ni(ethylendiamine)3]3{V15Sb6O42}*xH2O","'[Ni(C2H8N2)3]3{V15Sb6O42}*xH2O'","","- C18 H72 N18 Ni3 O42 Sb6 V15 -","- C18 H72 N18 Ni3 O42 Sb6 V15 -","- C54 H216 N54 Ni9 O126 Sb18 V45 -","3","0.5","","Wendt, Michael; Warzok, Ulrike; Näther, Christian; van Leusen, Jan; Kögerler, Paul; Schalley, Christoph A.; Bensch, Wolfgang","Catalysis of “outer-phase” oxygen atom exchange reactions by encapsulated “inner-phase” water in {V15Sb6}-type polyoxovanadates","Chem. Sci.","2016","7","4","2684","","10.1039/C5SC04571A","","","0.71073","MoKα","","0.0691","0.058","","","0.1369","0.1438","","","","","","0.987","","","","has coordinates","181582","2020-10-21","18:00:00",""
"1541938","13.629","","13.249","","11.556","","90","","90","","90","","2086.67","","","","","","","","","","","","","6","P n m a","-P 2ac 2n","62","","Cs3 (U O2) (N C S)5","","- C5 Cs3 N5 O2 S5 U -","- C5 Cs3 N5 O2 S5 U -","- C20 Cs12 N20 O8 S20 U4 -","4","0.5","","Arutyunyan, E.G.; Porai-Koshits, M.A.","Crystal Structure of Cs3 U O2 (N C S)5","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1966","7","","393","398","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541976","4","","4","","4","","90","","90","","90","","64","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","(Bi0.3 Pb0.7) (Fe0.3 Ti0.7) O3","","- Bi0.3 Fe0.3 O3 Pb0.7 Ti0.7 -","- Bi0.3 Fe0.3 O3 Pb0.7 Ti0.7 -","- Bi0.3 Fe0.3 O3 Pb0.7 Ti0.7 -","1","0.0208333","","Fedulov, S.A.; Venevtsev, Yu.N.; Zhdanov, G.S.; Smazhevskaya, E.G.; Rez, I.S.","X-ray and electrical studies of the Pb Ti O3 - Bi Fe O3 system","Kristallografiya","1962","7","","77","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","173868","2020-10-21","18:00:00",""
"1541978","4.01","","4.01","","4.01","","90","","90","","90","","64.481","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","(Bi0.8 Pb0.2) (Fe0.8 Ti0.2) O3","","- Bi0.8 Fe0.8 O3 Pb0.2 Ti0.2 -","- Bi0.8 Fe0.8 O3 Pb0.2 Ti0.2 -","- Bi0.8 Fe0.8 O3 Pb0.2 Ti0.2 -","1","0.0208333","","Fedulov, S.A.; Venevtsev, Yu.N.; Zhdanov, G.S.; Smazhevskaya, E.G.; Rez, I.S.","X-ray and electrical studies of the Pb Ti O3 - Bi Fe O3 system","Kristallografiya","1962","7","","77","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","173870","2020-10-21","18:00:00",""
"1541980","3.87","","3.87","","3.87","","90","","90","","90","","57.961","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","(Pb0.5 La0.5) (Al0.5 Ti0.5) O3","","- Al0.5 La0.5 O3 Pb0.5 Ti0.5 -","- Al0.5 La0.5 O3 Pb0.5 Ti0.5 -","- Al0.5 La0.5 O3 Pb0.5 Ti0.5 -","1","0.0208333","","Fedulov, S.A.; Venevtsev, Yu.N.; Dzhmukhadze, D.F.","X-ray and electrical studies of the Pb Ti O3 - Bi Fe O3 system","Kristallografiya","1962","7","","408","411","","","","","","","","","","","","","","","","","","","","","","has coordinates","173872","2020-10-21","18:00:00",""
"1541999","3.973","","3.973","","3.973","","90","","90","","90","","62.713","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Sr ((Fe0.5 Ta0.5) O3)","","- Fe0.5 O3 Sr Ta0.5 -","- Fe0.5 O3 Sr Ta0.5 -","- Fe0.5 O3 Sr Ta0.5 -","1","0.0208333","","Kupriyanov, M.F.; Fesenko, E.G.","An X-ray study of the phase transition in Sr2 Fe Ta O6","Kristallografiya","1962","7","","315","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542061","6.3346","","6.3346","","14.871","","90","","90","","120","","516.784","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Cs3 (F3 (V O F2)2)","","- Cs3 F7 O2 V2 -","- Cs3 F7.0002 O1.9998 V2 -","- Cs6 F14.0004 O3.9996 V4 -","2","0.0833333","","Waltersson, K.","The crystal structure of Cs3 V2 O2 F7","Crystal Structure Communications","1978","7","","507","511","","","","","","","","","","","","","","","","","","","","","","has coordinates","173995","2020-10-21","18:00:00",""
"1542107","3.971","","3.971","","3.971","","90","","90","","90","","62.618","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Pb (Mg0.2 W0.2 Ti0.6) O3","","- Mg0.2 O3 Pb Ti0.6 W0.2 -","- Mg0.2 O3 Pb Ti0.6 W0.2 -","- Mg0.2 O3 Pb Ti0.6 W0.2 -","1","0.0208333","","Zaslavskii, A.I.; Bryzhina, M.F.","An X-ray structural investigation of the antiferroelectric Pb2 Mg W O6 and the system of solid solutions Pb2 Mg W O6 - Pb Ti O3","Kristallografiya","1962","7","","709","717","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542121","8.232","","9.164","","7.984","","107.45","","98.32","","71.44","","543.887","","","","","","","","","","","","","4","P -1","-P 1","2","","((H2 O)7 Pr Cl2 Pr (H2 O)7) Cl4","","- Cl6 H28 O14 Pr2 -","- Cl6 O14 Pr2 -","- Cl6 O14 Pr2 -","1","0.5","","Habenschuss, A.; Spedding, F.H.","Di-mue-chloro-bis(heptaaquapraseodymium(III)) tetrachloride","Crystal Structure Communications","1978","7","","535","541","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542125","3.931","","3.931","","3.931","","90","","90","","90","","60.745","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Na (Ta O3)","","- Na O3 Ta -","- Na O3 Ta -","- Na O3 Ta -","1","0.0208333","","Ismailzade, I.G.","An X-ray diffraction study of phase transitions in sodium tantalate","Kristallografiya","1962","7","","718","723","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542193","3.88","","3.88","","4.37","","90","","90","","90","","65.788","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","(Bi0.5 Pb0.5) (Fe0.5 Ti0.5) O3","","- Bi0.5 Fe0.5 O3 Pb0.5 Ti0.5 -","- Bi0.5 Fe0.5 O3 Pb0.5 Ti0.5 -","- Bi0.5 Fe0.5 O3 Pb0.5 Ti0.5 -","1","0.0625","","Fedulov, S.A.; Zhdanov, G.S.; Venevtsev, Yu.N.; Smazhevskaya, E.G.; Rez, I.S.","X-ray and electrical studies of the Pb Ti O3 - Bi Fe O3 system","Kristallografiya","1962","7","","77","83","","","","","","","","","","","","","","","","","","","","","","has coordinates","174247","2020-10-21","18:00:00",""
"1542250","7.403","","5.65","","11.443","","90","","90","","90","","478.626","","","","","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","K2 V O F4","","- F4 K2 O V -","- F4 K2 O V -","- F16 K8 O4 V4 -","4","1","","Waltersson, K.; Karlsson, B.","K2 V O F4","Crystal Structure Communications","1978","7","","459","462","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542253","31.4049","0.0006","31.4049","0.0006","31.4049","0.0006","90","","90","","90","","30973.6","1","93","","93","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C90.09 H108.55 Cl24.19 N12 O6.18 Pd6 -","- C90.084 H96.168 Cl24.168 N12 O6.17 Pd6 -","- C720.672 H769.344 Cl193.344 N96 O49.36 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0595","","","","0.1548","","","","","","1.089","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542254","31.495","0.0007","31.495","0.0007","31.495","0.0007","90","","90","","90","","31241","1.2","97","","97","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.77 H103.38 Cl21.54 N12 O4.92 Pd6 -","- C88.77 H93.54 Cl21.54 N12 O4.93 Pd6 -","- C710.16 H748.32 Cl172.32 N96 O39.44 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0917","","","","0.2429","","","","","","1.045","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542255","31.3834","0.001","31.3834","0.001","31.3834","0.001","90","","90","","90","","30910.1","1.7","95","","95","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.81 H104.7 Cl21.61 N12 O5.54 Pd6 -","- C88.806 H93.612 Cl21.612 N12 O5.52 Pd6 -","- C710.448 H748.896 Cl172.896 N96 O44.16 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.084","","","","0.2381","","","","","","1.037","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542256","31.4527","0.0016","31.4527","0.0016","31.4527","0.0016","90","","90","","90","","31115","3","100","","100","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.28 H102.34 Cl20.56 N12 O4.89 Pd6 -","- C88.29 H92.58 Cl20.58 N12 O4.8899 Pd6 -","- C706.32 H740.64 Cl164.64 N96 O39.1192 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.094","","","","0.2416","","","","","","1.03","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542257","31.493","0.003","31.493","0.003","31.493","0.003","90","","90","","90","","31235","5","93","","93","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.82 H106.67 Cl21.63 N12 O6.52 Pd6 -","- C88.818 H93.636 Cl21.636 N12 O6.51 Pd6 -","- C710.544 H749.088 Cl173.088 N96 O52.08 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0829","","","","0.2137","","","","","","1.047","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542258","31.3274","0.0006","31.3274","0.0006","31.3274","0.0006","90","","90","","90","","30744.9","1","97","","97","","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C47.41 H49.41 Cl22.23 N6 O Pd3 -","- C47.41 H46.41 Cl22.23 N6 O Pd3 -","- C758.56 H742.56 Cl355.68 N96 O16 Pd48 -","16","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0629","","","","0.1823","","","","","","1.058","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542259","31.3922","0.0006","31.3922","0.0006","31.3922","0.0006","90","","90","","90","","30936.1","1","93","","93","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.53 H106.99 Cl21.07 N12 O6.96 Pd6 -","- C88.53 H93.06 Cl21.06 N12 O6.97 Pd6 -","- C708.24 H744.48 Cl168.48 N96 O55.76 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0961","","","","0.2535","","","","","","1.024","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542260","31.3469","0.0008","31.3469","0.0008","31.3469","0.0008","90","","90","","90","","30802.3","1.4","93","","93","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.34 H103.54 Cl20.68 N12 O5.43 Pd6 -","- C88.338 H92.676 Cl20.676 N12 O5.4299 Pd6 -","- C706.704 H741.408 Cl165.408 N96 O43.4392 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0799","","","","0.212","","","","","","1.073","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542261","31.4043","0.0006","31.4043","0.0006","31.4043","0.0006","90","","90","","90","","30971.9","1","93","","93","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.49 H103.18 Cl20.98 N12 O5.1 Pd6 -","- C88.488 H92.976 Cl20.976 N12 O5.0998 Pd6 -","- C707.904 H743.808 Cl167.808 N96 O40.7984 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0835","","","","0.2102","","","","","","1.016","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542262","31.4477","0.0006","31.4477","0.0006","31.4477","0.0006","90","","90","","90","","31100.4","1","93","","93","","","","","","","","","6","I 21 3","I 2b 2c 3","199","","","","- C88.52 H103.31 Cl21.04 N12 O5.14 Pd6 -","- C88.518 H93.036 Cl21.036 N12 O5.1299 Pd6 -","- C708.144 H744.288 Cl168.288 N96 O41.0392 Pd48 -","8","0.333333","","Kubota, Ryou; Tashiro, Shohei; Shionoya, Mitsuhiko","Chiral metal‒macrocycle frameworks: supramolecular chirality induction and helicity inversion of the helical macrocyclic structures","Chem. Sci.","2016","7","3","2217","","10.1039/C5SC04570C","","","0.71075","MoKα","","","0.0758","","","","0.1999","","","","","","1.07","","","","has coordinates","177718","2020-10-21","18:00:00",""
"1542263","15.9195","0.0004","13.7674","0.0003","17.3771","0.0004","90","","90","","90","","3808.54","0.15","150","0.1","150","0.1","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24.5 H17 Cl N O S0.5 -","- C24.5 H17 Cl N O S0.5 -","- C196 H136 Cl8 N8 O8 S4 -","8","1","","Xu, Bingjia; Mu, Yingxiao; Mao, Zhu; Xie, Zongliang; Wu, Haozhong; Zhang, Yi; Jin, Chongjun; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Wu, Yuan-Chun; Lu, Po-Yen; Lien, Alan; Bryce, Martin R.","Achieving remarkable mechanochromism and white-light emission with thermally activated delayed fluorescence through the molecular heredity principle","Chem. Sci.","2016","7","3","2201","","10.1039/C5SC04155D","","x-ray","1.54184","CuKα","","0.0606","0.0541","","","0.1459","0.1522","","","","","","1.056","","","","has coordinates","177731","2020-10-21","18:00:00",""
"1542264","8.1912","0.0003","20.1704","0.0006","18.0457","0.0006","90","","97.807","0.003","90","","2953.87","0.17","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 N2 O2 S3 -","- C36 H24 N2 O2 S3 -","- C144 H96 N8 O8 S12 -","4","1","","Xu, Bingjia; Mu, Yingxiao; Mao, Zhu; Xie, Zongliang; Wu, Haozhong; Zhang, Yi; Jin, Chongjun; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Wu, Yuan-Chun; Lu, Po-Yen; Lien, Alan; Bryce, Martin R.","Achieving remarkable mechanochromism and white-light emission with thermally activated delayed fluorescence through the molecular heredity principle","Chem. Sci.","2016","7","3","2201","","10.1039/C5SC04155D","","","1.54178","CuKα","","0.0543","0.0429","","","0.1103","0.1197","","","","","","1.017","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542265","19.365","0.004","12.947","0.003","13.257","0.003","90","","106.41","0.03","90","","3188.4","1.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 N2 O2 S2 -","- C42 H28 N2 O2 S2 -","- C168 H112 N8 O8 S8 -","4","1","","Xu, Bingjia; Mu, Yingxiao; Mao, Zhu; Xie, Zongliang; Wu, Haozhong; Zhang, Yi; Jin, Chongjun; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Wu, Yuan-Chun; Lu, Po-Yen; Lien, Alan; Bryce, Martin R.","Achieving remarkable mechanochromism and white-light emission with thermally activated delayed fluorescence through the molecular heredity principle","Chem. Sci.","2016","7","3","2201","","10.1039/C5SC04155D","","","0.71073","MoKα","","0.0682","0.0479","","","0.1133","0.1255","","","","","","1.052","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542271","11.3075","0.0007","17.5868","0.0011","20.908","0.0013","90","","90","","90","","4157.8","0.4","173","2","173.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H34 Cr N4 -","- C18 H34 Cr N4 -","- C144 H272 Cr8 N32 -","8","1","","Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L.","A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity","Chem. Sci.","2016","7","4","2532","","10.1039/C5SC04608D","","","0.71073","MoKα","","0.0858","0.049","","","0.1197","0.1454","","","","","","1.044","","","","has coordinates","181586","2020-10-21","18:00:00",""
"1542272","13.565","0.0011","13.6133","0.0011","14.3228","0.0011","117.74","0.001","103.515","0.001","90.421","0.001","2255.3","0.3","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H150 Cr2 K2 N12 O12 -","- C77 H150 Cr2 K2 N12 O12 -","- C77 H150 Cr2 K2 N12 O12 -","1","0.5","","Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L.","A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity","Chem. Sci.","2016","7","4","2532","","10.1039/C5SC04608D","","","0.71073","MoKα","","0.0771","0.0507","","","0.1309","0.1512","","","","","","1.03","","","","has coordinates,has disorder","181586","2020-10-21","18:00:00",""
"1542273","16.6334","0.0014","14.8352","0.0012","18.1191","0.0015","90","","90","","90","","4471.1","0.6","173","2","173.15","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H36 Cr N4 O -","- C20 H36 Cr N4 O -","- C160 H288 Cr8 N32 O8 -","8","1","","Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L.","A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity","Chem. Sci.","2016","7","4","2532","","10.1039/C5SC04608D","","","0.71073","MoKα","","0.0533","0.0405","","","0.1057","0.1168","","","","","","1.042","","","","has coordinates","181586","2020-10-21","18:00:00",""
"1542274","10.3071","0.0009","27.649","0.002","18.4003","0.0016","90","","99.891","0.001","90","","5165.8","0.7","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H42 Cr N4 O -","- C23 H42 Cr N4 O -","- C184 H336 Cr8 N32 O8 -","8","2","","Beaumier, Evan P.; Billow, Brennan S.; Singh, Amrendra K.; Biros, Shannon M.; Odom, Aaron L.","A complex with nitrogen single, double, and triple bonds to the same chromium atom: synthesis, structure, and reactivity","Chem. Sci.","2016","7","4","2532","","10.1039/C5SC04608D","","","0.71073","MoKα","","0.0591","0.0434","","","0.112","0.1238","","","","","","1.035","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1542275","20.862","0.003","10.4975","0.0017","16.69","0.003","90","","90","","90","","3655.1","1","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C21 H22 N4 O -","- C21 H22 N4 O -","- C168 H176 N32 O8 -","8","1","","Blackham, Emma E.; Knowles, Jonathan P.; Burgess, Jonathan; Booker-Milburn, Kevin I.","Combining photochemistry and catalysis: rapid access to sp3– rich polyheterocycles from simple pyrroles","Chem. Sci.","2016","7","3","2302","","10.1039/C5SC04062K","","","0.71073","MoKα","","0.0867","0.0503","","","0.1068","0.1232","","","","","","1.041","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542276","7.4546","0.0004","18.7124","0.001","34.4314","0.0019","90","","91.776","0.003","90","","4800.6","0.4","100","2","99.98","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C25 H28 N4 O5 S -","- C25 H28 N4 O5 S -","- C200 H224 N32 O40 S8 -","8","4","","Blackham, Emma E.; Knowles, Jonathan P.; Burgess, Jonathan; Booker-Milburn, Kevin I.","Combining photochemistry and catalysis: rapid access to sp3– rich polyheterocycles from simple pyrroles","Chem. Sci.","2016","7","3","2302","","10.1039/C5SC04062K","","","0.71073","MoKα","","0.0796","0.0585","","","0.1154","0.1245","","","","","","1.043","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542277","13.2995","0.0005","10.5425","0.0004","16.004","0.0006","90","","93.024","0.002","90","","2240.8","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 N3 O3 S -","- C25 H29 N3 O3 S -","- C100 H116 N12 O12 S4 -","4","1","","Blackham, Emma E.; Knowles, Jonathan P.; Burgess, Jonathan; Booker-Milburn, Kevin I.","Combining photochemistry and catalysis: rapid access to sp3– rich polyheterocycles from simple pyrroles","Chem. Sci.","2016","7","3","2302","","10.1039/C5SC04062K","","","0.71073","MoKα","","0.0527","0.0428","","","0.0953","0.1009","","","","","","1.051","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542280","7.9375","0.0003","8.7365","0.0004","12.1972","0.0005","102.684","0.002","107.187","0.002","103.796","0.002","745.41","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H16 N6 Na O6 V -","- C10 H16 N6 Na O6 V -","- C20 H32 N12 Na2 O12 V2 -","2","1","","Leggett, C. J.; Parker, B. F.; Teat, S. J.; Zhang, Z.; Dau, P. D.; Lukens, W. W.; Peterson, S. M.; Cardenas, A. J. P.; Warner, M. G.; Gibson, J. K.; Arnold, J.; Rao, L.","Structural and spectroscopic studies of a rare non-oxido V(v) complex crystallized from aqueous solution","Chem. Sci.","2016","7","4","2775","","10.1039/C5SC03958D","","","0.7749","synchrotron","","0.0301","0.0263","","","0.0707","0.0729","","","","","","1.034","","","","has coordinates","181584","2020-10-21","18:00:00",""
"1542281","15.0543","0.0008","5.507","0.0003","10.1794","0.0005","90","","101.569","0.003","90","","826.77","0.08","100","","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","NaO2(cyclciAO)","NaO2(cyclciAO)","","- C5 H7 N3 Na O4 V -","- C5 H7 N3 Na O4 V -","- C20 H28 N12 Na4 O16 V4 -","4","1","","Leggett, C. J.; Parker, B. F.; Teat, S. J.; Zhang, Z.; Dau, P. D.; Lukens, W. W.; Peterson, S. M.; Cardenas, A. J. P.; Warner, M. G.; Gibson, J. K.; Arnold, J.; Rao, L.","Structural and spectroscopic studies of a rare non-oxido V(v) complex crystallized from aqueous solution","Chem. Sci.","2016","7","4","2775","","10.1039/C5SC03958D","","","0.71073","MoKα","","0.0485","0.033","","","0.0955","0.1112","","","","","","0.963","","","","has coordinates","181584","2020-10-21","18:00:00",""
"1542282","8.15438","0.00013","8.28026","0.00015","12.8297","0.0002","90","","92.0637","0.0014","90","","865.7","0.02","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 Ga2 O6 -","- C12 H26 Ga2 O6 -","- C24 H52 Ga4 O12 -","2","0.5","","Horeglad, P.; Cybularczyk, M.; Litwińska, A.; Dąbrowska, A. M.; Dranka, M.; Żukowska, G. Z.; Urbańczyk, M.; Michalak, M.","Controlling the stereoselectivity of rac-LA polymerization by chiral recognition induced the formation of homochiral dimeric metal alkoxides","Polym. Chem.","2016","7","11","2022","","10.1039/C5PY02005K","","x-ray","0.71073","MoKα","","0.0197","0.0188","","","0.0459","0.0462","","","","","","1.196","","","","has coordinates","181809","2020-10-21","18:00:00",""
"1542283","6.9927","0.0003","8.3025","0.0003","8.4128","0.0003","76.086","0.003","83.924","0.003","87.628","0.003","471.36","0.03","100","0.3","100","0.3","","","","","","","","4","P 1","P 1","1","","","","- C12 H26 In2 O6 -","- C12 H26 In2 O6 -","- C12 H26 In2 O6 -","1","1","","Horeglad, P.; Cybularczyk, M.; Litwińska, A.; Dąbrowska, A. M.; Dranka, M.; Żukowska, G. Z.; Urbańczyk, M.; Michalak, M.","Controlling the stereoselectivity of rac-LA polymerization by chiral recognition induced the formation of homochiral dimeric metal alkoxides","Polym. Chem.","2016","7","11","2022","","10.1039/C5PY02005K","","x-ray","0.71073","MoKα","","0.0172","0.0158","","","0.0392","0.0398","","","","","","1.064","","","","has coordinates","181809","2020-10-21","18:00:00",""
"1542284","8.27","0.0002","8.4677","0.0002","13.1476","0.0003","90","","91.014","0.002","90","","920.55","0.04","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 In2 O6 -","- C12 H26 In2 O6 -","- C24 H52 In4 O12 -","2","0.5","","Horeglad, P.; Cybularczyk, M.; Litwińska, A.; Dąbrowska, A. M.; Dranka, M.; Żukowska, G. Z.; Urbańczyk, M.; Michalak, M.","Controlling the stereoselectivity of rac-LA polymerization by chiral recognition induced the formation of homochiral dimeric metal alkoxides","Polym. Chem.","2016","7","11","2022","","10.1039/C5PY02005K","","x-ray","0.71073","MoKα","","0.0209","0.0202","","","0.0459","0.0461","","","","","","1.331","","","","has coordinates","181809","2020-10-21","18:00:00",""
"1542285","8.0739","0.0004","8.5229","0.0005","14.463","0.0008","90","","97.288","0.005","90","","987.2","0.09","120","0.1","120","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C18 H28 Ga2 N2 O2 -","- C18 H28 Ga2 N2 O2 -","- C36 H56 Ga4 N4 O4 -","2","0.5","","Horeglad, P.; Cybularczyk, M.; Litwińska, A.; Dąbrowska, A. M.; Dranka, M.; Żukowska, G. Z.; Urbańczyk, M.; Michalak, M.","Controlling the stereoselectivity of rac-LA polymerization by chiral recognition induced the formation of homochiral dimeric metal alkoxides","Polym. Chem.","2016","7","11","2022","","10.1039/C5PY02005K","","x-ray","0.71073","MoKα","","0.0309","0.0283","","","0.0744","0.0765","","","","","","1.157","","","","has coordinates","181809","2020-10-21","18:00:00",""
"1542294","9.8336","0.0006","14.2701","0.0009","16.3902","0.001","83.637","0.002","85.505","0.002","83.306","0.002","2265.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Th1-TIPS","","- C48 H66 S3 Si2 -","- C48 H66 S3 Si2 -","- C96 H132 S6 Si4 -","2","1","","Shi, Xueliang; Quintero, Estefanía; Lee, Sangsu; Jing, Linzhi; Herng, Tun Seng; Zheng, Bin; Huang, Kuo-Wei; López Navarrete, Juan T.; Ding, Jun; Kim, Dongho; Casado, Juan; Chi, Chunyan","Benzo-thia-fused [n]thienoacenequinodimethanes with small to moderate diradical characters: the role of pro-aromaticity versus anti-aromaticity","Chem. Sci.","2016","7","5","3036","","10.1039/C5SC04706D","","","0.71073","MoKα","","0.0888","0.0591","","","0.1306","0.1444","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542295","7.4217","0.0004","19.0953","0.0011","19.1877","0.0016","63.238","0.002","89.851","0.003","79.162","0.002","2374.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Th2-TIPS","","- C50 H66 S4 Si2 -","- C50 H66 S4 Si2 -","- C100 H132 S8 Si4 -","2","1","","Shi, Xueliang; Quintero, Estefanía; Lee, Sangsu; Jing, Linzhi; Herng, Tun Seng; Zheng, Bin; Huang, Kuo-Wei; López Navarrete, Juan T.; Ding, Jun; Kim, Dongho; Casado, Juan; Chi, Chunyan","Benzo-thia-fused [n]thienoacenequinodimethanes with small to moderate diradical characters: the role of pro-aromaticity versus anti-aromaticity","Chem. Sci.","2016","7","5","3036","","10.1039/C5SC04706D","","","1.54178","CuKα","","0.1101","0.0922","","","0.2629","0.3472","","","","","","1.561","","","","has coordinates,has disorder","182625","2020-10-21","18:00:00",""
"1542296","14.9964","0.0004","18.3543","0.0005","19.3746","0.0005","96.6629","0.0012","99.0302","0.0012","98.7364","0.0011","5151.9","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","Th3-TIPS","","- C52 H66 S5 Si2 -","- C52 H66 S5 Si2 -","- C208 H264 S20 Si8 -","4","2","","Shi, Xueliang; Quintero, Estefanía; Lee, Sangsu; Jing, Linzhi; Herng, Tun Seng; Zheng, Bin; Huang, Kuo-Wei; López Navarrete, Juan T.; Ding, Jun; Kim, Dongho; Casado, Juan; Chi, Chunyan","Benzo-thia-fused [n]thienoacenequinodimethanes with small to moderate diradical characters: the role of pro-aromaticity versus anti-aromaticity","Chem. Sci.","2016","7","5","3036","","10.1039/C5SC04706D","","","1.54178","CuKα","","0.0642","0.0442","","","0.1035","0.1145","","","","","","1.027","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1542297","6.9436","0.0002","21.6735","0.0006","33.9795","0.0008","90","","94.396","0.001","90","","5098.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","BDTh-TIPS","","- C54 H68 S4 Si2 -","- C54 H68 S4 Si2 -","- C216 H272 S16 Si8 -","4","1","","Shi, Xueliang; Quintero, Estefanía; Lee, Sangsu; Jing, Linzhi; Herng, Tun Seng; Zheng, Bin; Huang, Kuo-Wei; López Navarrete, Juan T.; Ding, Jun; Kim, Dongho; Casado, Juan; Chi, Chunyan","Benzo-thia-fused [n]thienoacenequinodimethanes with small to moderate diradical characters: the role of pro-aromaticity versus anti-aromaticity","Chem. Sci.","2016","7","5","3036","","10.1039/C5SC04706D","","","1.54178","CuKα","","0.068","0.0495","","","0.1206","0.1327","","","","","","1.018","","","","has coordinates,has disorder","182625","2020-10-21","18:00:00",""
"1542298","10.2218","0.0007","9.8805","0.001","20.3205","0.0016","90","","117.561","0.006","90","","1819.4","0.3","104.6","","104.6","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,9-bis(4-(2,2-diphenylvinyl)phenyl)-naphtho[2,3-c][1,2,5]selenadiazole","","- C50 H34 N2 Se -","- C50 H34 N2 Se -","- C100 H68 N4 Se2 -","2","0.5","","Xue, Jie; Li, Chen; Xin, Lijun; Duan, Lian; Qiao, Juan","High-efficiency and low efficiency roll-off near-infrared fluorescent OLEDs through triplet fusion","Chem. Sci.","2016","7","4","2888","","10.1039/C5SC04685H","","","0.7107","MoKα","","0.0606","0.0426","","","0.0881","0.0951","","","","","","1.077","","","","has coordinates,has disorder","181585","2020-10-21","18:00:00",""
"1542299","14.9598","0.0007","22.5882","0.0011","16.6294","0.0008","90","","112.453","0.0013","90","","5193.3","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(mfpy)2Ir(dib)]PF6","","- C57 H59 F6 Ir N7 P -","- C57 H59 F6 Ir N7 P -","- C228 H236 F24 Ir4 N28 P4 -","4","1","","Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming","Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging","Chem. Sci.","2016","7","5","3123","","10.1039/C5SC04458H","","","1.54178","CuKα","","0.0706","0.0647","","","0.1706","0.1799","","","","","","1.049","","","","has coordinates","182618","2020-10-21","18:00:00",""
"1542300","13.346","0.0005","19.6302","0.0007","30.1437","0.0011","90","","90","","90","","7897.2","0.5","100","","100","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","[(Hbta)2Ir(dib)]OTf","","- C42 H40 F3 Ir N6 O3 S3 -","- C42 H40 F3 Ir N6 O3 S3 -","- C336 H320 F24 Ir8 N48 O24 S24 -","8","1","","Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming","Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging","Chem. Sci.","2016","7","5","3123","","10.1039/C5SC04458H","","","1.54178","CuKα","","0.0228","0.0227","","","0.0588","0.059","","","","","","1.127","","","","has coordinates","182618","2020-10-21","18:00:00",""
"1542301","15.8141","0.0006","16.3895","0.0006","18.8888","0.0007","67.048","0.0019","67.5521","0.0017","82.559","0.002","4165.4","0.3","100","","100","","","","","","","","","7","P -1","-P 1","2","","[cis-(Hbta)2Ir(dib)]OTf","","- C42 H40 F3 Ir N6 O3 S3 -","- C42 H40 F3 Ir N6 O3 S3 -","- C168 H160 F12 Ir4 N24 O12 S12 -","4","2","","Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming","Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging","Chem. Sci.","2016","7","5","3123","","10.1039/C5SC04458H","","","1.54178","CuKα","","0.2365","0.1713","","","0.3922","0.4436","","","","","","1.036","","","","has coordinates","182618","2020-10-21","18:00:00",""
"1542302","11.6716","0.0007","12.4594","0.0008","14.7489","0.0009","74.683","0.002","86.255","0.002","83.689","0.002","2054.6","0.2","115","","115.04","","","","","","","","","7","P -1","-P 1","2","","(lpt)2Ir(dib)OTf","","- C44 H44 F3 Ir N6 O3 S3 -","- C44 H44 F3 Ir N6 O3 S3 -","- C88 H88 F6 Ir2 N12 O6 S6 -","2","1","","Yang, Chen; Mehmood, Faisal; Lam, Tsz Lung; Chan, Sharon Lai-Fung; Wu, Yuan; Yeung, Chi-Shun; Guan, Xiangguo; Li, Kai; Chung, Clive Yik-Sham; Zhou, Cong-Ying; Zou, Taotao; Che, Chi-Ming","Stable luminescent iridium(iii) complexes with bis(N-heterocyclic carbene) ligands: photo-stability, excited state properties, visible-light-driven radical cyclization and CO2reduction, and cellular imaging","Chem. Sci.","2016","7","5","3123","","10.1039/C5SC04458H","","","0.71073","MoKα","","0.0126","0.0123","","","0.0307","0.0309","","","","","","1.012","","","","has coordinates","182618","2020-10-21","18:00:00",""
"1542307","23.4378","0.0004","11.3628","0.0002","14.9029","0.0004","90","","117.124","0.001","90","","3532.43","0.13","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C176 H144 N16 O24 -","8","1","","Fox, J. C.; Gilligan, R. E.; Pitts, A. K.; Bennett, H. R.; Gaunt, M. J.","The total synthesis of K-252c (staurosporinone) via a sequential C–H functionalisation strategy","Chem. Sci.","2016","7","4","2706","","10.1039/C5SC04399A","","","0.71073","MoKα","","0.0813","0.043","","","0.1031","0.112","","","","","","0.964","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542308","7.608","0.002","9.473","0.003","9.93","0.003","99.76","0.005","96.941","0.004","90.08","0.005","700","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H10 Br N O4 S -","- C14 H10 Br N O4 S -","- C28 H20 Br2 N2 O8 S2 -","2","1","","Maji, Arun; Bhaskararao, Bangaru; Singha, Santanu; Sunoj, Raghavan B.; Maiti, Debabrata","Directing group assisted meta-hydroxylation by C–H activation","Chem. Sci.","2016","7","5","3147","","10.1039/C5SC04060D","","","0.71075","MoKα","","0.0399","0.0364","","","0.0881","0.09","","","","","","1.076","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542309","8.087","0.002","8.59","0.003","11.637","0.004","87.857","0.013","79.184","0.011","79.188","0.012","779.9","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 F N O5 S -","- C16 H12 F N O5 S -","- C32 H24 F2 N2 O10 S2 -","2","1","","Maji, Arun; Bhaskararao, Bangaru; Singha, Santanu; Sunoj, Raghavan B.; Maiti, Debabrata","Directing group assisted meta-hydroxylation by C–H activation","Chem. Sci.","2016","7","5","3147","","10.1039/C5SC04060D","","","0.71075","MoKα","","0.048","0.0416","","","0.118","0.1227","","","","","","1.069","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542310","5.327","0.003","15.367","0.01","19.69","0.012","90","","90","","90","","1611.8","1.7","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Cl2 N O5 S -","- C16 H11 Cl2 N O5 S -","- C64 H44 Cl8 N4 O20 S4 -","4","1","","Maji, Arun; Bhaskararao, Bangaru; Singha, Santanu; Sunoj, Raghavan B.; Maiti, Debabrata","Directing group assisted meta-hydroxylation by C‒H activation","Chem. Sci.","2016","7","5","3147","","10.1039/C5SC04060D","","","0.71075","MoKα","","0.0736","0.0659","","","0.153","0.1579","","","","","","1.155","","","","has coordinates","182621","2020-10-21","18:00:00",""
"1542311","8.3889","0.0004","21.3112","0.001","11.195","0.0006","90","","93.127","0.003","90","","1998.43","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45.5 H52.5 N6 O1.5 Zn -","- C45.5 H48.82 N6 O1.5 Zn -","- C91 H97.64 N12 O3 Zn2 -","2","1","","Black, Samuel P.; Wood, Daniel M.; Schwarz, Felix B.; Ronson, Tanya K.; Holstein, Julian J.; Stefankiewicz, Artur R.; Schalley, Christoph A.; Sanders, Jeremy. K. M.; Nitschke, Jonathan R.","Catenation and encapsulation induce distinct reconstitutions within a dynamic library of mixed-ligand Zn4L6cages","Chem. Sci.","2016","7","4","2614","","10.1039/C5SC04906G","","","0.6889","synchrotron","","0.0901","0.0584","","","0.1629","0.1776","","","","","","1.045","","","","has coordinates,has disorder","181587","2020-10-21","18:00:00",""
"1542312","29.307","0.005","45.11","0.009","26.896","0.006","90","","91.52","0.03","90","","35545","12","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C230 H132 F24 N37 O28 P3 S2 Zn4 -","- C230 H132 F24 N37 O28 P3 S2 Zn4 -","- C920 H528 F96 N148 O112 P12 S8 Zn16 -","4","1","","Black, Samuel P.; Wood, Daniel M.; Schwarz, Felix B.; Ronson, Tanya K.; Holstein, Julian J.; Stefankiewicz, Artur R.; Schalley, Christoph A.; Sanders, Jeremy. K. M.; Nitschke, Jonathan R.","Catenation and encapsulation induce distinct reconstitutions within a dynamic library of mixed-ligand Zn4L6cages","Chem. Sci.","2016","7","4","2614","","10.1039/C5SC04906G","","","1.54184","CuKα","","0.2138","0.1969","","","0.5204","0.5324","","","","","","2.255","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542313","35.224","0.0014","35.224","0.0014","43.354","0.002","90","","90","","120","","46584","3","100","2","100","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C350 H327 F24 N51 O27 S8 Zn10 -","- C345 H327 F9 N51 O12 S3 Zn10 -","- C1380 H1308 F36 N204 O48 S12 Zn40 -","4","0.333333","","Black, Samuel P.; Wood, Daniel M.; Schwarz, Felix B.; Ronson, Tanya K.; Holstein, Julian J.; Stefankiewicz, Artur R.; Schalley, Christoph A.; Sanders, Jeremy. K. M.; Nitschke, Jonathan R.","Catenation and encapsulation induce distinct reconstitutions within a dynamic library of mixed-ligand Zn4L6cages","Chem. Sci.","2016","7","4","2614","","10.1039/C5SC04906G","","","0.6889","synchrotron","","0.1292","0.1034","","","0.2721","0.2977","","","","","","1.129","","","","has coordinates,has disorder","181587","2020-10-21","18:00:00",""
"1542316","16.8108","0.0005","19.7138","0.0007","23.9394","0.0009","90","","90","","90","","7933.6","0.5","100","0.1","100","0.1","","","","","","","GeO2","6","P n m a","-P 2ac 2n","62","germanate","PKU-15","","- C12 H32 Ge13.75 N2 O31 Si1.25 -","- C12 H30 Ge14.269 N2 O31 Si0.731 -","- C96 H240 Ge114.152 N16 O248 Si5.848 -","8","1","","Liang, Jie; Xia, Wei; Sun, Junliang; Su, Jie; Dou, Maofeng; Zou, Ruqiang; Liao, Fuhui; Wang, Yingxia; Lin, Jianhua","A multi-dimensional quasi-zeolite with 12 ×10 ×7-ring channels demonstrates high thermal stability and good gas adsorption selectivity","Chem. Sci.","2016","7","5","3025","","10.1039/C5SC04916D","","","0.71073","MoKα","","0.0741","0.0514","","","0.1222","0.1346","","","","","","1.098","","","","has coordinates","182629","2020-10-21","18:00:00",""
"1542318","11.1378","0.0003","11.3745","0.0002","13.5667","0.0003","90","","90","","90","","1718.72","0.07","90","2","90","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H32 O2 -","- C20 H32 O2 -","- C80 H128 O8 -","4","1","","Barton, Naomi A.; Marsh, Benjamin J.; Lewis, William; Narraidoo, Nathalie; Seymour, Graham B.; Fray, Rupert; Hayes, Christopher J.","Accessing low-oxidation state taxanes: is taxadiene-4(5)-epoxide on the taxol biosynthetic pathway?","Chem. Sci.","2016","7","5","3102","","10.1039/C5SC03463A","","x-ray","1.54184","CuKα","","0.0397","0.0391","","","0.1065","0.1074","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542319","18.4394","0.0005","13.7828","0.0003","8.116","0.0002","90","","92.319","0.002","90","","2060.96","0.09","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H20 La N O9 -","- C21 H11 La O7 -","- C84 H44 La4 O28 -","4","1","","Gong, Yun-Nan; Ouyang, Ting; He, Chun-Ting; Lu, Tong-Bu","Photoinduced water oxidation by an organic ligand incorporated into the framework of a stable metal‒organic framework","Chem. Sci.","2016","7","2","1070","","10.1039/C5SC02679B","","","1.54178","CuKα","","0.0373","0.0356","","","0.0903","0.0917","","","","","","1.077","","","","has coordinates","175136","2020-10-21","18:00:00",""
"1542320","15.518","0.001","20.0893","0.0013","26.9179","0.0018","90","","104.175","0.0009","90","","8136","0.9","88","2","88","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C85 H121.5 Fe2 N3.5 O6 -","- C85 H121.5 Fe2 N3.5 O6 -","- C340 H486 Fe8 N14 O24 -","4","1","","Wong, Janice L.; Higgins, Robert F.; Bhowmick, Indrani; Cao, David Xi; Szigethy, Géza; Ziller, Joseph W.; Shores, Matthew P.; Heyduk, Alan F.","Bimetallic iron‒iron and iron‒zinc complexes of the redox-active ONO pincer ligand","Chem. Sci.","2016","7","2","1594","","10.1039/C5SC03006D","","","0.71073","MoKα","","0.0625","0.0412","","","0.0951","0.1059","","","","","","1.013","","","","has coordinates,has disorder","175138","2020-10-21","18:00:00",""
"1542321","15.5857","0.0008","20.1236","0.0011","26.8587","0.0014","90","","104.233","0.0007","90","","8165.4","0.7","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H120 Fe N3 O6 Zn -","- C84 H120 Fe N3 O6 Zn -","- C336 H480 Fe4 N12 O24 Zn4 -","4","1","","Wong, Janice L.; Higgins, Robert F.; Bhowmick, Indrani; Cao, David Xi; Szigethy, Géza; Ziller, Joseph W.; Shores, Matthew P.; Heyduk, Alan F.","Bimetallic iron‒iron and iron‒zinc complexes of the redox-active ONO pincer ligand","Chem. Sci.","2016","7","2","1594","","10.1039/C5SC03006D","","","0.71073","MoKα","","0.0573","0.0429","","","0.1207","0.13","","","","","","1.035","","","","has coordinates,has disorder","175138","2020-10-21","18:00:00",""
"1542322","14.208","0.003","20.222","0.004","14.512","0.003","90","","108.954","0.003","90","","3943.4","1.4","88","2","88","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41.5 H54 N4 O2 Zn -","- C41.5 H54 N4 O2 Zn -","- C166 H216 N16 O8 Zn4 -","4","2","","Wong, Janice L.; Higgins, Robert F.; Bhowmick, Indrani; Cao, David Xi; Szigethy, Géza; Ziller, Joseph W.; Shores, Matthew P.; Heyduk, Alan F.","Bimetallic iron‒iron and iron‒zinc complexes of the redox-active ONO pincer ligand","Chem. Sci.","2016","7","2","1594","","10.1039/C5SC03006D","","","0.71073","MoKα","","0.0503","0.0435","","","0.0978","0.1005","","","","","","1.074","","","","has coordinates","175138","2020-10-21","18:00:00",""
"1542323","18.9411","0.001","8.6917","0.0004","33.5158","0.0017","90","","90","","90","","5517.7","0.5","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","Co(terpy)2(TCNQ)3(CH3CN)","Cobalt(II) bis(2,2?:6?,2??-terpyridine) tri-7,7,8,8-tetracyanoquinodimethanide acetonitrile","","- C68 H37 Co N19 -","- C68 H37 Co N19 -","- C272 H148 Co4 N76 -","4","1","","Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.","A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior","Chem. Sci.","2016","7","2","1569","","10.1039/C5SC03547C","","","0.71073","MoKα","","0.0796","0.0507","","","0.1083","0.1243","","","","","","1.01","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542324","19.087","0.007","8.742","0.003","33.634","0.012","90","","90","","90","","5612","3","150","2","150.15","","","","","","","","","4","P n a 21","P 2c -2n","33","Co(terpy)2(TCNQ)3(CH3CN)","Cobalt(II) bis(2,2?:6?,2??-terpyridine) tri-7,7,8,8-tetracyanoquinodimethanide acetonitrile","","- C68 H37 Co N19 -","- C68 H37 Co N19 -","- C272 H148 Co4 N76 -","4","1","","Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.","A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior","Chem. Sci.","2016","7","2","1569","","10.1039/C5SC03547C","","","0.71073","MoKα","","0.0838","0.045","","","0.0713","0.0817","","","","","","0.864","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542325","18.969","0.006","8.681","0.003","33.397","0.01","90","","90","","90","","5499","3","180.15","","180.15","","","","","","","","","4","P n a 21","P 2c -2n","33","Co(terpy)2(TCNQ)3(CH3CN)","Cobalt(II) bis(2,2?:6?,2??-terpyridine) tri-7,7,8,8-tetracyanoquinodimethanide acetonitrile","","- C68 H37 Co N19 -","- C68 H37 Co N19 -","- C272 H148 Co4 N76 -","4","1","","Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.","A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior","Chem. Sci.","2016","7","2","1569","","10.1039/C5SC03547C","","","0.71073","MoKα","","0.1258","0.0508","","","0.0868","0.124","","","","","","0.845","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542326","19.2853","0.0015","8.727","0.0007","33.589","0.003","90","","90","","90","","5653.1","0.8","300","2","300","","","","","","","","","4","P n a 21","P 2c -2n","33","","Cobalt(II) bis(2,2?:6?,2??-terpyridine) tri-7,7,8,8-tetracyanoquinodimethanide acetonitrile","","- C68 H37 Co N19 -","- C68 H37 Co N19 -","- C272 H148 Co4 N76 -","4","1","","Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.","A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior","Chem. Sci.","2016","7","2","1569","","10.1039/C5SC03547C","","","0.71073","MoKα","","0.0757","0.0482","","","0.1173","0.1483","","","","","","1.046","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542327","18.967","0.003","8.6864","0.0012","33.532","0.005","90","","90","","90","","5524.6","1.4","130.15","","130","","","","","","","","","4","P n a 21","P 2c -2n","33","Co(terpy)2(TCNQ)3_MeCN","Cobalt(II) bis(2,2';6',2""-terpyridine) tetracyanoquinodimethanide mono acetonitrile","","- C68 H37 Co N19 -","- C68 H37 Co N19 -","- C272 H148 Co4 N76 -","4","1","","Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.","A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior","Chem. Sci.","2016","7","2","1569","","10.1039/C5SC03547C","","","0.71073","MoKα","","0.0854","0.0451","","","0.0783","0.0888","","","","","","0.872","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542328","19.074","0.006","8.705","0.003","33.611","0.01","90","","90","","90","","5581","3","190","","190","","","","","","","","","4","P n a 21","P 2c -2n","33","Co(terpy)2(TCNQ)3_MeCN","Cobalt(II) bis(2,2';6',2""-terpyridine) tetracyanoquinodimethanide mono acetonitrile","","- C68 H37 Co N19 -","- C68 H37 Co N19 -","- C272 H148 Co4 N76 -","4","1","","Zhang, Xuan; Wang, Zhao-Xi; Xie, Haomiao; Li, Ming-Xing; Woods, Toby J.; Dunbar, Kim R.","A cobalt(ii) spin-crossover compound with partially charged TCNQ radicals and an anomalous conducting behavior","Chem. Sci.","2016","7","2","1569","","10.1039/C5SC03547C","","","0.71073","MoKα","","0.0799","0.0475","","","0.071","0.0829","","","","","","1.018","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542329","22.597","0.002","8.0328","0.0006","20.9789","0.0019","90","","98.073","0.005","90","","3770.3","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dibromo Dithieno[2,3-d;2?,3?-d]benzo[2,1-b:3,4-b']dithiophene","Br2-DTmBDT","","- C38 H52 Br2 S4 -","- C38 H52 Br2 S4 -","- C152 H208 Br8 S16 -","4","1","","Keerthi, Ashok; An, Cunbin; Li, Mengmeng; Marszalek, Tomasz; Ricciardulli, Antonio Gaetano; Radha, Boya; Alsewailem, Fares D.; Müllen, Klaus; Baumgarten, Martin","Dithieno[2,3-d;2′,3′-d]benzo[2,1-b;3,4-b‘]dithiophene: a novel building-block for a planar copolymer","Polym. Chem.","2016","7","8","1545","","10.1039/C6PY00023A","","","0.71073","MoKα","","0.0771","0.0432","","","0.0891","0.101","","","","","","0.987","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542334","20.7004","0.0008","32.7257","0.0012","14.3246","0.0005","90","","107.689","0.001","90","","9245.2","0.6","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Ru(Phen)2(DPPZ)]2PF6","","- C47.5 H34.25 F12 N10.75 P2 Ru -","- C47.5 H34.25 F12 N10.75 P2 Ru -","- C380 H274 F96 N86 P16 Ru8 -","8","2","","Poynton, Fergus E.; Hall, James P.; Keane, Páraic M.; Schwarz, Christine; Sazanovich, Igor V.; Towrie, Michael; Gunnlaugsson, Thorfinnur; Cardin, Christine J.; Cardin, David J.; Quinn, Susan J.; Long, Conor; Kelly, John M.","Direct observation by time-resolved infrared spectroscopy of the bright and the dark excited states of the [Ru(phen)2(dppz)]2+light-switch compound in solution and when bound to DNA","Chem. Sci.","2016","7","5","3075","","10.1039/C5SC04514B","","","0.71073","MoKα","","0.063","0.0455","","","0.1008","0.109","","","","","","1.053","","","","has coordinates,has disorder","301779","2025-08-18","16:06:44",""
"1542335","14.59","0.003","17.504","0.004","28.499","0.006","90","","101.456","0.003","90","","7133","3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34.5 Cl2.5 Cu F6 N3 O4 P -","- C33 H34.5 Cl2.5 Cu F6 N3 O4 P -","- C264 H276 Cl20 Cu8 F48 N24 O32 P8 -","8","2","","Lewis, J. E. M.; Bordoli, R. J.; Denis, M.; Fletcher, C. J.; Galli, M.; Neal, E. A.; Rochette, E. M.; Goldup, S. M.","High yielding synthesis of 2,2′-bipyridine macrocycles, versatile intermediates in the synthesis of rotaxanes","Chem. Sci.","2016","7","5","3154","","10.1039/C6SC00011H","","","0.71073","MoKα","","0.1628","0.1095","","","0.3244","0.363","","","","","","1.267","","","","has coordinates,has disorder","217275","2020-10-21","18:00:00",""
"1542336","9.688","0.002","11.374","0.002","13.628","0.003","100.535","0.001","110.126","0.001","109.435","0.002","1252.4","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H60 N4 O8 -","- C60 H60 N4 O8 -","- C60 H60 N4 O8 -","1","0.5","","Lewis, J. E. M.; Bordoli, R. J.; Denis, M.; Fletcher, C. J.; Galli, M.; Neal, E. A.; Rochette, E. M.; Goldup, S. M.","High yielding synthesis of 2,2′-bipyridine macrocycles, versatile intermediates in the synthesis of rotaxanes","Chem. Sci.","2016","7","5","3154","","10.1039/C6SC00011H","","","0.71073","MoKα","","0.0667","0.0515","","","0.1451","0.1645","","","","","","1.034","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542337","10.1938","0.0016","25.558","0.004","21.504","0.003","90","","91.243","0.002","90","","5601.2","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H75 Cl2 N5 O5 -","- C61 H75 Cl2 N5 O5 -","- C244 H300 Cl8 N20 O20 -","4","1","","Lewis, J. E. M.; Bordoli, R. J.; Denis, M.; Fletcher, C. J.; Galli, M.; Neal, E. A.; Rochette, E. M.; Goldup, S. M.","High yielding synthesis of 2,2′-bipyridine macrocycles, versatile intermediates in the synthesis of rotaxanes","Chem. Sci.","2016","7","5","3154","","10.1039/C6SC00011H","","","0.71073","MoKα","","0.1553","0.084","","","0.2327","0.3066","","","","","","0.865","","","","has coordinates,has disorder","301779","2025-08-18","16:06:44",""
"1542346","14.438","0.006","15.006","0.007","16.156","0.007","104.214","0.008","92.043","0.006","94.227","0.007","3379","3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C151 H146 Cl6 N8 O12 -","- C151 H146 Cl6 N8 O12 -","- C151 H146 Cl6 N8 O12 -","1","0.5","","Katoono, Ryo; Kawai, Shunsuke; Suzuki, Takanori","Dynamic helical cyclophanes with two quadruply-bridged planes arranged in an “obverse and/or reverse” relation","Chem. Sci.","2016","7","5","3240","","10.1039/C5SC04673D","","","0.71075","MoKα","","","0.0794","","","","0.23","","","","","","1.269","","","","has coordinates","182616","2020-10-21","18:00:00",""
"1542354","6.9686","0.0004","22.9724","0.0013","17.7667","0.0012","90","","96.495","0.001","90","","2825.9","0.3","173","2","173.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Cl Co F6 N5 O3 P -","- C23 H28 Cl Co F6 N5 O3 P -","- C92 H112 Cl4 Co4 F24 N20 O12 P4 -","4","1","","Basu, Debashis; Mazumder, Shivnath; Niklas, Jens; Baydoun, Habib; Wanniarachchi, Dakshika; Shi, Xuetao; Staples, Richard J.; Poluektov, Oleg; Schlegel, H. Bernhard; Verani, Cláudio N.","Evaluation of the coordination preferences and catalytic pathways of heteroaxial cobalt oximes towards hydrogen generation","Chem. Sci.","2016","7","5","3264","","10.1039/C5SC04214C","","","0.71073","MoKα","","0.0788","0.0518","","","0.1385","0.1609","","","","","","1.043","","","","has coordinates","201208","2020-10-21","18:00:00",""
"1542355","28.715","0.004","28.715","0.004","7.0017","0.0009","90","","90","","90","","5773.3","1.4","173","2","173","2","","","","","","","","8","I -4","I -4","82","","","","- C21 H34 Cl3 Co F6 N5 O2 P -","- C20 H32 Cl Co F6 N5 O2 P -","- C160 H256 Cl8 Co8 F48 N40 O16 P8 -","8","1","","Basu, Debashis; Mazumder, Shivnath; Niklas, Jens; Baydoun, Habib; Wanniarachchi, Dakshika; Shi, Xuetao; Staples, Richard J.; Poluektov, Oleg; Schlegel, H. Bernhard; Verani, Cláudio N.","Evaluation of the coordination preferences and catalytic pathways of heteroaxial cobalt oximes towards hydrogen generation","Chem. Sci.","2016","7","5","3264","","10.1039/C5SC04214C","","x-ray","0.71073","MoKα","","0.0385","0.0355","","","0.0946","0.0964","","","","","","1.07","","","","has coordinates","182622","2020-10-21","18:00:00",""
"1542356","14.9757","0.0013","10.6987","0.0013","24.941","0.003","90","","98.286","0.008","90","","3954.3","0.8","100","2","100.1","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Co N5 O2 -","- C20 H30 Co N5 O2 -","- C160 H240 Co8 N40 O16 -","8","1","","Basu, Debashis; Mazumder, Shivnath; Niklas, Jens; Baydoun, Habib; Wanniarachchi, Dakshika; Shi, Xuetao; Staples, Richard J.; Poluektov, Oleg; Schlegel, H. Bernhard; Verani, Cláudio N.","Evaluation of the coordination preferences and catalytic pathways of heteroaxial cobalt oximes towards hydrogen generation","Chem. Sci.","2016","7","5","3264","","10.1039/C5SC04214C","","","0.71073","MoKα","","0.1531","0.0597","","","0.07","0.0873","","","","","","0.944","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542357","12.5242","0.0014","16.7919","0.0019","18.462","0.002","90","","91.466","0.001","90","","3881.4","0.7","173","2","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H49 Co F12 N6 O3 P2 -","- C30 H49 Co F12 N6 O3 P2 -","- C120 H196 Co4 F48 N24 O12 P8 -","4","1","","Basu, Debashis; Mazumder, Shivnath; Niklas, Jens; Baydoun, Habib; Wanniarachchi, Dakshika; Shi, Xuetao; Staples, Richard J.; Poluektov, Oleg; Schlegel, H. Bernhard; Verani, Cláudio N.","Evaluation of the coordination preferences and catalytic pathways of heteroaxial cobalt oximes towards hydrogen generation","Chem. Sci.","2016","7","5","3264","","10.1039/C5SC04214C","","x-ray","0.71073","MoKα","","0.0827","0.0579","","","0.1515","0.1704","","","","","","1.054","","","","has coordinates","182622","2020-10-21","18:00:00",""
"1542358","14.6868","0.0018","15.5818","0.0014","17.997","0.002","69.889","0.003","66.513","0.002","67.869","0.002","3406.9","0.6","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C62 H57 Cl2 F12 Mn N15 O3 P2 Ru2 -","- C62 H57 Cl2 F12 Mn N15 O3 P2 Ru2 -","- C124 H114 Cl4 F24 Mn2 N30 O6 P4 Ru4 -","2","1","","Mognon, Lorenzo; Mandal, Sukanta; Castillo, Carmen E.; Fortage, Jérôme; Molton, Florian; Aromí, Guillem; Benet-Buchhlolz, Jordi; Collomb, Marie-Noëlle; Llobet, Antoni","Synthesis, structure, spectroscopy and reactivity of new heterotrinuclear water oxidation catalysts","Chem. Sci.","2016","7","5","3304","","10.1039/C5SC04672F","","","0.71073","MoKα","","0.1549","0.0741","","","0.1992","0.2546","","","","","","1.019","","","","has coordinates,has disorder","182628","2020-10-21","18:00:00",""
"1542359","14.471","0.003","15.501","0.004","16.913","0.004","114.334","0.005","112.431","0.004","91.203","0.005","3122.9","1.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C61 H50 F12 Mn N14 O5 P2 Ru2 -","- C61 H50 F12.152 Mn N14 O5 P2 Ru2 -","- C122 H100 F24.304 Mn2 N28 O10 P4 Ru4 -","2","1","","Mognon, Lorenzo; Mandal, Sukanta; Castillo, Carmen E.; Fortage, Jérôme; Molton, Florian; Aromí, Guillem; Benet-Buchhlolz, Jordi; Collomb, Marie-Noëlle; Llobet, Antoni","Synthesis, structure, spectroscopy and reactivity of new heterotrinuclear water oxidation catalysts","Chem. Sci.","2016","7","5","3304","","10.1039/C5SC04672F","","","0.71073","MoKα","","0.1433","0.0696","","","0.1485","0.1785","","","","","","1.036","","","","has coordinates,has disorder","182628","2020-10-21","18:00:00",""
"1542406","19.1242","0.0017","16.7581","0.0014","18.8909","0.0019","90","","90","","90","","6054.3","1","90","2","90","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C62 H80 N2 O2 P2 Si2 Th -","- C62 H80 N2 O2 P2 Si2 Th -","- C248 H320 N8 O8 P8 Si8 Th4 -","4","0.5","","Gregson, Matthew; Lu, Erli; Tuna, Floriana; McInnes, Eric J. L.; Hennig, Christoph; Scheinost, Andreas C.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Kerridge, Andrew; Liddle, Stephen T.","Emergence of comparable covalency in isostructural cerium(iv)‒ and uranium(iv)‒carbon multiple bonds","Chem. Sci.","2016","7","5","3286","","10.1039/C6SC00278A","","","0.71073","MoKα","","0.066","0.0387","","","0.0761","0.085","","","","","","1.095","","","","has coordinates,has disorder","182630","2020-10-21","18:00:00",""
"1542407","18.4956","0.0002","16.94471","0.00014","18.98054","0.00016","90","","90","","90","","5948.55","0.1","90","2","90","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C59 H82 N2 O3 P2 Si2 U -","- C59 H82 N2 O3 P2 Si2 U -","- C236 H328 N8 O12 P8 Si8 U4 -","4","0.5","","Gregson, Matthew; Lu, Erli; Tuna, Floriana; McInnes, Eric J. L.; Hennig, Christoph; Scheinost, Andreas C.; McMaster, Jonathan; Lewis, William; Blake, Alexander J.; Kerridge, Andrew; Liddle, Stephen T.","Emergence of comparable covalency in isostructural cerium(iv)‒ and uranium(iv)‒carbon multiple bonds","Chem. Sci.","2016","7","5","3286","","10.1039/C6SC00278A","","","1.54184","CuKα","","0.0221","0.022","","","0.0585","0.0586","","","","","","1.12","","","","has coordinates,has disorder","182630","2020-10-21","18:00:00",""
"1542408","7.47301","0.0001","12.0802","0.00015","15.6344","0.0002","90","","90","","90","","1411.4","0.03","100","","100.02","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","4-methoxyphenyl 1,3-dihydro-2-benzofuran-1-ylacetate","","- C17 H16 O4 -","- C17 H16 O4 -","- C68 H64 O16 -","4","1","","Weldy, N. Mace; Schafer, A. G.; Owens, C. P.; Herting, C. J.; Varela-Alvarez, A.; Chen, S.; Niemeyer, Z.; Musaev, D. G.; Sigman, M. S.; Davies, H. M. L.; Blakey, S. B.","Iridium(iii)-bis(imidazolinyl)phenyl catalysts for enantioselective C–H functionalization with ethyl diazoacetate","Chem. Sci.","2016","7","5","3142","","10.1039/C6SC00190D","","x-ray","1.54178","CuKα","","0.0273","0.027","","","0.0668","0.067","","","","","","1.101","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542422","11.854","0.006","6.07","0.003","12.641","0.006","90","","104.097","0.006","90","","882.2","0.8","100","2","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H25 N3 Ni O3 -","- C18 H25 N3 Ni O3 -","- C36 H50 N6 Ni2 O6 -","2","1","","Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H.","Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C–H oxygenation","Chem. Sci.","2016","7","6","3533","","10.1039/C5SC04644K","","x-ray","0.71073","MoKα","","0.0463","0.0345","","","0.0631","0.0662","","","","","","0.977","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542423","6.25709","0.0001","16.6261","0.0003","17.4692","0.0002","90","","90","","90","","1817.34","0.05","110","1","110","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N3 Ni O4 -","- C18 H25 N3 Ni O4 -","- C72 H100 N12 Ni4 O16 -","4","1","","Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H.","Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C–H oxygenation","Chem. Sci.","2016","7","6","3533","","10.1039/C5SC04644K","","x-ray","0.71073","MoKα","","0.0577","0.0451","","","0.1251","0.1319","","","","","","1.116","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542424","11.065","0.005","13.046","0.006","20.098","0.009","90","","90","","90","","2901","2","100","2","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H42 N4 Ni O5 -","- C28 H42 N4 Ni O5 -","- C112 H168 N16 Ni4 O20 -","4","1","","Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H.","Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C–H oxygenation","Chem. Sci.","2016","7","6","3533","","10.1039/C5SC04644K","","x-ray","0.71073","MoKα","","0.0448","0.0354","","","0.0832","0.0879","","","","","","1.042","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542425","6.41635","0.00007","10.31527","0.00011","32.9233","0.0005","90","","90","","90","","2179.07","0.05","120","1","120","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N3 Ni O4 -","- C25 H25 N3 Ni O4 -","- C100 H100 N12 Ni4 O16 -","4","1","","Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H.","Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C–H oxygenation","Chem. Sci.","2016","7","6","3533","","10.1039/C5SC04644K","","x-ray","1.54184","CuKα","","0.0229","0.0228","","","0.0575","0.0576","","","","","","1.094","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542426","10.1489","0.00006","12.0802","0.00007","17.62895","0.00014","90","","90","","90","","2161.32","0.02","120","1","120","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H23 N3 Ni O4 -","- C25 H23 N3 Ni O4 -","- C100 H92 N12 Ni4 O16 -","4","1","","Rettenmeier, Christoph A.; Wadepohl, Hubert; Gade, Lutz H.","Electronic structure and reactivity of nickel(i) pincer complexes: their aerobic transformation to peroxo species and site selective C–H oxygenation","Chem. Sci.","2016","7","6","3533","","10.1039/C5SC04644K","","x-ray","1.54184","CuKα","","0.0208","0.0205","","","0.0526","0.0528","","","","","","1.065","","","","has coordinates,has disorder","301779","2025-08-18","16:06:44",""
"1542427","16.7003","0.0009","14.0892","0.0012","9.3429","0.0006","90","","96.029","0.006","90","","2186.2","0.3","101.8","","101.8","","","","","","","","","3","C 1 c 1","C -2yc","9","","2,4-2CzBN","","- C31 H19 N3 -","- C31 H19 N3 -","- C124 H76 N12 -","4","1","","Zhang, Dongdong; Cai, Minghan; Bin, Zhengyang; Zhang, Yunge; Zhang, Deqiang; Duan, Lian","Highly efficient blue thermally activated delayed fluorescent OLEDs with record-low driving voltages utilizing high triplet energy hosts with small singlet–triplet splittings","Chem. Sci.","2016","7","5","3355","","10.1039/C5SC04755B","","","0.7107","MoKα","","0.039","0.0355","","","0.0784","0.0806","","","","","","1.055","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542428","8.4562","0.0016","7.9666","0.0014","34.004","0.006","90","","94.974","0.004","90","","2282.1","0.7","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2,6-2CzBN","","- C31 H19 N3 -","- C31 H19 N3 -","- C124 H76 N12 -","4","1","","Zhang, Dongdong; Cai, Minghan; Bin, Zhengyang; Zhang, Yunge; Zhang, Deqiang; Duan, Lian","Highly efficient blue thermally activated delayed fluorescent OLEDs with record-low driving voltages utilizing high triplet energy hosts with small singlet–triplet splittings","Chem. Sci.","2016","7","5","3355","","10.1039/C5SC04755B","","","0.71073","MoKα","","0.1834","0.0746","","","0.1092","0.134","","","","","","1.05","","","","has coordinates,has disorder","301779","2025-08-18","16:06:44",""
"1542429","9.1838","0.0015","13.264","0.002","18.172","0.003","90","","97.142","0.004","90","","2196.4","0.6","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,5-2CzBN","","- C31 H19 N3 -","- C31 H19 N3 -","- C124 H76 N12 -","4","1","","Zhang, Dongdong; Cai, Minghan; Bin, Zhengyang; Zhang, Yunge; Zhang, Deqiang; Duan, Lian","Highly efficient blue thermally activated delayed fluorescent OLEDs with record-low driving voltages utilizing high triplet energy hosts with small singlet–triplet splittings","Chem. Sci.","2016","7","5","3355","","10.1039/C5SC04755B","","","0.71073","MoKα","","0.1232","0.0584","","","0.0888","0.1029","","","","","","1.081","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542430","12.8317","0.0004","7.8512","0.0003","17.4533","0.0008","90","","90.411","0.002","90","","1758.27","0.12","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C50 H32 N2 -","- C50 H32 N2 -","- C100 H64 N4 -","2","0.5","","Chen, Ying-Hsiao; Tang, Kuo-Chun; Chen, Yi-Ting; Shen, Jiun-Yi; Wu, Yu-Sin; Liu, Shih-Hung; Lee, Chun-Shu; Chen, Chang-Hsuan; Lai, Tzu-Yu; Tung, Shih-Huang; Jeng, Ru-Jong; Hung, Wen-Yi; Jiao, Min; Wu, Chung-Chih; Chou, Pi-Tai","Insight into the mechanism and outcoupling enhancement of excimer-associated white light generation","Chem. Sci.","2016","7","6","3556","","10.1039/C5SC04902D","","","0.71073","MoKα","","0.1489","0.059","","","0.1219","0.1587","","","","","","1.017","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542431","10.3052","0.001","33.5364","0.0019","10.5825","0.0011","90","","117.953","0.013","90","","3230.6","0.6","151","2","151","2","","","","","","","University of Manchester","5","P 1 21/n 1","-P 2yn","14","","[9-BBN(i-DCDM)][HBCF]","","- C33 H27 B2 F15 N2 -","- C33 H27.0001 B2 F15 N2 -","- C132 H108 B8 F60 N8 -","4","1","","McGough, John S.; Butler, Samuel M.; Cade, Ian A.; Ingleson, Michael J.","Highly selective catalytic trans-hydroboration of alkynes mediated by borenium cations and B(C6F5)3","Chem. Sci.","2016","7","5","3384","","10.1039/C5SC04798F","","","0.71073","MoKα","","0.0985","0.0717","","0.1613","0.1491","0.1613","","","","","","1.0269","","","","has coordinates","182632","2020-10-21","18:00:00",""
"1542432","7.3696","0.0005","11.5512","0.0008","17.0873","0.0009","90","","93.641","0.005","90","","1451.67","0.16","150.01","0.13","150.01","0.13","","","","","","","University of Manchester","4","P 1 21/c 1","-P 2ybc","14","","9-BBN(H)(IMe4)","","- C15 H27 B N2 -","- C15 H27 B N2 -","- C60 H108 B4 N8 -","4","1","","McGough, John S.; Butler, Samuel M.; Cade, Ian A.; Ingleson, Michael J.","Highly selective catalytic trans-hydroboration of alkynes mediated by borenium cations and B(C6F5)3","Chem. Sci.","2016","7","5","3384","","10.1039/C5SC04798F","","","0.7107","MoKα","","0.0862","0.0516","","0.1277","0.1162","0.1277","","","","","","0.9866","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542433","8.8757","0.0006","20.3411","0.0011","10.7976","0.0007","90","","101.728","0.007","90","","1908.7","0.2","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","[9-BBN(I-DCDM)2][HBCF]","","- C36 H27 B2 Cl4 F15 N4 -","- C36 H27 B2 Cl4 F15 N4 -","- C72 H54 B4 Cl8 F30 N8 -","2","1","","McGough, John S.; Butler, Samuel M.; Cade, Ian A.; Ingleson, Michael J.","Highly selective catalytic trans-hydroboration of alkynes mediated by borenium cations and B(C6F5)3","Chem. Sci.","2016","7","5","3384","","10.1039/C5SC04798F","","","0.7107","MoKα","","0.0725","0.0528","","0.0879","0.0785","0.0879","","","","","","0.9775","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542434","15.2641","0.0004","10.389","0.0003","19.5887","0.0006","90","","92.115","0.003","90","","3104.24","0.15","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[1,3-Me2-4,5-Cl2-imidazolium][B((C6F5)3)-Z-(2-methylstyrene)]","","- C32 H16 B Cl2 F15 N2 -","- C32 H16 B Cl2 F15 N2 -","- C128 H64 B4 Cl8 F60 N8 -","4","1","","McGough, John S.; Butler, Samuel M.; Cade, Ian A.; Ingleson, Michael J.","Highly selective catalytic trans-hydroboration of alkynes mediated by borenium cations and B(C6F5)3","Chem. Sci.","2016","7","5","3384","","10.1039/C5SC04798F","","","0.71073","MoKα","","0.0714","0.0487","","0.1035","0.0916","0.1035","","","","","","0.9732","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542436","8.6885","0.001","12.1849","0.0012","18.105","0.002","79.834","0.005","85.356","0.006","81.823","0.005","1864.4","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","'LZr(CH3)2'","","- C42 H53 B N2 Si Zr -","- C42 H53 B N2 Si Zr -","- C84 H106 B2 N4 Si2 Zr2 -","2","1","","Wang, Min; Wang, Dongren; Widmann, Laura; Frey, Wolfgang; Buchmeiser, Michael R.","Tandem vinyl insertion-/ring-opening metathesis copolymerization with ansa-6-[2-(dimesitylboryl)-phenyl]pyrid-2-ylamido zirconium complexes: role of trialkylaluminum and MAO","Polym. Chem.","2016","7","10","1987","","10.1039/C6PY00078A","","","0.71073","MoKα","","0.0738","0.0423","","","0.0769","0.0833","","","","","","1.041","","","","has coordinates","177938","2020-10-21","18:00:00",""
"1542437","27.914","0.002","16.0147","0.0009","10.2151","0.0007","90","","95.322","0.004","90","","4546.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","'LZr(Bn)2'","","- C54 H61 B N2 Si Zr -","- C54 H61 B N2 Si Zr -","- C216 H244 B4 N8 Si4 Zr4 -","4","1","","Wang, Min; Wang, Dongren; Widmann, Laura; Frey, Wolfgang; Buchmeiser, Michael R.","Tandem vinyl insertion-/ring-opening metathesis copolymerization with ansa-6-[2-(dimesitylboryl)-phenyl]pyrid-2-ylamido zirconium complexes: role of trialkylaluminum and MAO","Polym. Chem.","2016","7","10","1987","","10.1039/C6PY00078A","","","0.71073","MoKα","","0.2007","0.0651","","","0.1143","0.1337","","","","","","1.061","","","","has coordinates","177938","2020-10-21","18:00:00",""
"1542438","11.1492","0.0005","11.3188","0.0005","20.2772","0.0009","89.308","0.002","82.967","0.002","77.549","0.002","2479.64","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","'LZr(CH2SiMe3)2'","","- C50 H74 B N2 O0.5 Si3 Zr -","- C50 H74 B N2 O0.5 Si3 Zr -","- C100 H148 B2 N4 O Si6 Zr2 -","2","1","","Wang, Min; Wang, Dongren; Widmann, Laura; Frey, Wolfgang; Buchmeiser, Michael R.","Tandem vinyl insertion-/ring-opening metathesis copolymerization with ansa-6-[2-(dimesitylboryl)-phenyl]pyrid-2-ylamido zirconium complexes: role of trialkylaluminum and MAO","Polym. Chem.","2016","7","10","1987","","10.1039/C6PY00078A","","","0.71073","MoKα","","0.044","0.0309","","","0.079","0.0835","","","","","","1.048","","","","has coordinates,has disorder","177938","2020-10-21","18:00:00",""
"1542447","12.9375","0.0002","11.6146","0.0002","32.205","0.002","90","","94.227","0.007","90","","4826.1","0.3","93","2","93","2","","","","","","","None","6","P 1 21/c 1","-P 2ybc","14","28","Peptidine 28","","- C49 H60 Cl N7 O6 S3 -","- C49 H60 Cl N7 O6 S3 -","- C196 H240 Cl4 N28 O24 S12 -","4","1","","Vastl, Julian; Kartika, Rendy; Park, Kichul; Cho, Art E.; Spiegel, David A.","Peptidines: glycine-amidine-based oligomers for solution- and solid-phase synthesis","Chem. Sci.","2016","7","5","3317","","10.1039/C5SC03882K","","","1.54187","CuKα","","0.0909","0.0697","","","0.1864","0.2067","","","","","","1.086","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542448","10.5922","0.0006","12.3446","0.0008","15.3053","0.0009","107.337","0.001","90.559","0.001","90.554","0.001","1910.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H34 Br Dy N13 O6.5 -","- C34 H30 Br Dy N13 O6.5 -","- C68 H60 Br2 Dy2 N26 O13 -","2","1","","Wu, Jianfeng; Jung, Julie; Zhang, Peng; Zhang, Haixia; Tang, Jinkui; Le Guennic, Boris","Cis‒trans isomerism modulates the magnetic relaxation of dysprosium single-molecule magnets","Chem. Sci.","2016","7","6","3632","","10.1039/C5SC04510J","","","0.71073","MoKα","","0.1017","0.0604","","","0.1185","0.1418","","","","","","1.008","","","","has coordinates","185137","2020-10-21","18:00:00",""
"1542449","30.25","0.005","17.599","0.003","20.537","0.003","90","","129.531","0.011","90","","8433","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H30 Dy N13 O9 -","- C32 H30 Dy N13 O8.5 -","- C256 H240 Dy8 N104 O68 -","8","1","","Wu, Jianfeng; Jung, Julie; Zhang, Peng; Zhang, Haixia; Tang, Jinkui; Le Guennic, Boris","Cis‒trans isomerism modulates the magnetic relaxation of dysprosium single-molecule magnets","Chem. Sci.","2016","7","6","3632","","10.1039/C5SC04510J","","","0.71073","MoKα","","0.0769","0.0511","","","0.153","0.1661","","","","","","0.994","","","","has coordinates","185137","2020-10-21","18:00:00",""
"1542450","20.791","0.002","18.7611","0.0018","13.6144","0.0014","90","","129.032","0.002","90","","4125.1","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C33 H34 Dy F3 N12 O11 S -","- C33 H30 Dy F3 N12 O11 S -","- C132 H120 Dy4 F12 N48 O44 S4 -","4","0.5","","Wu, Jianfeng; Jung, Julie; Zhang, Peng; Zhang, Haixia; Tang, Jinkui; Le Guennic, Boris","Cis‒trans isomerism modulates the magnetic relaxation of dysprosium single-molecule magnets","Chem. Sci.","2016","7","6","3632","","10.1039/C5SC04510J","","","0.71073","MoKα","","0.0646","0.0508","","","0.139","0.1492","","","","","","1.09","","","","has coordinates","185137","2020-10-21","18:00:00",""
"1542521","8.8945","0.0002","21.16","0.0005","9.0481","0.0002","90","","91.63","0.0019","90","","1702.23","0.07","99.9","0.3","99.9","0.3","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C84 H96 O12 -","4","2","","Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker","Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes","Chem. Sci.","2016","7","6","3649","","10.1039/C6SC00185H","","x-ray","0.71073","MoKα","","0.0451","0.0368","","","0.0783","0.0847","","","","","","1.074","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542522","7.503","0.003","10.304","0.005","10.253","0.005","90","","92.82","0.04","90","","791.7","0.6","293.02","0.1","293.02","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H20 O3 -","- C18 H20 O3 -","- C36 H40 O6 -","2","1","","Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker","Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes","Chem. Sci.","2016","7","6","3649","","10.1039/C6SC00185H","","x-ray","0.71073","MoKα","","0.2768","0.104","","","0.2241","0.3441","","","","","","0.959","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542523","7.5376","0.0006","10.5784","0.001","23.8774","0.0019","90","","90","","90","","1903.9","0.3","100","0.2","100","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 O3 -","- C22 H28 O3 -","- C88 H112 O12 -","4","1","","Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker","Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes","Chem. Sci.","2016","7","6","3649","","10.1039/C6SC00185H","","x-ray","0.71073","MoKα","","0.1427","0.0645","","","0.0978","0.13","","","","","","1.0032","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542524","6.1506","0.0018","7.564","0.002","28.362","0.008","90","","90","","90","","1319.5","0.6","100","2","100.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br O2 -","- C15 H13 Br O2 -","- C60 H52 Br4 O8 -","4","1","","Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker","Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes","Chem. Sci.","2016","7","6","3649","","10.1039/C6SC00185H","","x-ray","0.56086","AgKα","","0.047","0.0357","","","0.0693","0.0739","","","","","","1.003","","","","has coordinates","185132","2020-10-21","18:00:00",""
"1542525","8.6911","0.0005","9.1112","0.0004","21.5901","0.001","90","","90","","90","","1709.64","0.15","100.01","0.16","100.01","0.16","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O3 -","- C20 H24 O3 -","- C80 H96 O12 -","4","1","","Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker","Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes","Chem. Sci.","2016","7","6","3649","","10.1039/C6SC00185H","","x-ray","0.71073","MoKα","","0.1907","0.0698","","","0.1552","0.2308","","","","","","0.9793","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542526","7.0175","0.0004","11.1406","0.0006","11.9874","0.0006","90","","90","","90","","937.16","0.09","110","14","110","14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 O2 -","- C12 H10 O2 -","- C48 H40 O8 -","4","1","","Hammer, Niels; Leth, Lars A.; Stiller, Julian; Jensen, Magnus E.; Jørgensen, Karl Anker","Oxadendralenes in asymmetric organocatalysis for the construction of tetrahydroisochromenes","Chem. Sci.","2016","7","6","3649","","10.1039/C6SC00185H","","x-ray","0.71073","MoKα","","0.076","0.0521","","","0.1119","0.1312","","","","","","1.067","","","","has coordinates","185132","2020-10-21","18:00:00",""
"1542527","22.825","0.003","22.825","0.003","22.825","0.003","90","","90","","90","","11891","3","","","","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C72 H45 Ir N3 -","- C72 H45 Ir N3 -","- C576 H360 Ir8 N24 -","8","0.333333","","Pan, Long; Xu, Meng-Ying; Feng, Li-Juan; Chen, Qi; He, Yu-Jian; Han, Bao-Hang","Conjugated microporous polycarbazole containing tris(2-phenylpyridine)iridium(iii) complexes: phosphorescence, porosity, and heterogeneous organic photocatalysis","Polym. Chem.","2016","7","12","2299","","10.1039/C5PY01955A","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","181808","2020-10-21","18:00:00",""
"1542533","6.0485","0.0007","6.9813","0.0004","15.2806","0.0016","94.625","0.006","94.955","0.009","95.942","0.007","636.76","0.11","180.01","0.1","180.01","0.1","","","","","","","","4","P -1","-P 1","2","P662T-3H","3,7-bis(3-hexylthiophen-2-yl)pyrano[4,3-c]pyran-1,5-dione","","- C28 H32 O4 S2 -","- C28 H32 O4 S2 -","- C28 H32 O4 S2 -","1","0.5","","Wang, Xiao-Ye; Zhang, Meng-Wen; Zhuang, Fang-Dong; Wang, Jie-Yu; Pei, Jian","Lactone-fused electron-deficient building blocks for n-type polymer field-effect transistors: synthesis, properties, and impact of alkyl substitution positions","Polym. Chem.","2016","7","12","2264","","10.1039/C6PY00143B","","","0.7107","MoKα","","0.1171","0.0745","","","0.1791","0.2069","","","","","","1.025","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542539","11.1671","0.0002","7.62443","0.00014","14.6056","0.0003","90","","94.1026","0.0019","90","","1240.37","0.04","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H27 N O7 S -","- C26 H27 N O7 S -","- C52 H54 N2 O14 S2 -","2","1","","Liao, Yuting; Liu, Xiaohua; Zhang, Yu; Xu, Yali; Xia, Yong; Lin, Lili; Feng, Xiaoming","Asymmetric [3 + 2] cycloaddition of donor–acceptor aziridines with aldehydes via carbon–carbon bond cleavage","Chem. Sci.","2016","7","6","3775","","10.1039/C5SC04151A","","x-ray","1.54184","CuKα","","0.0534","0.0526","","","0.1353","0.1366","","","","","","1.071","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542546","10.5883","0.0014","21.967","0.002","14.4286","0.0016","90","","95.682","0.006","90","","3339.5","0.7","100","","100.01","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cu(SAr)2][Na(12-crown-4)2]","[Cu(SAr)2][Na(12-crown-4)2]","","- C32 H50 Cu Na O8 S2 -","- C32 H50 Cu Na O8 S2 -","- C128 H200 Cu4 Na4 O32 S8 -","4","1","","Johnson, Miles W.; Hannoun, Kareem I.; Tan, Yichen; Fu, Gregory C.; Peters, Jonas C.","A mechanistic investigation of the photoinduced, copper-mediated cross-coupling of an aryl thiol with an aryl halide.","Chemical science","2016","7","7","4091","4100","10.1039/C5SC04709A","","","0.71073","MoKα","","0.1503","0.0666","","","0.0928","0.1104","","","","","","1.036","","","","has coordinates","190061","2020-10-21","18:00:00",""
"1542547","7.547","0.0008","7.886","0.0007","8.992","0.0009","66.005","0.007","85.305","0.008","83.508","0.008","485.4","0.09","180","","180","","","","","","","","synthesis as described","5","P -1","-P 1","2","[MBqn2+](BF4)2 Methylbiquinoxen bis tetrafluoroborate","N,N'-dimethyl-3,3'-biquinoxalinium bis tetrafluoroborate","","- C18 H16 B2 F8 N4 -","- C18 H16 B2 F8 N4 -","- C18 H16 B2 F8 N4 -","1","0.5","","Leblanc, Nicolas; Sproules, Stephen; Fink, Karin; Sanguinet, Lionel; Alévêque, Olivier; Levillain, Eric; Rosa, Patrick; Powell, Annie K.","A fascinating multifaceted redox-active chelating ligand: introducing the N,N′-dimethyl-3,3′-biquinoxalinium “methylbiquinoxen” platform","Chem. Sci.","2016","7","6","3820","","10.1039/C5SC04904K","","","0.71073","MoKα","","0.0504","0.0437","","","0.1188","0.1251","","","","","","1.017","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542548","7.133","0.0009","20.036","0.0016","11.526","0.0013","90","","99.454","0.009","90","","1624.9","0.3","180","2","180","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","direduced monoprotonated Methylbiquinoxen cation tetrafluoroborate; [MBqn0-H+]BF4","4,4?-dimethyl-1?,4?-dihydro-[2,2?-biquinoxalin]-4-ium tetrafluoroborate","","- C18 H17 B F4 N4 -","- C18 H17 B F4 N4 -","- C72 H68 B4 F16 N16 -","4","1","","Leblanc, Nicolas; Sproules, Stephen; Fink, Karin; Sanguinet, Lionel; Alévêque, Olivier; Levillain, Eric; Rosa, Patrick; Powell, Annie K.","A fascinating multifaceted redox-active chelating ligand: introducing the N,N′-dimethyl-3,3′-biquinoxalinium “methylbiquinoxen” platform","Chem. Sci.","2016","7","6","3820","","10.1039/C5SC04904K","","","0.71073","MoKα","","0.0709","0.0416","","","0.1077","0.1263","","","","","","1.019","","","","has coordinates","185134","2020-10-21","18:00:00",""
"1542549","7.4683","0.0005","10.4739","0.0007","11.3249","0.0008","80.15","0.006","82.274","0.005","81.982","0.006","858.7","0.1","180","2","180","","","","","","","","synthesis as described","5","P -1","-P 1","2","[CdCl2(MBqn)]","dichloromethylbiquinoxencadmium (II)","","- C18 H16 Cd Cl2 N4 -","- C18 H16 Cd Cl2 N4 -","- C36 H32 Cd2 Cl4 N8 -","2","1","","Leblanc, Nicolas; Sproules, Stephen; Fink, Karin; Sanguinet, Lionel; Alévêque, Olivier; Levillain, Eric; Rosa, Patrick; Powell, Annie K.","A fascinating multifaceted redox-active chelating ligand: introducing the N,N′-dimethyl-3,3′-biquinoxalinium “methylbiquinoxen” platform","Chem. Sci.","2016","7","6","3820","","10.1039/C5SC04904K","","","0.71073","MoKα","","0.0329","0.0266","","","0.0648","0.0673","","","","","","1.065","","","","has coordinates","185134","2020-10-21","18:00:00",""
"1542550","12.5879","0.0006","20.8699","0.001","13.6448","0.0008","90","","93.531","0.004","90","","3577.8","0.3","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H44 Fe N6 O6 -","- C40 H44 Fe N6 O6 -","- C160 H176 Fe4 N24 O24 -","4","1","","Deliomeroglu, Murat K.; Lynch, Vincent M.; Sessler, Jonathan L.","Non-cyclic formylated dipyrromethanes as phosphate anion receptors","Chem. Sci.","2016","7","6","3843","","10.1039/C6SC00015K","","","0.71073","MoKα","","0.1007","0.0471","","","0.0897","0.1109","","","","","","1.013","","","","has coordinates","185135","2020-10-21","18:00:00",""
"1542551","10.1932","0.0019","12.318","0.002","19.654","0.004","72.773","0.004","77.793","0.004","81.49","0.004","2294.1","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H38 Cl6 N6 O6 -","- C44 H38 Cl6 N6 O6 -","- C88 H76 Cl12 N12 O12 -","2","1","","Deliomeroglu, Murat K.; Lynch, Vincent M.; Sessler, Jonathan L.","Non-cyclic formylated dipyrromethanes as phosphate anion receptors","Chem. Sci.","2016","7","6","3843","","10.1039/C6SC00015K","","","0.71073","MoKα","","0.145","0.0937","","","0.233","0.2589","","","","","","1.14","","","","has coordinates,has disorder","185135","2020-10-21","18:00:00",""
"1542552","19.5077","0.0003","15.3419","0.0003","22.1726","0.0003","90","","95.401","0.001","90","","6606.47","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62.5 H99 Cl N6 O11 P2 -","- C62 H98 N6 O11 P2 -","- C248 H392 N24 O44 P8 -","4","1","","Deliomeroglu, Murat K.; Lynch, Vincent M.; Sessler, Jonathan L.","Non-cyclic formylated dipyrromethanes as phosphate anion receptors","Chem. Sci.","2016","7","6","3843","","10.1039/C6SC00015K","","","1.54184","CuKα","","0.0777","0.0603","","","0.1574","0.171","","","","","","1.029","","","","has coordinates,has disorder","185135","2020-10-21","18:00:00",""
"1542553","9.9599","0.0004","14.6932","0.0006","16.4802","0.0005","81.05","0.003","75.273","0.003","88.017","0.003","2304.1","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46.5 H64.5 Cl1.5 N5 O8 P -","- C46.5 H64.5 Cl1.5 N5 O8 P -","- C93 H129 Cl3 N10 O16 P2 -","2","1","","Deliomeroglu, Murat K.; Lynch, Vincent M.; Sessler, Jonathan L.","Non-cyclic formylated dipyrromethanes as phosphate anion receptors","Chem. Sci.","2016","7","6","3843","","10.1039/C6SC00015K","","","1.54184","CuKα","","0.0641","0.05","","","0.1188","0.1237","","","","","","1.047","","","","has coordinates,has disorder","301779","2025-08-18","16:06:45",""
"1542554","16.0755","0.0007","18.9299","0.0007","24.4976","0.0006","93.415","0.002","96.103","0.003","111.261","0.004","6869.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C119 H151 Cl9 N14 O20 P2 -","- C119 H147 Cl9 N14 O20 P2 -","- C238 H294 Cl18 N28 O40 P4 -","2","1","","Deliomeroglu, Murat K.; Lynch, Vincent M.; Sessler, Jonathan L.","Non-cyclic formylated dipyrromethanes as phosphate anion receptors","Chem. Sci.","2016","7","6","3843","","10.1039/C6SC00015K","","","1.54184","CuKα","","0.1811","0.1255","","","0.3052","0.3446","","","","","","1.544","","","","has coordinates,has disorder","185135","2020-10-21","18:00:00",""
"1542555","35.7365","0.0013","15.061","0.0005","30.9345","0.0011","90","","104.141","0.007","90","","16145.3","1.1","93","2","93","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C69 H62.5 Cl6 I6 N12 Zn3 -","- C69 H62.5 Cl6 I6 N12 Zn3 -","- C552 H500 Cl48 I48 N96 Zn24 -","8","1","","Inokuma, Yasuhide; Ukegawa, Tomoya; Hoshino, Manabu; Fujita, Makoto","Structure determination of microbial metabolites by the crystalline sponge method","Chem. Sci.","2016","7","6","3910","","10.1039/C6SC00594B","","","0.71075","MoKα","","0.13","0.078","","","0.2382","0.2736","","","","","","1.065","","","","has coordinates,has disorder","185139","2020-10-21","18:00:00",""
"1542556","36.3783","0.0008","14.6755","0.0002","31.2278","0.0006","90","","103.184","0.002","90","","16232.2","0.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C132.77 H131.15 I12 N24 O15.14 Zn6 -","- C132.785 H131.15 I12 N24 O15.14 Zn6 -","- C531.14 H524.6 I48 N96 O60.56 Zn24 -","4","1","","Inokuma, Yasuhide; Ukegawa, Tomoya; Hoshino, Manabu; Fujita, Makoto","Structure determination of microbial metabolites by the crystalline sponge method","Chem. Sci.","2016","7","6","3910","","10.1039/C6SC00594B","","x-ray","1.54184","CuKα","","0.0562","0.0511","","","0.1352","0.1396","","","","","","1.039","","","","has coordinates,has disorder","185139","2020-10-21","18:00:00",""
"1542557","34.7707","0.0006","14.8406","0.0003","31.2152","0.0005","90","","102.601","0.002","90","","15719.6","0.5","93","2","93","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C134.29 H138.92 I12 N24 O8.41 Zn6 -","- C134.295 H138.93 I12 N24 O8.415 Zn6 -","- C537.18 H555.72 I48 N96 O33.66 Zn24 -","4","1","","Inokuma, Yasuhide; Ukegawa, Tomoya; Hoshino, Manabu; Fujita, Makoto","Structure determination of microbial metabolites by the crystalline sponge method","Chem. Sci.","2016","7","6","3910","","10.1039/C6SC00594B","","","1.54184","CuKα","","0.0935","0.0788","","","0.2091","0.2259","","","","","","1.005","","","","has coordinates,has disorder","185139","2020-10-21","18:00:00",""
"1542558","27.4702","0.0008","17.1432","0.0006","27.9778","0.0008","90","","90","","90","","13175.5","0.7","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C68 H74 N Ni O3 P3 S3 Si3 -","- C68 H74 N Ni O3 P3 S3 Si3 -","- C544 H592 N8 Ni8 O24 P24 S24 Si24 -","8","1","","Chiou, Tzung-Wen; Tseng, Yen-Ming; Lu, Tsai-Te; Weng, Tsu-Chien; Sokaras, Dimosthenes; Ho, Wei-Chieh; Kuo, Ting-Shen; Jang, Ling-Yun; Lee, Jyh-Fu; Liaw, Wen-Feng","[NiIII(OMe)]-mediated reductive activation of CO2affording a Ni(κ1-OCO) complex","Chem. Sci.","2016","7","6","3640","","10.1039/C5SC04652A","","","0.71073","MoKα","","0.0912","0.0552","","","0.1449","0.1725","","","","","","1.042","","","","has coordinates","185142","2020-10-21","18:00:00",""
"1542559","27.5733","0.0007","17.0409","0.0005","27.8585","0.0008","90","","90","","90","","13090","0.6","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C68 H74 N2 Ni O2 P3 S3 Si3 -","- C68 H74 N2 Ni O2 P3 S3 Si3 -","- C544 H592 N16 Ni8 O16 P24 S24 Si24 -","8","1","","Chiou, Tzung-Wen; Tseng, Yen-Ming; Lu, Tsai-Te; Weng, Tsu-Chien; Sokaras, Dimosthenes; Ho, Wei-Chieh; Kuo, Ting-Shen; Jang, Ling-Yun; Lee, Jyh-Fu; Liaw, Wen-Feng","[NiIII(OMe)]-mediated reductive activation of CO2affording a Ni(κ1-OCO) complex","Chem. Sci.","2016","7","6","3640","","10.1039/C5SC04652A","","","0.71073","MoKα","","0.0499","0.0382","","","0.106","0.1276","","","","","","1.171","","","","has coordinates","185142","2020-10-21","18:00:00",""
"1542560","14.316","0.0004","26.0756","0.0006","18.0992","0.0004","90","","97.069","0.002","90","","6705","0.3","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C67 H78 N3 Ni O P3 S3 Si3 -","- C67 H78 N3 Ni O P3 S3 Si3 -","- C268 H312 N12 Ni4 O4 P12 S12 Si12 -","4","1","","Chiou, Tzung-Wen; Tseng, Yen-Ming; Lu, Tsai-Te; Weng, Tsu-Chien; Sokaras, Dimosthenes; Ho, Wei-Chieh; Kuo, Ting-Shen; Jang, Ling-Yun; Lee, Jyh-Fu; Liaw, Wen-Feng","[NiIII(OMe)]-mediated reductive activation of CO2affording a Ni(κ1-OCO) complex","Chem. Sci.","2016","7","6","3640","","10.1039/C5SC04652A","","","0.71073","MoKα","","0.0547","0.0398","","","0.1124","0.1229","","","","","","0.923","","","","has coordinates","185142","2020-10-21","18:00:00",""
"1542568","29.6046","0.0008","11.8388","0.0004","17.1781","0.0004","90","","90","","90","","6020.6","0.3","153","2","153","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C38 H30 N4 S3 -","- C38 H30 N4 S3 -","- C304 H240 N32 S24 -","8","1","","Zhang, Jing; Gu, Peiyang; Long, Guankui; Ganguly, Rakesh; Li, Yongxin; Aratani, Naoki; Yamada, Hiroko; Zhang, Qichun","Switching charge-transfer characteristics from p-type to n-type through molecular “doping” (co-crystallization)","Chem. Sci.","2016","7","6","3851","","10.1039/C5SC04954G","","","0.71073","MoKα","","0.1147","0.0512","","","0.1337","0.1985","","","","","","1.072","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542569","10.6919","0.0002","11.6399","0.0002","14.4791","0.0003","90.178","0.006","104.4","0.007","95.311","0.007","1737.22","0.08","103","","103","","","","","","","","","4","P -1","-P 1","2","","","","- C88 H64 N12 S6 -","- C88 H64 N12 S6 -","- C88 H64 N12 S6 -","1","0.5","","Zhang, Jing; Gu, Peiyang; Long, Guankui; Ganguly, Rakesh; Li, Yongxin; Aratani, Naoki; Yamada, Hiroko; Zhang, Qichun","Switching charge-transfer characteristics from p-type to n-type through molecular “doping” (co-crystallization)","Chem. Sci.","2016","7","6","3851","","10.1039/C5SC04954G","","","0.71075","MoKα","","0.0544","0.0427","","","0.105","0.1104","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542571","6.4922","0.0013","8.38","0.0017","9.896","0.002","74.212","0.003","73.241","0.003","80.346","0.003","493.74","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","SMI-DOS-013-1","Epoxy thiolactone, 1","","- C8 H11 N O4 S -","- C8 H11 N O4 S -","- C16 H22 N2 O8 S2 -","2","1","","Mommer, Stefan; Truong, Khai-Nghi; Keul, Helmut; Möller, Martin","An epoxy thiolactone on stage: four component reactions, synthesis of poly(thioether urethane)s and the respective hydrogels","Polym. Chem.","2016","7","12","2291","","10.1039/C6PY00231E","","","0.71073","MoKα","","0.0397","0.0339","","","0.08","0.0832","","","","","","1.044","","","","has coordinates,has disorder","301779","2025-08-18","16:06:45",""
"1542572","5.82646","0.00009","9.44106","0.00013","15.616","0.0003","90","","100.11","0.0015","90","","845.67","0.02","99.9","0.4","99.9","0.4","","","","","","","","3","P 1 c 1","P -2yc","7","Methyl model compound","4-(4-methoxyphenyl)-6-methyl-3-phenyl-1H-isochromen-1-one","","- C23 H18 O3 -","- C23 H18 O3 -","- C46 H36 O6 -","2","1","","Han, Ting; Deng, Haiqin; Yu, Chris Y. Y.; Gui, Chen; Song, Zhegang; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Tang, Ben Zhong","Functional isocoumarin-containing polymers synthesized by rhodium-catalyzed oxidative polycoupling of aryl diacid and internal diyne","Polym. Chem.","2016","7","14","2501","","10.1039/C6PY00206D","","x-ray","1.5418","CuKα","","0.0222","0.0221","","","0.0557","0.0558","","","","","","1.001","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542582","11.0798","0.00008","21.9977","0.00013","11.88015","0.00009","90","","102.003","0.0007","90","","2832.25","0.03","99.9","0.3","99.9","0.3","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-({2-[1-(benzyl)pyrrolidine-2-carboxamide]-phenyl}phenylmethylene)-(S)-pentenylglycinato-N,N',N?,O}nickel(II)","","- C32 H33 N3 Ni O3 -","- C32 H33 N3 Ni O3 -","- C128 H132 N12 Ni4 O12 -","4","2","","Miles, Jennifer A.; Yeo, David J.; Rowell, Philip; Rodriguez-Marin, Silvia; Pask, Christopher M.; Warriner, Stuart L.; Edwards, Thomas A.; Wilson, Andrew J.","Hydrocarbon constrained peptides ‒ understanding preorganisation and binding affinity","Chem. Sci.","2016","7","6","3694","","10.1039/C5SC04048E","","","1.54184","CuKα","","0.0285","0.0274","","","0.0688","0.0696","","","","","","1.037","","","","has coordinates,has disorder","185140","2020-10-21","18:00:00",""
"1542583","7.7263","0.0014","11.203","0.002","11.9","0.002","94.504","0.01","108.019","0.01","93.687","0.01","972.2","0.3","110","2","110.15","","","","","","","","","6","P -1","-P 1","2","","","","- C16 H11 Fe3 N O7 S2 -","- C16 H11 Fe3 N O7 S2 -","- C32 H22 Fe6 N2 O14 S4 -","2","1","","Lunsford, Allen M.; Beto, Christopher C.; Ding, Shengda; Erdem, Özlen F.; Wang, Ning; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","Cyanide-bridged iron complexes as biomimetics of tri-iron arrangements in maturases of the H cluster of the di-iron hydrogenase","Chem. Sci.","2016","7","6","3710","","10.1039/C6SC00213G","","","0.71073","MoKα","","0.038","0.0317","","","0.0756","0.0788","","","","","","1.051","","","","has coordinates,has disorder","185144","2020-10-21","18:00:00",""
"1542584","11.3103","0.0015","12.9416","0.0018","15.479","0.002","105.449","0.005","100.216","0.005","110.921","0.004","1944.2","0.5","150.15","","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C40 H35 Fe3 N O5 P2 S2 -","- C40 H35 Fe3 N O5 P2 S2 -","- C80 H70 Fe6 N2 O10 P4 S4 -","2","1","","Lunsford, Allen M.; Beto, Christopher C.; Ding, Shengda; Erdem, Özlen F.; Wang, Ning; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","Cyanide-bridged iron complexes as biomimetics of tri-iron arrangements in maturases of the H cluster of the di-iron hydrogenase","Chem. Sci.","2016","7","6","3710","","10.1039/C6SC00213G","","","0.71073","MoKα","","0.0469","0.0366","","","0.0864","0.0946","","","","","","1.037","","","","has coordinates","185144","2020-10-21","18:00:00",""
"1542585","10.4593","0.0005","11.6085","0.0006","12.256","0.0006","76.988","0.002","85.341","0.002","81.75","0.002","1433.02","0.12","110.15","","110.15","","","","","","","","","8","P -1","-P 1","2","","","","- C20.2 H22.23 B F4 Fe3 N4.6 O6.72 S2 -","- C20.2 H22.234 B F4 Fe3 N4.6 O6.717 S2 -","- C40.4 H44.468 B2 F8 Fe6 N9.2 O13.434 S4 -","2","1","","Lunsford, Allen M.; Beto, Christopher C.; Ding, Shengda; Erdem, Özlen F.; Wang, Ning; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","Cyanide-bridged iron complexes as biomimetics of tri-iron arrangements in maturases of the H cluster of the di-iron hydrogenase","Chem. Sci.","2016","7","6","3710","","10.1039/C6SC00213G","","","0.71073","MoKα","","0.0658","0.052","","","0.1487","0.1629","","","","","","1.055","","","","has coordinates,has disorder","185144","2020-10-21","18:00:00",""
"1542586","13.352","0.005","13.623","0.005","24.074","0.008","92.828","0.005","94.41","0.005","99.584","0.005","4296","3","150.15","","150.15","","","","","","","","","9","P -1","-P 1","2","","","","- C80 H75 B F24 Fe3 N O4 P4 S2 -","- C80 H75 B F24 Fe3 N O4 P4 S2 -","- C160 H150 B2 F48 Fe6 N2 O8 P8 S4 -","2","1","","Lunsford, Allen M.; Beto, Christopher C.; Ding, Shengda; Erdem, Özlen F.; Wang, Ning; Bhuvanesh, Nattamai; Hall, Michael B.; Darensbourg, Marcetta Y.","Cyanide-bridged iron complexes as biomimetics of tri-iron arrangements in maturases of the H cluster of the di-iron hydrogenase","Chem. Sci.","2016","7","6","3710","","10.1039/C6SC00213G","","","0.71073","MoKα","","0.1091","0.079","","","0.2135","0.2317","","","","","","1.082","","","","has coordinates","185144","2020-10-21","18:00:00",""
"1542591","10.0013","0.0012","14.5831","0.001","24.366","0.004","75.428","0.016","87.017","0.019","71.26","0.02","3255.5","0.8","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","Quadruply Phenylene-fused Porphyrin Tape","","- C79.27 H80.86 N5.59 Zn -","- C79.282 H78.252 N5.594 Zn -","- C158.564 H156.504 N11.188 Zn2 -","2","1","","Fukui, Norihito; Lee, Seung-Kyu; Kato, Kenichi; Shimizu, Daiki; Tanaka, Takayuki; Lee, Sangsu; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Regioselective phenylene-fusion reactions of Ni(ii)-porphyrins controlled by an electron-withdrawing meso-substituent","Chem. Sci.","2016","7","7","4059","","10.1039/C5SC04748J","","","1.54187","CuKα","","0.0628","0.0531","","","0.1409","0.1531","","","","","","1.018","","","","has coordinates,has disorder","185114","2020-10-21","18:00:00",""
"1542592","11.0983","0.0014","34.992","0.005","32.965","0.004","90","","90","","90","","12802","3","93","2","93","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","doubly 10,12- and 18,20-phenylene-fused meso-nitoroporphyrin","","- C64.5 H68 Cl7.5 N5 Ni O2 -","- C64.5 H68 Cl7.5 N5 Ni O2 -","- C516 H544 Cl60 N40 Ni8 O16 -","8","1","","Fukui, Norihito; Lee, Seung-Kyu; Kato, Kenichi; Shimizu, Daiki; Tanaka, Takayuki; Lee, Sangsu; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Regioselective phenylene-fusion reactions of Ni(ii)-porphyrins controlled by an electron-withdrawing meso-substituent","Chem. Sci.","2016","7","7","4059","","10.1039/C5SC04748J","","","1.54187","CuKα","","0.1107","0.0921","","","0.2589","0.2889","","","","","","1.047","","","","has coordinates,has disorder","185114","2020-10-21","18:00:00",""
"1542593","14.734","0.006","20.554","0.008","20.788","0.009","90.073","0.008","103.209","0.015","109.518","0.005","5756","4","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","13,15-phenylene-fused meso-nitroporphyrin","","- C69 H77 N5 Ni O2 -","- C69 H77 N5 Ni O2 -","- C276 H308 N20 Ni4 O8 -","4","2","","Fukui, Norihito; Lee, Seung-Kyu; Kato, Kenichi; Shimizu, Daiki; Tanaka, Takayuki; Lee, Sangsu; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Regioselective phenylene-fusion reactions of Ni(ii)-porphyrins controlled by an electron-withdrawing meso-substituent","Chem. Sci.","2016","7","7","4059","","10.1039/C5SC04748J","","","1.54187","CuKα","","0.1832","0.1419","","","0.3453","0.3713","","","","","","1.097","","","","has coordinates","185114","2020-10-21","18:00:00",""
"1542594","12.3714","0.0016","28.233","0.003","41.36","0.006","90","","96.168","0.004","90","","14363","3","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","doubly 10,12- and 18,20-phenylene-fused meso-diphenylphosphinylporphyrin","","- C74 H77 N4 Ni O P -","- C74.6667 H80.8889 N3.55556 Ni0.888889 O2.22222 P0.888889 -","- C672 H728 N32 Ni8 O20 P8 -","9","2.25","","Fukui, Norihito; Lee, Seung-Kyu; Kato, Kenichi; Shimizu, Daiki; Tanaka, Takayuki; Lee, Sangsu; Yorimitsu, Hideki; Kim, Dongho; Osuka, Atsuhiro","Regioselective phenylene-fusion reactions of Ni(ii)-porphyrins controlled by an electron-withdrawing meso-substituent","Chem. Sci.","2016","7","7","4059","","10.1039/C5SC04748J","","","1.54187","CuKα","","0.1063","0.0739","","","0.1927","0.233","","","","","","1.049","","","","has coordinates,has disorder","185114","2020-10-21","18:00:00",""
"1542595","11.12","0.002","12.074","0.003","15.487","0.004","69.218","0.004","72.309","0.004","70.811","0.004","1794.3","0.7","130","","130","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H36 Br N O P2 Pd -","- C44 H36 Br N O P2 Pd -","- C88 H72 Br2 N2 O2 P4 Pd2 -","2","1","","Wu, Jiang; Liu, Yafei; Lu, Changhui; Shen, Qilong","Palladium-catalyzed difluoromethylthiolation of heteroaryl bromides, iodides, triflates and aryl iodides","Chem. Sci.","2016","7","6","3757","","10.1039/C6SC00082G","","","0.71073","MoKα","","0.0928","0.0544","","","0.1207","0.1383","","","","","","0.972","","","","has coordinates","185141","2020-10-21","18:00:00",""
"1542604","7.2023","0.0003","13.3209","0.0004","16.1663","0.0005","90","","93.426","0.002","90","","1548.24","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H23 O5 Rh -","- C14 H23 O5 Rh -","- C56 H92 O20 Rh4 -","4","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0376","0.0278","","","0.0463","0.0487","","","","","","1.038","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542605","28.1638","0.0009","28.1638","0.0009","8.1635","0.0003","90","","90","","120","","5607.8","0.3","100","2","100","2","","","","","","","","5","R -3","-R 3","148","","","","- C20 H24 Cl4 F6 Rh2 -","- C20 H24 Cl4 F6 Rh2 -","- C180 H216 Cl36 F54 Rh18 -","9","","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0544","0.0309","","","0.0491","0.0532","","","","","","0.611","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542606","8.2993","0.0002","8.9088","0.0002","9.3961","0.0002","102.335","0.0011","106.607","0.0011","94.5603","0.0011","643","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H38 Cl4 Rh2 -","- C24 H38 Cl4 Rh2 -","- C24 H38 Cl4 Rh2 -","1","0.5","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C‒H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0176","0.0163","","","0.0388","0.0393","","","","","","1.054","","","","has coordinates","185145","2020-10-21","18:00:00",""
"1542607","7.7536","0.0003","8.2731","0.0003","14.2858","0.0005","73.2168","0.0012","78.223","0.0015","85.339","0.0008","858.63","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H5 I O2 -","- C10 H5 I O2 -","- C40 H20 I4 O8 -","4","2","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C–H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0164","0.0159","","","0.0403","0.0407","","","","","","1.163","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542608","8.1168","0.0003","7.9198","0.0002","15.1553","0.0005","90","","93.0671","0.0015","90","","972.84","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 I O3 -","- C11 H7 I O3 -","- C44 H28 I4 O12 -","4","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C–H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0145","0.0135","","","0.0331","0.0335","","","","","","1.049","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542609","17.2465","0.0004","16.7627","0.0003","7.5137","0.0002","90","","91.9216","0.0012","90","","2170.97","0.09","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 I O3 -","- C12 H9 I O3 -","- C96 H72 I8 O24 -","8","2","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C–H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.025","0.0202","","","0.0472","0.0492","","","","","","1.029","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542610","7.7794","0.0003","9.0897","0.0003","13.9834","0.0005","90","","99.5625","0.0014","90","","975.06","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 I N O4 -","- C10 H4 I N O4 -","- C40 H16 I4 N4 O16 -","4","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C–H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0153","0.0145","","","0.0341","0.0344","","","","","","1.109","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542611","5.0752","0.0001","6.1752","0.0002","30.9217","0.0011","90","","90","","90","","969.1","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H4 Br I O2 -","- C10 H4 Br I O2 -","- C40 H16 Br4 I4 O8 -","4","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C–H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0313","0.0278","","","0.0486","0.0493","","","","","","1.127","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542612","7.1805","0.0002","8.2069","0.0003","10.2503","0.0003","67.006","0.002","88.761","0.002","69.374","0.002","515.67","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H3 Br2 I O2 -","- C10 H3 Br2 I O2 -","- C20 H6 Br4 I2 O4 -","2","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C–H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0277","0.0212","","","0.0489","0.051","","","","","","1.045","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542613","14.1706","0.0008","4.1298","0.0002","15.9165","0.001","90","","106.661","0.004","90","","892.36","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 I O2 -","- C10 H5 I O2 -","- C40 H20 I4 O8 -","4","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C–H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0617","0.0414","","","0.0932","0.1009","","","","","","1.004","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542614","13.9652","0.0006","4.4527","0.0002","16.4351","0.0006","90","","102.327","0.003","90","","998.42","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H4 I2 O2 -","- C10 H4 I2 O2 -","- C40 H16 I8 O8 -","4","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C–H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0289","0.022","","","0.0408","0.0426","","","","","","1.029","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542615","7.7808","0.0005","8.1027","0.0005","12.8379","0.0009","90","","94.413","0.005","90","","806.97","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 Br O2 -","- C10 H5 Br O2 -","- C40 H20 Br4 O8 -","4","1","","Jardim, Guilherme A. M.; da Silva Júnior, Eufrânio N.; Bower, John F.","Overcoming naphthoquinone deactivation: rhodium-catalyzed C-5 selective C–H iodination as a gateway to functionalized derivatives","Chem. Sci.","2016","7","6","3780","","10.1039/C6SC00302H","","","0.71073","MoKα","","0.0327","0.0248","","","0.0569","0.06","","","","","","1.04","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542616","9.65924","0.00008","9.12014","0.00009","50.6162","0.0005","90","","91.6555","0.0009","90","","4457.1","0.07","100","0.5","100","0.5","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C57 H38 Cl3 -","- C57 H38 Cl3 -","- C228 H152 Cl12 -","4","1","","Zhang, Yun; Zhao, Engui; Deng, Haiqin; Lam, Jacky W. Y.; Tang, Ben Zhong","Development of a transition metal-free polymerization route to functional conjugated polydiynes from a haloalkyne-based organic reaction","Polym. Chem.","2016","7","14","2492","","10.1039/C6PY00050A","","x-ray","1.54184","CuKα","","0.0973","0.0895","","","0.2148","0.2208","","","","","","1.002","","","","has coordinates,has disorder","181810","2020-10-21","18:00:00",""
"1542730","22.283","0.003","10.1485","0.0015","6.7864","0.0011","90","","90","","90","","1534.7","0.4","293","2","293","2","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- C22 H18 -","- C22 H18 -","- C88 H72 -","4","1","","Chen, Gen-Qiang; Fang, Wei; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Divergent reaction pathways in gold-catalyzed cycloisomerization of 1,5-enynes containing a cyclopropane ring: dramatic ortho substituent and temperature effects","Chem. Sci.","2016","7","7","4318","","10.1039/C6SC00058D","","","0.71073","MoKα","","0.049","0.0455","","","0.1115","0.1144","","","","","","1.077","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542731","7.4014","0.0012","11.2513","0.0018","19.726","0.003","90","","91.021","0.004","90","","1642.4","0.4","293","2","293","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","1","","Chen, Gen-Qiang; Fang, Wei; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Divergent reaction pathways in gold-catalyzed cycloisomerization of 1,5-enynes containing a cyclopropane ring: dramatic ortho substituent and temperature effects","Chem. Sci.","2016","7","7","4318","","10.1039/C6SC00058D","","","0.71073","MoKα","","0.1389","0.0744","","","0.1758","0.2087","","","","","","1.052","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542732","9.9373","0.0012","5.8477","0.0007","23.768","0.003","90","","98.064","0.002","90","","1367.5","0.3","130","","130","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O -","- C19 H18 O -","- C76 H72 O4 -","4","1","","Chen, Gen-Qiang; Fang, Wei; Wei, Yin; Tang, Xiang-Ying; Shi, Min","Divergent reaction pathways in gold-catalyzed cycloisomerization of 1,5-enynes containing a cyclopropane ring: dramatic ortho substituent and temperature effects","Chem. Sci.","2016","7","7","4318","","10.1039/C6SC00058D","","","0.71073","MoKα","","0.0618","0.0498","","","0.1357","0.1454","","","","","","1.037","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542733","7.9475","0.0016","10.528","0.002","11.586","0.003","93.439","0.011","108.109","0.01","96.394","0.011","911.1","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 Cl O5 -","- C19 H19 Cl O5 -","- C38 H38 Cl2 O10 -","2","1","","Che, Chao; Huang, Qianwen; Zheng, Hanliang; Zhu, Gangguo","Copper-catalyzed cascade annulation of unsaturated α-bromocarbonyls with enynals: a facile access to ketones from aldehydes","Chem. Sci.","2016","7","7","4134","","10.1039/C5SC04980F","","","0.71073","MoKα","","0.0832","0.0619","","","0.1631","0.1874","","","","","","1.042","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542734","8.172","0.0019","9.085","0.002","13.302","0.003","85.887","0.006","79.292","0.005","63.379","0.004","867.4","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C40 H44 O10 -","2","1","","Che, Chao; Huang, Qianwen; Zheng, Hanliang; Zhu, Gangguo","Copper-catalyzed cascade annulation of unsaturated α-bromocarbonyls with enynals: a facile access to ketones from aldehydes","Chem. Sci.","2016","7","7","4134","","10.1039/C5SC04980F","","","0.71073","MoKα","","0.0959","0.0853","","","0.248","0.2574","","","","","","1.492","","","","has coordinates,has disorder","301779","2025-08-18","16:06:45",""
"1542735","9.9793","0.0012","11.954","0.0015","15.515","0.002","90.309","0.007","90.735","0.007","101.28","0.007","1814.9","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 Cl O6 -","- C19 H19 Cl O6 -","- C76 H76 Cl4 O24 -","4","2","","Che, Chao; Huang, Qianwen; Zheng, Hanliang; Zhu, Gangguo","Copper-catalyzed cascade annulation of unsaturated α-bromocarbonyls with enynals: a facile access to ketones from aldehydes","Chem. Sci.","2016","7","7","4134","","10.1039/C5SC04980F","","","0.71073","MoKα","","0.1273","0.072","","","0.1765","0.2177","","","","","","1.017","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542737","28.1106","0.0007","5.872","0.0002","21.0927","0.0006","90","","130.543","0.001","90","","2645.79","0.14","133","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 N O5 -","- C15 H15 N O5 -","- C120 H120 N8 O40 -","8","1","","Wendler, Felix; Rudolph, Tobias; Görls, Helmar; Jasinski, Nils; Trouillet, Vanessa; Barner-Kowollik, Christopher; Schacher, Felix H.","Maleimide-functionalized poly(2-ethyl-2-oxazoline): synthesis and reactivity","Polym. Chem.","2016","7","13","2419","","10.1039/C6PY00033A","","","0.71073","MoKα","","0.0448","0.0379","","","0.0925","0.0968","","","","","","1.057","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542742","11.0077","0.0006","9.7685","0.0006","14.9709","0.0007","90","","103.216","0.003","90","","1567.17","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H40 O7 S -","- C33 H40 O7 S -","- C66 H80 O14 S2 -","2","1","","Vibhute, Amol M.; Dhaka, Arun; Athiyarath, Vignesh; Sureshan, Kana M.","A versatile glycosylation strategy via Au(iii) catalyzed activation of thioglycoside donors","Chem. Sci.","2016","7","7","4259","","10.1039/C6SC00633G","","","0.71073","MoKα","","0.1106","0.0497","","","0.1087","0.136","","","","","","0.895","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542746","27.1499","0.0001","27.1499","0.0001","27.1499","0.0001","90","","90","","90","","20012.7","0.13","293","2","293","2","","","","","","","","7","P 21 3","P 2ac 2ab 3","198","","","","- C48 H191 Co5 N40 O126 Sb9 W24 -","- C48 H93 Co5 N39.98 O120.01 Sb9 W24 -","- C192 H372 Co20 N159.92 O480.04 Sb36 W96 -","4","0.333333","","Zhang, Zhi-Ming; Duan, Xiaopin; Yao, Shuang; Wang, Zhishu; Lin, Zekai; Li, Yang-Guang; Long, La-Sheng; Wang, En-Bo; Lin, Wenbin","Cation-mediated optical resolution and anticancer activity of chiral polyoxometalates built from entirely achiral building blocks","Chem. Sci.","2016","7","7","4220","","10.1039/C5SC04408A","","","0.71073","MoKα","","0.0839","0.0615","","","0.1132","0.124","","","","","","1.053","","","","has coordinates","185122","2020-10-21","18:00:00",""
"1542747","21.9241","0.0013","26.104","0.0015","42.1665","0.0019","90","","119.618","0.002","90","","20979","2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C60 H235 Cl Co4 N49 O133 Sb9 W24 -","- C60 H106 Cl Co4 N49 O118 Sb9 W24 -","- C240 H424 Cl4 Co16 N196 O472 Sb36 W96 -","4","1","","Zhang, Zhi-Ming; Duan, Xiaopin; Yao, Shuang; Wang, Zhishu; Lin, Zekai; Li, Yang-Guang; Long, La-Sheng; Wang, En-Bo; Lin, Wenbin","Cation-mediated optical resolution and anticancer activity of chiral polyoxometalates built from entirely achiral building blocks","Chem. Sci.","2016","7","7","4220","","10.1039/C5SC04408A","","","0.41328","","","0.0668","0.0454","","","0.1337","0.1562","","","","","","0.97","","","","has coordinates,has disorder","185122","2020-10-21","18:00:00",""
"1542748","16.853","0.003","17.211","0.003","18.087","0.004","99.16","0.03","91.7","0.03","96.78","0.03","5136.9","1.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H47 N10 O10.5 S2 -","- C48 H42 N10 O8 S2 -","- C192 H168 N40 O32 S8 -","4","2","","Shang, Jia; Rambo, Brett M.; Hao, Xiang; Xiang, Jun-Feng; Gong, Han-Yuan; Sessler, Jonathan L.","Post-synthetic modification of a macrocyclic receptor via regioselective imidazolium ring-opening","Chem. Sci.","2016","7","7","4148","","10.1039/C5SC04860E","","","0.71073","MoKα","","0.2232","0.1539","","","0.3146","0.3478","","","","","","0.997","","","","has coordinates","185127","2020-10-21","18:00:00",""
"1542749","13.49","0.003","18.126","0.004","20.197","0.004","90","","101.26","0.03","90","","4843.5","1.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H52 N10 O13 S2 -","- C48 H42 N10 O8 S2 -","- C192 H168 N40 O32 S8 -","4","1","","Shang, Jia; Rambo, Brett M.; Hao, Xiang; Xiang, Jun-Feng; Gong, Han-Yuan; Sessler, Jonathan L.","Post-synthetic modification of a macrocyclic receptor via regioselective imidazolium ring-opening","Chem. Sci.","2016","7","7","4148","","10.1039/C5SC04860E","","","0.71073","MoKα","","0.148","0.1162","","","0.22","0.2401","","","","","","1.005","","","","has coordinates","185127","2020-10-21","18:00:00",""
"1542750","10.032","0.002","10.288","0.002","15.459","0.003","80.45","0.03","80.06","0.03","80.81","0.03","1535.6","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H68 F12 N10 O10 P2 -","- C54 H68 F12 N10 O10 P2 -","- C54 H68 F12 N10 O10 P2 -","1","0.5","","Shang, Jia; Rambo, Brett M.; Hao, Xiang; Xiang, Jun-Feng; Gong, Han-Yuan; Sessler, Jonathan L.","Post-synthetic modification of a macrocyclic receptor via regioselective imidazolium ring-opening","Chem. Sci.","2016","7","7","4148","","10.1039/C5SC04860E","","","0.71073","MoKα","","0.0846","0.0758","","","0.1585","0.1643","","","","","","1.011","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542751","11.353","0.002","20.065","0.004","19.117","0.004","90","","98.58","0.03","90","","4306.1","1.5","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H39 F12 N11 O2 P2 -","- C40 H39 F12 N11 O2 P2 -","- C160 H156 F48 N44 O8 P8 -","4","1","","Shang, Jia; Rambo, Brett M.; Hao, Xiang; Xiang, Jun-Feng; Gong, Han-Yuan; Sessler, Jonathan L.","Post-synthetic modification of a macrocyclic receptor via regioselective imidazolium ring-opening","Chem. Sci.","2016","7","7","4148","","10.1039/C5SC04860E","","","0.71073","MoKα","","0.0985","0.0804","","","0.1687","0.1791","","","","","","1.02","","","","has coordinates,has disorder","301779","2025-08-18","16:06:45",""
"1542752","28.552","0.006","13.685","0.003","22.641","0.005","90","","103.63","0.03","90","","8597","3","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H41 F12 N11 O3 P2 -","- C40 H41 F12 N11 O3 P2 -","- C320 H328 F96 N88 O24 P16 -","8","1","","Shang, Jia; Rambo, Brett M.; Hao, Xiang; Xiang, Jun-Feng; Gong, Han-Yuan; Sessler, Jonathan L.","Post-synthetic modification of a macrocyclic receptor via regioselective imidazolium ring-opening","Chem. Sci.","2016","7","7","4148","","10.1039/C5SC04860E","","","0.71073","MoKα","","0.099","0.0786","","","0.1624","0.1758","","","","","","1.016","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542758","5.98282","0.00012","11.5033","0.0003","22.3942","0.0004","83.2783","0.0017","89.5639","0.0015","85.3431","0.0017","1525.57","0.06","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","(E)-3-Benzyl-5-benzylideneoxazolidin-2-one","","- C17.5 H16 Cl N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","2","","García-Domínguez, Patricia; Fehr, Lorenz; Rusconi, Giulia; Nevado, Cristina","Palladium-catalyzed incorporation of atmospheric CO2: efficient synthesis of functionalized oxazolidinones","Chem. Sci.","2016","7","6","3914","","10.1039/C6SC00419A","","","1.54184","CuKα","","0.0455","0.0433","","","0.1164","0.1183","","","","","","1.06","","","","has coordinates","185146","2020-10-21","18:00:00",""
"1542759","7.498","0.0002","5.69208","0.00016","19.4188","0.0005","90","","90.668","0.003","90","","828.72","0.04","160","2","160","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-5-benzylideneoxazolidin-2-one","","- C10 H9 N O2 -","- C10 H9 N O2 -","- C40 H36 N4 O8 -","4","1","","García-Domínguez, Patricia; Fehr, Lorenz; Rusconi, Giulia; Nevado, Cristina","Palladium-catalyzed incorporation of atmospheric CO2: efficient synthesis of functionalized oxazolidinones","Chem. Sci.","2016","7","6","3914","","10.1039/C6SC00419A","","","0.71073","MoKα","","0.0435","0.0344","","","0.077","0.083","","","","","","1.05","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542760","12.43088","0.00018","15.8294","0.0002","18.0723","0.0003","92.4918","0.0012","101.882","0.0012","100.546","0.0012","3408.97","0.09","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","Methyl (E)-4-[1-(3-benzyl-2-oxooxazolidin-5-ylidene)ethyl]benzoate","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C160 H152 N8 O32 -","8","4","","García-Domínguez, Patricia; Fehr, Lorenz; Rusconi, Giulia; Nevado, Cristina","Palladium-catalyzed incorporation of atmospheric CO2: efficient synthesis of functionalized oxazolidinones","Chem. Sci.","2016","7","6","3914","","10.1039/C6SC00419A","","","1.54184","CuKα","","0.0407","0.0365","","","0.0954","0.0993","","","","","","1.025","","","","has coordinates","301779","2025-08-18","16:06:45",""
"1542766","17.501","0.0019","5.6716","0.0006","12.6807","0.0014","90","","104.641","0.003","90","","1217.8","0.2","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O S -","- C14 H15 N O S -","- C56 H60 N4 O4 S4 -","4","1","","Gu, Zheng-Yang; Cao, Jia-Jia; Wang, Shun-Yi; Ji, Shun-Jun","The involvement of the trisulfur radical anion in electron-catalyzed sulfur insertion reactions: facile synthesis of benzothiazine derivatives under transition metal-free conditions","Chem. Sci.","2016","7","7","4067","","10.1039/C6SC00240D","","","0.71073","Mo","","0.0618","0.0467","","","0.1396","0.1504","","","","","","1.065","","","","has coordinates","185119","2020-10-21","18:00:00",""
"1542892","10.3027","0.0004","14.2644","0.0006","18.1624","0.0007","90","","90","","90","","2669.18","0.18","125","2","125","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","[Fe(5-Br-salEen)2]ClO4","","- C22 H28 Br2 Cl Fe N4 O6 -","- C22 H28 Br2 Cl Fe N4 O6 -","- C88 H112 Br8 Cl4 Fe4 N16 O24 -","4","0.5","","Vicente, Ana I.; Joseph, Abhinav; Ferreira, Liliana P.; de Deus Carvalho, Maria; Rodrigues, Vítor H. N.; Duttine, Mathieu; Diogo, Hermínio P.; Minas da Piedade, Manuel E.; Calhorda, Maria José; Martinho, Paulo N.","Dynamic spin interchange in a tridentate Fe(iii) Schiff-base compound","Chem. Sci.","2016","7","7","4251","","10.1039/C5SC04577K","","","0.71073","MoKα","","0.0309","0.0231","","","0.0575","0.061","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542893","11.931","0.003","12.17","0.003","19.166","0.005","90","","90","","90","","2782.9","1.2","297","2","297","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C22 H28 Br2 Cl Fe N4 O6 -","- C22 H28 Br2 Cl Fe N4 O6 -","- C88 H112 Br8 Cl4 Fe4 N16 O24 -","4","0.5","","Vicente, Ana I.; Joseph, Abhinav; Ferreira, Liliana P.; de Deus Carvalho, Maria; Rodrigues, Vítor H. N.; Duttine, Mathieu; Diogo, Hermínio P.; Minas da Piedade, Manuel E.; Calhorda, Maria José; Martinho, Paulo N.","Dynamic spin interchange in a tridentate Fe(iii) Schiff-base compound","Chem. Sci.","2016","7","7","4251","","10.1039/C5SC04577K","","","0.71073","MoKα","","0.1583","0.1001","","","0.2984","0.3515","","","","","","1.098","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542894","15.8239","0.0008","19.3822","0.001","7.8312","0.0004","90","","90","","90","","2401.8","0.2","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","YR1","","","- C17 H10.5 N P0.5 -","- C17 H10.5 N P0.5 -","- C136 H84 N8 P4 -","8","1","","Ren, Yi; Sezen, Melda; Guo, Fang; Jäkle, Frieder; Loo, Yueh-Lin","[d]-Carbon‒carbon double bond engineering in diazaphosphepines: a pathway to modulate the chemical and electronic structures of heteropines","Chem. Sci.","2016","7","7","4211","","10.1039/C6SC00519E","","","0.71073","","","0.0656","0.0495","","","0.1197","0.1312","","","","","","0.912","","","","has coordinates,has disorder","185117","2020-10-21","18:00:00",""
"1542895","11.925","0.005","12.375","0.006","18.662","0.009","87.764","0.014","76.46","0.009","83.562","0.01","2660","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","YR5","","","- C34.5 H21.5 Cl1.5 N2 O P -","- C34.5 H21.5 Cl1.5 N2 O P -","- C138 H86 Cl6 N8 O4 P4 -","4","2","","Ren, Yi; Sezen, Melda; Guo, Fang; Jäkle, Frieder; Loo, Yueh-Lin","[d]-Carbon‒carbon double bond engineering in diazaphosphepines: a pathway to modulate the chemical and electronic structures of heteropines","Chem. Sci.","2016","7","7","4211","","10.1039/C6SC00519E","","","0.71073","MoKα","","0.0603","0.0431","","","0.1143","0.1286","","","","","","1.036","","","","has coordinates,has disorder","185117","2020-10-21","18:00:00",""
"1542896","17.008","0.008","32.243","0.012","7.688","0.003","90","","90","","90","","4216","3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","YR4","","","- C28 H17 N4 P S -","- C28 H17 N4 P S -","- C224 H136 N32 P8 S8 -","8","1","","Ren, Yi; Sezen, Melda; Guo, Fang; Jäkle, Frieder; Loo, Yueh-Lin","[d]-Carbon–carbon double bond engineering in diazaphosphepines: a pathway to modulate the chemical and electronic structures of heteropines","Chem. Sci.","2016","7","7","4211","","10.1039/C6SC00519E","","","0.71073","","","0.0438","0.0371","","","0.0975","0.1021","","","","","","1.06","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542897","8.5379","0.0004","12.3661","0.0006","20.2417","0.001","90","","99.918","0.001","90","","2105.19","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","YR3","","","- C28 H19 N2 P -","- C28 H19 N2 P -","- C112 H76 N8 P4 -","4","1","","Ren, Yi; Sezen, Melda; Guo, Fang; Jäkle, Frieder; Loo, Yueh-Lin","[d]-Carbon–carbon double bond engineering in diazaphosphepines: a pathway to modulate the chemical and electronic structures of heteropines","Chem. Sci.","2016","7","7","4211","","10.1039/C6SC00519E","","","1.54178","CuKα","","0.0358","0.0342","","","0.0942","0.1","","","","","","1.078","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542898","10.2381","0.0006","13.0126","0.0008","17.4162","0.0011","89.311","0.002","88.175","0.002","67.825","0.001","2147.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","YR6","","","- C27 H18 N3 O3 P -","- C27 H18 N3 O3 P -","- C108 H72 N12 O12 P4 -","4","2","","Ren, Yi; Sezen, Melda; Guo, Fang; Jäkle, Frieder; Loo, Yueh-Lin","[d]-Carbon–carbon double bond engineering in diazaphosphepines: a pathway to modulate the chemical and electronic structures of heteropines","Chem. Sci.","2016","7","7","4211","","10.1039/C6SC00519E","","","0.71073","MoKα","","0.043","0.0359","","","0.0979","0.1036","","","","","","1.043","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542904","8.0327","0.0002","9.3726","0.0002","16.1657","0.0003","77.401","0.0013","85.464","0.0014","69.356","0.0014","1111.49","0.04","93","2","93","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H37 N O6 -","- C24 H37 N O6 -","- C48 H74 N2 O12 -","2","1","","Hagiwara, Koichi; Tabuchi, Toshiki; Urabe, Daisuke; Inoue, Masayuki","Expeditious synthesis of the fused hexacycle of puberuline C via a radical-based cyclization/translocation/cyclization process","Chem. Sci.","2016","7","7","4372","","10.1039/C6SC00671J","","","1.54178","","","0.0539","0.0452","","","0.1257","0.131","","","","","","1.278","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1542912","23.023","0.004","23.023","0.004","16.459","0.003","90","","90","","120","","7555","2","100","2","100","2","","","","","","","","7","P -3","-P 3","147","","","","- C111 H81 Br2 F18 N15 O22 Zn5 -","- C111 H81 Br2 F18 N15 O22 Zn5 -","- C222 H162 Br4 F36 N30 O44 Zn10 -","2","0.333333","","Bilbeisi, Rana A.; Prakasam, Thirumurugan; Lusi, Matteo; El Khoury, Roberto; Platas-Iglesias, Carlos; Charbonnière, Loïc J.; Olsen, John-Carl; Elhabiri, Mourad; Trabolsi, Ali","[C‒H⋯anion] interactions mediate the templation and anion binding properties of topologically non-trivial metal‒organic structures in aqueous solutions","Chem. Sci.","2016","7","4","2524","","10.1039/C5SC04246A","","","1.54178","CuKα","","0.1205","0.0933","","","0.2711","0.2957","","","","","","1.067","","","","has coordinates","178854","2020-10-21","18:00:00",""
"1542927","18.6106","0.0006","9.3237","0.0003","20.2857","0.0006","90","","98.941","0.001","90","","3477.2","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H56 N4 O2 -","- C38 H56 N4 O2 -","- C152 H224 N16 O8 -","4","1","","Wezenberg, Sander J.; Croisetu, Christelle M.; Stuart, Marc C. A.; Feringa, Ben L.","Reversible gel–sol photoswitching with an overcrowded alkene-based bis-urea supergelator","Chem. Sci.","2016","7","7","4341","","10.1039/C6SC00659K","","","0.71073","MoKα","","0.0755","0.0548","","","0.1405","0.1566","","","","","","1.035","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542928","15.7715","0.0013","12.9851","0.0011","32.521","0.003","90","","97.852","0.005","90","","6597.7","1","143","1","143","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H76 Ce Li2 O11 -","- C80 H76 Ce Li2 O11 -","- C320 H304 Ce4 Li8 O44 -","4","1","","Robinson, Jerome R.; Qiao, Yusen; Gu, Jun; Carroll, Patrick J.; Walsh, Patrick J.; Schelter, Eric J.","The role of dynamic ligand exchange in the oxidation chemistry of cerium(iii)","Chem. Sci.","2016","7","7","4537","","10.1039/C5SC04897D","","","0.71073","MoKα","","0.0475","0.0366","","","0.0912","0.1","","","","","","1.086","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542929","15.6917","0.0012","16.7884","0.0006","18.8233","0.0007","111.706","0.002","103.016","0.002","97.558","0.003","4360.6","0.4","143","1","143","1","","","","","","","","5","P -1","-P 1","2","","","","- C97 H112 Ce Li3 O14 -","- C97 H112 Ce Li3 O14 -","- C194 H224 Ce2 Li6 O28 -","2","1","","Robinson, Jerome R.; Qiao, Yusen; Gu, Jun; Carroll, Patrick J.; Walsh, Patrick J.; Schelter, Eric J.","The role of dynamic ligand exchange in the oxidation chemistry of cerium(iii)","Chem. Sci.","2016","7","7","4537","","10.1039/C5SC04897D","","","0.71073","MoKα","","0.0463","0.0377","","","0.099","0.1074","","","","","","1.046","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1542938","11.191","0.006","14.136","0.008","7.975","0.005","90","","106.894","0.007","90","","1207.2","1.2","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C11 H6 N O5 Zn -","- C11 H6 N O5 Zn -","- C44 H24 N4 O20 Zn4 -","4","0.5","","Yang, Xiaogang; Yan, Dongpeng","Long-afterglow metal‒organic frameworks: reversible guest-induced phosphorescence tunability","Chem. Sci.","2016","7","7","4519","","10.1039/C6SC00563B","","","0.71073","MoKα","","0.0532","0.052","","","0.1497","0.1501","","","","","","1.236","","","","has coordinates","185116","2020-10-21","18:00:00",""
"1542939","9.9475","0.0007","13.7704","0.001","14.6585","0.001","98.995","0.0019","100.851","0.0018","97.3666","0.0018","1921.9","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H60 N P2 Pd -","- C40 H60 N P2 Pd -","- C80 H120 N2 P4 Pd2 -","2","1","","Cui, Peng; Hoffbauer, Melissa R.; Vyushkova, Mariya; Iluc, Vlad M.","Heterobimetallic Pd‒K carbene complexes via one-electron reductions of palladium radical carbenes","Chem. Sci.","2016","7","7","4444","","10.1039/C6SC00948D","","","0.71073","MoKα","","0.0302","0.0253","","","0.0606","0.0624","","","","","","1.039","","","","has coordinates","185126","2020-10-21","18:00:00",""
"1542940","20.2994","0.0014","17.5268","0.0014","15.9561","0.0016","90","","123.775","0.003","90","","4718.8","0.7","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H62 N P2 Pd -","- C45 H62 N P2 Pd -","- C180 H248 N4 P8 Pd4 -","4","0.5","","Cui, Peng; Hoffbauer, Melissa R.; Vyushkova, Mariya; Iluc, Vlad M.","Heterobimetallic Pd‒K carbene complexes via one-electron reductions of palladium radical carbenes","Chem. Sci.","2016","7","7","4444","","10.1039/C6SC00948D","","","0.71073","MoKα","","0.03","0.0246","","","0.0587","0.0604","","","","","","1.059","","","","has coordinates","185126","2020-10-21","18:00:00",""
"1542941","26.989","0.003","12.0603","0.001","23.568","0.002","90","","96.879","0.004","90","","7616.1","1.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H59 K P2 Pd -","- C40 H59 K P2 Pd -","- C320 H472 K8 P16 Pd8 -","8","1","","Cui, Peng; Hoffbauer, Melissa R.; Vyushkova, Mariya; Iluc, Vlad M.","Heterobimetallic Pd‒K carbene complexes via one-electron reductions of palladium radical carbenes","Chem. Sci.","2016","7","7","4444","","10.1039/C6SC00948D","","","0.71073","MoKα","","0.0349","0.0267","","","0.0661","0.0692","","","","","","1.066","","","","has coordinates","185126","2020-10-21","18:00:00",""
"1542942","10.2409","0.0009","18.169","0.0015","25.743","0.002","90","","90.553","0.003","90","","4789.7","0.7","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H72 K N O P2 Pd -","- C49 H72 K N O P2 Pd -","- C196 H288 K4 N4 O4 P8 Pd4 -","4","1","","Cui, Peng; Hoffbauer, Melissa R.; Vyushkova, Mariya; Iluc, Vlad M.","Heterobimetallic Pd‒K carbene complexes via one-electron reductions of palladium radical carbenes","Chem. Sci.","2016","7","7","4444","","10.1039/C6SC00948D","","","0.71073","MoKα","","0.0318","0.0252","","","0.0563","0.0582","","","","","","1.049","","","","has coordinates,has disorder","185126","2020-10-21","18:00:00",""
"1542957","10.3771","0.0007","13.7178","0.0009","15.7246","0.001","90","","90","","90","","2238.4","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O2 S -","- C26 H24 N2 O2 S -","- C104 H96 N8 O8 S4 -","4","1","","Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li","Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding","Chem. Sci.","2016","7","7","4453","","10.1039/C6SC00176A","","","0.71073","MoKα","","0.039","0.0369","","","0.0955","0.097","","","","","","1.051","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542958","10.6807","0.001","8.6932","0.0008","12.7653","0.0012","90","","101.848","0.002","90","","1160","0.19","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 N2 O2 S -","- C26 H24 N2 O2 S -","- C52 H48 N4 O4 S2 -","2","1","","Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li","Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding","Chem. Sci.","2016","7","7","4453","","10.1039/C6SC00176A","","","0.71073","MoKα","","0.0475","0.0399","","","0.1007","0.1064","","","","","","1.046","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542959","6.763","0.0019","11.797","0.003","28.909","0.008","90","","90","","90","","2306.4","1.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N2 O2.5 S -","- C26 H25 N2 O2.5 S -","- C104 H100 N8 O10 S4 -","4","1","","Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li","Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding","Chem. Sci.","2016","7","7","4453","","10.1039/C6SC00176A","","","0.71073","MoKα","","0.0584","0.0446","","","0.1","0.1057","","","","","","0.959","","","","has coordinates","185123","2020-10-21","18:00:00",""
"1542960","8.4047","0.0007","8.8853","0.0008","24","0.002","90","","90","","90","","1792.3","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O2 S -","- C20 H20 N2 O2 S -","- C80 H80 N8 O8 S4 -","4","1","","Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li","Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding","Chem. Sci.","2016","7","7","4453","","10.1039/C6SC00176A","","","0.71073","MoKα","","0.0463","0.0373","","","0.0967","0.1019","","","","","","1.049","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1542961","11.8055","0.0008","13.0054","0.0009","14.4044","0.001","90","","90","","90","","2211.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O2 S -","- C26 H24 N2 O2 S -","- C104 H96 N8 O8 S4 -","4","1","","Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li","Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding","Chem. Sci.","2016","7","7","4453","","10.1039/C6SC00176A","","","0.71073","MoKα","","0.0446","0.0394","","","0.0994","0.1036","","","","","","1.042","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1542962","12.3031","0.0016","10.1584","0.0013","17.27","0.002","90","","95.303","0.002","90","","2149.2","0.5","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 O2 S -","- C26 H24 N2 O2 S -","- C104 H96 N8 O8 S4 -","4","1","","Wu, Qing-Feng; Zheng, Chao; Zhuo, Chun-Xiang; You, Shu-Li","Highly efficient synthesis and stereoselective migration reactions of chiral five-membered aza-spiroindolenines: scope and mechanistic understanding","Chem. Sci.","2016","7","7","4453","","10.1039/C6SC00176A","","","0.71073","MoKα","","0.0672","0.0493","","","0.1068","0.1151","","","","","","0.951","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1542963","14.313","0.006","14.313","0.006","25.736","0.012","90","","90","","90","","5272","4","93","","93","","","","","","","","","5","I 4/m","-I 4","87","","","","- C124 H72 Cl16 N16 Tb2 -","- C124 H72 Cl16 N16 Tb2 -","- C248 H144 Cl32 N32 Tb4 -","2","0.125","","Katoh, Keiichi; Breedlove, Brian K.; Yamashita, Masahiro","Symmetry of octa-coordination environment has a substantial influence on dinuclear TbIIItriple-decker single-molecule magnets","Chem. Sci.","2016","7","7","4329","","10.1039/C5SC04669F","","","0.71075","MoKα","","","0.06","","","","0.1761","","","","","","1.153","","","","has coordinates","185125","2020-10-21","18:00:00",""
"1542964","13.8","0.003","27.638","0.006","23.522","0.005","90","","98.391","0.003","90","","8875","3","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C110 H62 Cl6 N20 Tb2 -","- C110 H62 Cl6 N20 Tb2 -","- C440 H248 Cl24 N80 Tb8 -","4","1","","Katoh, Keiichi; Breedlove, Brian K.; Yamashita, Masahiro","Symmetry of octa-coordination environment has a substantial influence on dinuclear TbIIItriple-decker single-molecule magnets","Chem. Sci.","2016","7","7","4329","","10.1039/C5SC04669F","","","0.71075","MoKα","","0.1055","0.0761","","","0.1859","0.2231","","","","","","1.109","","","","has coordinates","185125","2020-10-21","18:00:00",""
"1542965","8.3113","0.0005","12.197","0.0006","12.7574","0.0007","101.086","0.004","105.393","0.005","93.456","0.005","1215.1","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","4-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)phenol","","- C25 H25 Cl N2 O3 S2 -","- C25 H23 Cl N2 O3 S2 -","- C50 H46 Cl2 N4 O6 S4 -","2","1","","Huang, Manna; Yu, Ruina; Xu, Ke; Ye, Shuxian; Kuang, Shi; Zhu, Xinhai; Wan, Yiqian","An arch-bridge-type fluorophore for bridging the gap between aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE)","Chem. Sci.","2016","7","7","4485","","10.1039/C6SC01254J","","","1.54178","CuKα","","0.0609","0.0507","","","0.1294","0.1393","","","","","","1.028","","","","has coordinates,has disorder","185131","2020-10-21","18:00:00",""
"1542966","9.1702","0.0004","18.4101","0.0009","24.3386","0.0011","90","","90","","90","","4108.9","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","DF1","-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)phenol","","- C23 H17 Cl N2 O S2 -","- C23 H17 Cl N2 O S2 -","- C184 H136 Cl8 N16 O8 S16 -","8","1","","Huang, Manna; Yu, Ruina; Xu, Ke; Ye, Shuxian; Kuang, Shi; Zhu, Xinhai; Wan, Yiqian","An arch-bridge-type fluorophore for bridging the gap between aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE)","Chem. Sci.","2016","7","7","4485","","10.1039/C6SC01254J","","","0.71073","MoKα","","0.0833","0.0627","","","0.1646","0.1821","","","","","","1.029","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1542967","14.1636","0.0004","7.6109","0.0002","20.6614","0.0005","90","","103.485","0.003","90","","2165.85","0.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)-3-hydroxybenzonitrile","","- C24 H16 Cl N3 O S2 -","- C24 H16 Cl N3 O S2 -","- C96 H64 Cl4 N12 O4 S8 -","4","1","","Huang, Manna; Yu, Ruina; Xu, Ke; Ye, Shuxian; Kuang, Shi; Zhu, Xinhai; Wan, Yiqian","An arch-bridge-type fluorophore for bridging the gap between aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE)","Chem. Sci.","2016","7","7","4485","","10.1039/C6SC01254J","","","1.54178","CuKα","","0.0536","0.0444","","","0.1225","0.1325","","","","","","1.029","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1542968","9.5948","0.0006","10.3128","0.0007","12.0188","0.0008","87.285","0.005","86.081","0.005","83.966","0.005","1178.93","0.13","293","10","293","2","","","","","","","","6","P -1","-P 1","2","","N-(2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno[3,2-e]pyridin-2-yl)phenyl)methanesulfonamide","","- C24 H20 Cl N3 O2 S3 -","- C24 H20 Cl N3 O2 S3 -","- C48 H40 Cl2 N6 O4 S6 -","2","1","","Huang, Manna; Yu, Ruina; Xu, Ke; Ye, Shuxian; Kuang, Shi; Zhu, Xinhai; Wan, Yiqian","An arch-bridge-type fluorophore for bridging the gap between aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE)","Chem. Sci.","2016","7","7","4485","","10.1039/C6SC01254J","","","1.54178","CuKα","","0.0756","0.0651","","","0.1708","0.182","","","","","","1.046","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1542969","10.6742","0.0005","10.973","0.0006","13.2942","0.0007","112.061","0.005","95.45","0.004","93.025","0.004","1429.98","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","N-(2-(8-(2-chlorophenyl)-6-isopropylthiazolo[5,4-b]thieno [3,2-e]pyridin-2-yl)phenyl)-4-methylbenzenesulfonamide","","- C30 H24 Cl N3 O2 S3 -","- C30 H24 Cl N3 O2 S3 -","- C60 H48 Cl2 N6 O4 S6 -","2","1","","Huang, Manna; Yu, Ruina; Xu, Ke; Ye, Shuxian; Kuang, Shi; Zhu, Xinhai; Wan, Yiqian","An arch-bridge-type fluorophore for bridging the gap between aggregation-caused quenching (ACQ) and aggregation-induced emission (AIE)","Chem. Sci.","2016","7","7","4485","","10.1039/C6SC01254J","","","1.54178","CuKα","","0.068","0.0574","","","0.1593","0.1711","","","","","","1.03","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543019","18.495","0.003","10.4499","0.0015","20.683","0.003","90","","112.149","0.002","90","","3702.4","1","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Et4N][Fe4N(CO)11PPh2EtOH]","","","- C33 H35 Fe4 N2 O12 P -","- C33 H35 Fe4 N2 O12 P -","- C132 H140 Fe16 N8 O48 P4 -","4","1","","Loewen, Natalia D.; Thompson, Emily J.; Kagan, Michael; Banales, Carolina L.; Myers, Thomas W.; Fettinger, James C.; Berben, Louise A.","A pendant proton shuttle on [Fe4N(CO)12]−alters product selectivity in formate vs. H2production via the hydride [H‒Fe4N(CO)12]−","Chem. Sci.","2016","7","4","2728","","10.1039/C5SC03169A","","","0.71073","MoKα","","0.0296","0.024","","","0.0594","0.0626","","","","","","1.03","","","","has coordinates","181482","2020-10-21","18:00:00",""
"1543020","25.63","0.002","10.6233","0.0008","31.622","0.002","90","","95.408","0.001","90","","8571.6","1.1","90","2","90","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","[Et4N][Fe4N(CO)11PPh3]","","","- C41 H43 Fe4 N2 O12 P -","- C41 H43 Fe4 N2 O12 P -","- C328 H344 Fe32 N16 O96 P8 -","8","1","","Loewen, Natalia D.; Thompson, Emily J.; Kagan, Michael; Banales, Carolina L.; Myers, Thomas W.; Fettinger, James C.; Berben, Louise A.","A pendant proton shuttle on [Fe4N(CO)12]−alters product selectivity in formate vs. H2production via the hydride [H‒Fe4N(CO)12]−","Chem. Sci.","2016","7","4","2728","","10.1039/C5SC03169A","","","0.71073","MoKα","","0.0264","0.0229","","","0.0572","0.059","","","","","","1.056","","","","has coordinates,has disorder","181482","2020-10-21","18:00:00",""
"1543026","19.202","0.004","20.734","0.004","24.321","0.005","93.96","0.03","108.19","0.03","96.25","0.03","9090","4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","SL_127","","- C176.5 H153.4 B2 F8 N12 O8 Pd2 S2 -","- C176.575 H153.524 B2 F8 N12 O8 Pd2 S2 -","- C353.15 H307.048 B4 F16 N24 O16 Pd4 S4 -","2","1","","Löffler, Susanne; Lübben, Jens; Wuttke, Axel; Mata, Ricardo A.; John, Michael; Dittrich, Birger; Clever, Guido H.","Internal dynamics and guest binding of a sterically overcrowded host","Chem. Sci.","2016","7","7","4676","","10.1039/C6SC00985A","","","0.97896","","","0.1254","0.1071","","","0.3096","0.3285","","","","","","1.388","","","","has coordinates,has disorder","217633","2020-10-21","18:00:00",""
"1543027","15.19","0.003","18.168","0.004","18.77","0.004","64.9","0.03","79.12","0.03","76.17","0.03","4532","2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","SL_125","","- C185 H173 B2 F8 N14 O6 Pd2 S2 -","- C185.49 H174.025 B2 F8 N14 O6 Pd2 S2 -","- C185.49 H174.025 B2 F8 N14 O6 Pd2 S2 -","1","0.5","","Löffler, Susanne; Lübben, Jens; Wuttke, Axel; Mata, Ricardo A.; John, Michael; Dittrich, Birger; Clever, Guido H.","Internal dynamics and guest binding of a sterically overcrowded host","Chem. Sci.","2016","7","7","4676","","10.1039/C6SC00985A","","","0.97896","","","0.0947","0.0798","","","0.2269","0.2374","","","","","","1.086","","","","has coordinates,has disorder","185109","2020-10-21","18:00:00",""
"1543028","18","0.004","24.665","0.005","25.221","0.005","109.16","0.03","97.62","0.03","100.3","0.03","10184","5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","SL_123","","- C192 H177 Fe2 N12 O15 Pd2 S4 -","- C192 H177 Fe2 N12 O15 Pd2 S4 -","- C384 H354 Fe4 N24 O30 Pd4 S8 -","2","1","","Löffler, Susanne; Lübben, Jens; Wuttke, Axel; Mata, Ricardo A.; John, Michael; Dittrich, Birger; Clever, Guido H.","Internal dynamics and guest binding of a sterically overcrowded host","Chem. Sci.","2016","7","7","4676","","10.1039/C6SC00985A","","","0.71073","MoKα","","0.1384","0.1178","","","0.2947","0.3137","","","","","","1.164","","","","has coordinates","185109","2020-10-21","18:00:00",""
"1543029","16.196","0.003","16.375","0.003","17.065","0.003","74.2","0.03","62.65","0.03","71.79","0.03","3773.9","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","SL_ADA1","","- C172 H164 B4 F16 N12 Pd2 -","- C172 H164 B4 F16 N12 Pd2 -","- C172 H164 B4 F16 N12 Pd2 -","1","0.5","","Löffler, Susanne; Lübben, Jens; Wuttke, Axel; Mata, Ricardo A.; John, Michael; Dittrich, Birger; Clever, Guido H.","Internal dynamics and guest binding of a sterically overcrowded host","Chem. Sci.","2016","7","7","4676","","10.1039/C6SC00985A","","","1","","","0.183","0.1421","","","0.3421","0.3767","","","","","","1.28","","","","has coordinates","185109","2020-10-21","18:00:00",""
"1543030","5.8323","0.0004","6.989","0.0004","13.7431","0.0009","97.28","0.002","98.85","0.002","91.576","0.002","548.43","0.06","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C10 H12 B N O4 S -","- C10 H12 B N O4 S -","- C20 H24 B2 N2 O8 S2 -","2","2","","Bandyopadhyay, Anupam; Cambray, Samantha; Gao, Jianmin","Fast and selective labeling of N-terminal cysteines at neutral pH via thiazolidino boronate formation.","Chemical science","2016","7","7","4589","4593","10.1039/C6SC00172F","","","1.54178","CuKα","","0.0261","0.026","","","0.0701","0.0703","","","","","","1.033","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543033","22.825","0.003","22.825","0.003","22.825","0.003","90","","90","","90","","11891","3","293","2","293","2","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","","","- C69 H45 Ir N6 -","- C69 H45 Ir N6 -","- C552 H360 Ir8 N48 -","8","0.333333","","Pan, Long; Xu, Meng-Ying; Feng, Li-Juan; Chen, Qi; He, Yu-Jian; Han, Bao-Hang","Conjugated microporous polycarbazole containing tris(2-phenylpyridine)iridium(iii) complexes: phosphorescence, porosity, and heterogeneous organic photocatalysis","Polym. Chem.","2016","7","12","2299","","10.1039/C5PY01955A","","","0.71073","MoKα","","0.0892","0.0588","","","0.1938","0.2211","","","","","","1.132","","","","has coordinates","181520","2020-10-21","18:00:00",""
"1543044","16.7707","0.0005","12.8886","0.0003","24.1907","0.0006","90","","90","","90","","5228.8","0.2","180","2","180.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H39 Cl10 N7 O8 Ru -","- C50 H39 Cl10 N7 O8 Ru -","- C200 H156 Cl40 N28 O32 Ru4 -","4","1","","Zhu, Ben-Zhan; Chao, Xi-Juan; Huang, Chun-Hua; Li, Yan","Delivering the cell-impermeable DNA ‘light-switching’ Ru(ii) complexes preferentially into live-cell nucleus via an unprecedented ion-pairing method","Chem. Sci.","2016","7","7","4016","","10.1039/C5SC03796D","","","0.71073","MoKα","","0.0353","0.0314","","","0.0755","0.0783","","","","","","1.088","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543067","7.8922","0.0004","12.0779","0.0007","13.8862","0.0007","67.02","0.005","84.303","0.004","85.759","0.004","1211.69","0.12","180","0.14","180","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C27 H30 B F4 N3 O2 -","- C27 H30 B F4 N3 O2 -","- C54 H60 B2 F8 N6 O4 -","2","1","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.54184","CuKα","","0.0566","0.0403","","","0.0904","0.0977","","","","","","0.96","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543068","22.69881","0.00019","21.08434","0.00017","10.5946","0.00009","90","","90","","90","","5070.46","0.07","180","0.14","180","0.14","","","","","","","","6","P n 21 a","P -2ac -2n","33","","","","- C28 H29 B F4 N2 O3 -","- C28 H29 B F4 N2 O3 -","- C224 H232 B8 F32 N16 O24 -","8","2","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.5418","CuKα","","0.0546","0.051","","","0.148","0.1533","","","","","","1.033","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1543069","7.9972","0.0004","20.6791","0.0007","13.5143","0.0004","90","","90.901","0.003","90","","2234.65","0.15","180","0.14","180","0.14","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 Cl N2 O3 -","- C27 H29 Cl N2 O3 -","- C108 H116 Cl4 N8 O12 -","4","1","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.5418","CuKα","","0.0733","0.0545","","","0.1508","0.1636","","","","","","1.046","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543070","10.9867","0.0006","12.0208","0.0006","13.2458","0.0008","82.687","0.005","66.161","0.006","79.273","0.005","1569.51","0.17","180","0.14","180","0.14","","","","","","","","7","P -1","-P 1","2","","","","- C31 H35 B Cl2 F4 N2 O4 -","- C31 H35 B Cl2 F4 N2 O4 -","- C62 H70 B2 Cl4 F8 N4 O8 -","2","1","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.54184","CuKα","","0.0545","0.0502","","","0.132","0.1362","","","","","","1.067","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543071","8.8012","0.0003","13.0835","0.0004","14.2973","0.0004","108.555","0.003","106.512","0.003","97.631","0.003","1450.56","0.09","179.95","0.1","179.95","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H36 B F4 N3 O3 -","- C31 H36 B F4 N3 O3 -","- C62 H72 B2 F8 N6 O6 -","2","1","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.54184","CuKα","","0.048","0.0421","","","0.1129","0.1179","","","","","","1.063","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1543072","11.0563","0.0003","13.288","0.0004","14.0408","0.0005","115.683","0.003","92.594","0.003","112.243","0.003","1665.64","0.12","180","0.14","180","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C35.5 H42 B F4 N3 O3 -","- C35.5 H42 B F4 N3 O3 -","- C71 H84 B2 F8 N6 O6 -","2","1","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.5418","CuKα","","0.0631","0.0574","","","0.1675","0.1748","","","","","","1.049","","","","has coordinates,has disorder","185110","2020-10-21","18:00:00",""
"1543073","11.1714","0.0006","11.8849","0.0006","13.3323","0.0007","84.422","0.004","65.83","0.005","79.905","0.004","1589.32","0.16","180","2","180.15","","","","","","","","","8","P -1","-P 1","2","","","","- C31 H35 B Cl2 F4 N2 O3 S -","- C31 H35 B Cl2 F4 N2 O3 S -","- C62 H70 B2 Cl4 F8 N4 O6 S2 -","2","1","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.54184","CuKα","","0.0643","0.061","","","0.175","0.1786","","","","","","1.066","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543074","7.8446","0.0004","12.7594","0.0007","13.7549","0.0008","69.935","0.005","78.524","0.005","82.802","0.005","1264.91","0.13","180","0.14","180","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C28 H31 B F4 N2 O3 -","- C28 H31 B F4 N2 O3 -","- C56 H62 B2 F8 N4 O6 -","2","1","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.5418","CuKα","","0.0615","0.0468","","","0.1223","0.1349","","","","","","1.026","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543075","10.025","0.0005","19.7722","0.0008","12.5456","0.0006","90","","95.411","0.004","90","","2475.7","0.2","180","2","180","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C27 H29 B F4 N2 O2 -","- C27 H29 B F4 N2 O2 -","- C108 H116 B4 F16 N8 O8 -","4","0.5","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.54184","CuKα","","0.0705","0.0621","","","0.1794","0.1905","","","","","","1.067","","","","has coordinates,has disorder","185110","2020-10-21","18:00:00",""
"1543076","11.8159","0.0007","14.3381","0.0007","17.9959","0.0009","78.648","0.004","84.294","0.004","66.016","0.005","2730.4","0.3","179","2","179","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H29 N5 O10 -","- C27 H29 N5 O10 -","- C108 H116 N20 O40 -","4","2","","Delgado, I. Hernández; Pascal, S.; Wallabregue, A.; Duwald, R.; Besnard, C.; Guénée, L.; Nançoz, C.; Vauthey, E.; Tovar, R. C.; Lunkley, J. L.; Muller, G.; Lacour, J.","Functionalized cationic [4]helicenes with unique tuning of absorption, fluorescence and chiroptical properties up to the far-red range","Chem. Sci.","2016","7","7","4685","","10.1039/C6SC00614K","","x-ray","1.5418","CuKα","","0.0466","0.0407","","","0.1164","0.1227","","","","","","1.052","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543092","13.7628","0.001","14.6969","0.0013","20.612","0.003","92.199","0.01","108.292","0.008","115.12","0.008","3512","0.8","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H112 Dy I3 N8 O10 P4 -","- C40 H112 Dy I3 N8 O10 P4 -","- C80 H224 Dy2 I6 N16 O20 P8 -","2","1","","Gupta, Sandeep K.; Rajeshkumar, Thayalan; Rajaraman, Gopalan; Murugavel, Ramaswamy","An air-stable Dy(iii) single-ion magnet with high anisotropy barrier and blocking temperature","Chem. Sci.","2016","7","8","5181","","10.1039/C6SC00279J","","","0.71075","MoKα","","0.0335","0.0318","","","0.0658","0.0667","","","","","","1.09","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543093","13.737","0.0008","14.6858","0.0014","20.603","0.0017","92.107","0.009","108.177","0.007","115.121","0.012","3505.6","0.7","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H112 Er I3 N8 O10 P4 -","- C40 H112 Er I3 N8 O10 P4 -","- C80 H224 Er2 I6 N16 O20 P8 -","2","1","","Gupta, Sandeep K.; Rajeshkumar, Thayalan; Rajaraman, Gopalan; Murugavel, Ramaswamy","An air-stable Dy(iii) single-ion magnet with high anisotropy barrier and blocking temperature","Chem. Sci.","2016","7","8","5181","","10.1039/C6SC00279J","","","0.71075","MoKα","","0.0262","0.0256","","","0.0622","0.0625","","","","","","1.079","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543094","13.7506","0.0013","14.727","0.002","20.641","0.002","92.293","0.014","108.245","0.01","114.902","0.008","3528.3","0.8","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H112 I3 N8 O10 P4 Y -","- C40 H112 I3 N8 O10 P4 Y -","- C80 H224 I6 N16 O20 P8 Y2 -","2","1","","Gupta, Sandeep K.; Rajeshkumar, Thayalan; Rajaraman, Gopalan; Murugavel, Ramaswamy","An air-stable Dy(iii) single-ion magnet with high anisotropy barrier and blocking temperature","Chem. Sci.","2016","7","8","5181","","10.1039/C6SC00279J","","","0.71075","MoKα","","0.036","0.0336","","","0.0762","0.0775","","","","","","1.06","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543095","8.4474","0.0005","8.6414","0.0004","10.5047","0.0006","101.755","0.004","103.383","0.005","98.623","0.004","714.54","0.07","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 N4 O6 S2 -","- C28 H32 N4 O6 S2 -","- C28 H32 N4 O6 S2 -","1","0.5","","Qin, Lei; Hartley, Anna; Turner, Peter; Elmes, Robert B. P.; Jolliffe, Katrina A.","Macrocyclic squaramides: anion receptors with high sulfate binding affinity and selectivity in aqueous media","Chem. Sci.","2016","7","7","4563","","10.1039/C6SC01011C","","","1.5418","CuKα","","0.035","0.0328","","","0.088","0.0902","","","","","","1.323","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543096","8.4511","0.0002","8.5911","0.0002","10.8922","0.0002","73.717","0.002","84.157","0.002","69.545","0.002","711.23","0.03","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 N4 O6 S2 -","- C28 H32 N4 O6 S2 -","- C28 H32 N4 O6 S2 -","1","0.5","","Qin, Lei; Hartley, Anna; Turner, Peter; Elmes, Robert B. P.; Jolliffe, Katrina A.","Macrocyclic squaramides: anion receptors with high sulfate binding affinity and selectivity in aqueous media","Chem. Sci.","2016","7","7","4563","","10.1039/C6SC01011C","","","1.5418","CuKα","","0.0365","0.0357","","","0.0875","0.0879","","","","","","1.308","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543097","20.3065","0.0019","12.0238","0.001","25.441","0.002","90","","110.374","0.005","90","","5823.1","0.9","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H96 N6 O10 S -","- C56 H96 N6 O10 S -","- C224 H384 N24 O40 S4 -","4","1","","Qin, Lei; Hartley, Anna; Turner, Peter; Elmes, Robert B. P.; Jolliffe, Katrina A.","Macrocyclic squaramides: anion receptors with high sulfate binding affinity and selectivity in aqueous media","Chem. Sci.","2016","7","7","4563","","10.1039/C6SC01011C","","","0.71073","MoKα","","0.0654","0.0482","","","0.1097","0.1182","","","","","","1.184","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1543098","6.0434","0.0003","8.9035","0.0005","20.1417","0.001","101.174","0.005","91.268","0.004","107.342","0.005","1011.2","0.1","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C40 H48 N4 O14 -","- C40 H48 N4 O14 -","- C40 H48 N4 O14 -","1","0.5","","Qin, Lei; Hartley, Anna; Turner, Peter; Elmes, Robert B. P.; Jolliffe, Katrina A.","Macrocyclic squaramides: anion receptors with high sulfate binding affinity and selectivity in aqueous media","Chem. Sci.","2016","7","7","4563","","10.1039/C6SC01011C","","","1.5418","CuKα","","0.1039","0.0509","","","0.1016","0.1096","","","","","","1.176","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1543100","38.0927","0.0019","11.6377","0.0006","16.7259","0.0007","90","","100.791","0.005","90","","7283.7","0.6","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H63 N0 O Si2 U -","- C36 H63 O Si2 U -","- C288 H504 O8 Si16 U8 -","8","1","","Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.","Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes","Chem. Sci.","2016","7","7","4624","","10.1039/C6SC00632A","","","0.71073","MoKα","","0.0495","0.0344","","","0.0655","0.0705","","","","","","1.021","","","","has coordinates,has disorder","185121","2020-10-21","18:00:00",""
"1543101","22.8816","0.0013","12.0603","0.0005","16.2087","0.0008","90","","108.372","0.006","90","","4245","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H72 N O Si2 U -","- C41 H72 N O Si2 U -","- C164 H288 N4 O4 Si8 U4 -","4","1","","Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.","Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes","Chem. Sci.","2016","7","7","4624","","10.1039/C6SC00632A","","","0.71073","MoKα","","0.0804","0.0594","","","0.1288","0.1376","","","","","","1.119","","","","has coordinates,has disorder","185121","2020-10-21","18:00:00",""
"1543102","16.6069","0.0013","22.4849","0.0019","11.2503","0.0011","90","","90","","90","","4200.9","0.6","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H72 O Si3 U -","- C39 H72 O Si3 U -","- C156 H288 O4 Si12 U4 -","4","0.5","","Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.","Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes","Chem. Sci.","2016","7","7","4624","","10.1039/C6SC00632A","","","1.54184","CuKα","","0.1465","0.0983","","","0.2378","0.2983","","","","","","1.014","","","","has coordinates","185121","2020-10-21","18:00:00",""
"1543103","10.7251","0.0002","18.7626","0.0003","11.9516","0.0002","90","","95.238","0.001","90","","2394.99","0.07","173","2","173","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C22 H41.5 N0.5 Na0.5 O Si U0.5 -","- C22 H41.5 N0.5 Na0.5 O Si U0.5 -","- C88 H166 N2 Na2 O4 Si4 U2 -","4","1","","Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.","Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes","Chem. Sci.","2016","7","7","4624","","10.1039/C6SC00632A","","","1.54184","CuKα","","0.0343","0.0305","","","0.0728","0.0762","","","","","","1.032","","","","has coordinates","185121","2020-10-21","18:00:00",""
"1543104","12.3696","0.0004","13.4214","0.0005","21.7314","0.0006","98.997","0.003","99.477","0.002","109.711","0.003","3261.6","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H204 N2 Na O6 Si8 U4 -","- C120 H204 N2 Na O6 Si8 U4 -","- C120 H204 N2 Na O6 Si8 U4 -","1","0.5","","Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.","Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes","Chem. Sci.","2016","7","7","4624","","10.1039/C6SC00632A","","","1.54184","CuKα","","0.0488","0.0338","","","0.084","0.0908","","","","","","1.024","","","","has coordinates,has disorder","282761","2023-04-20","06:45:56",""
"1543105","11.1168","0.0004","19.7384","0.0006","13.01","0.0005","90","","90.901","0.003","90","","2854.4","0.17","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C55 H95 K O7 Si2 U -","- C55 H95 K O7 Si2 U -","- C110 H190 K2 O14 Si4 U2 -","2","0.5","","Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.","Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes","Chem. Sci.","2016","7","7","4624","","10.1039/C6SC00632A","","","0.71073","MoKα","","0.045","0.0371","","","0.072","0.0744","","","","","","1.08","","","","has coordinates","186650","2020-10-21","18:00:00",""
"1543106","7.8163","0.0016","11.555","0.002","26.919","0.005","90","","90","","90","","2431.3","0.8","133.15","","133.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","7","","- C26 H33 N O5 S -","- C26 H33 N O5 S -","- C104 H132 N4 O20 S4 -","4","1","","Liu, Yang; Cheng, Li-Jie; Yue, Hai-Tao; Che, Wen; Xie, Jian-Hua; Zhou, Qi-Lin","Divergent enantioselective synthesis of hapalindole-type alkaloids using catalytic asymmetric hydrogenation of a ketone to construct the chiral core structure","Chem. Sci.","2016","7","7","4725","","10.1039/C6SC00686H","","","0.71073","MoKα","","0.1148","0.0837","","","0.1899","0.2057","","","","","","1.128","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543107","8.6706","0.0002","7.72008","0.00019","11.4872","0.0003","90","","90","","90","","768.93","0.03","123","3","123","3","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H8 N2 O6 Zn -","- C3 H8 N2 O6 Zn -","- C12 H32 N8 O24 Zn4 -","4","1","","Kieslich, Gregor; Kumagai, Shohei; Forse, Alexander C.; Sun, Shijing; Henke, Sebastian; Yamashita, Masahiro; Grey, Clare P.; Cheetham, Anthony K.","Tuneable mechanical and dynamical properties in the ferroelectric perovskite solid solution [NH3NH2]1−x[NH3OH]xZn(HCOO)3","Chem. Sci.","2016","7","8","5108","","10.1039/C6SC01247G","","x-ray","0.71073","MoKα","","0.0299","0.0233","","","0.0512","0.0541","","","","","","1.059","","","","has coordinates","185163","2020-10-21","18:00:00",""
"1543108","8.61779","0.00012","7.73073","0.0001","11.50052","0.00016","90","","90","","90","","766.185","0.018","119.8","0.6","119.8","0.6","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C3 H7.5 N1.5 O6.5 Zn -","- C3 H7.5 N1.5 O6.5 Zn -","- C12 H30 N6 O26 Zn4 -","4","1","","Kieslich, Gregor; Kumagai, Shohei; Forse, Alexander C.; Sun, Shijing; Henke, Sebastian; Yamashita, Masahiro; Grey, Clare P.; Cheetham, Anthony K.","Tuneable mechanical and dynamical properties in the ferroelectric perovskite solid solution [NH3NH2]1−x[NH3OH]xZn(HCOO)3","Chem. Sci.","2016","7","8","5108","","10.1039/C6SC01247G","","x-ray","0.71073","MoKα","","0.0393","0.0264","","","0.0537","0.0581","","","","","","1.028","","","","has coordinates,has disorder","185163","2020-10-21","18:00:00",""
"1543120","23.25","0.04","18.52","0.03","15.75","0.05","90","","131.715","0.014","90","","5062","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H25 Br2 F N2 O2 -","- C26 H25 Br2 F N2 O2 -","- C208 H200 Br16 F8 N16 O16 -","8","1","","Jiang, Bin; Du, Chen Chen; Li, Min Jie; Gao, Ke; Kou, Li; Chen, Ming; Liu, Feng; Russell, Thomas P.; Wang, Hongyu","Synthesis of fluorinated diphenyl-diketopyrrolopyrrole derivatives as new building blocks for conjugated copolymers","Polym. Chem.","2016","7","19","3311","","10.1039/C6PY00346J","","","0.71073","MoKα","","0.1262","0.0737","","","0.2083","0.2467","","","","","","1.039","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543121","23.213","0.004","18.364","0.003","15.662","0.003","90","","131.74","0.002","90","","4981.8","1.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 Br2 F2 N2 O2 -","- C26 H24 Br2 F2 N2 O2 -","- C208 H192 Br16 F16 N16 O16 -","8","1","","Jiang, Bin; Du, Chen Chen; Li, Min Jie; Gao, Ke; Kou, Li; Chen, Ming; Liu, Feng; Russell, Thomas P.; Wang, Hongyu","Synthesis of fluorinated diphenyl-diketopyrrolopyrrole derivatives as new building blocks for conjugated copolymers","Polym. Chem.","2016","7","19","3311","","10.1039/C6PY00346J","","","0.71073","MoKα","","0.1464","0.0844","","","0.2662","0.3129","","","","","","1.063","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543122","12.99","0.003","4.2334","0.001","17.997","0.004","90","","101.476","0.002","90","","969.9","0.4","296","2","296","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C22 H17 Br2 F N2 O2 -","- C22 H17 Br2 F N2 O2 -","- C44 H34 Br4 F2 N4 O4 -","2","1","","Jiang, Bin; Du, Chen Chen; Li, Min Jie; Gao, Ke; Kou, Li; Chen, Ming; Liu, Feng; Russell, Thomas P.; Wang, Hongyu","Synthesis of fluorinated diphenyl-diketopyrrolopyrrole derivatives as new building blocks for conjugated copolymers","Polym. Chem.","2016","7","19","3311","","10.1039/C6PY00346J","","","0.71073","MoKα","","0.059","0.0352","","","0.0808","0.0917","","","","","","1.016","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543123","7.389","0.003","8.698","0.003","12.87","0.005","70.95","0.005","73.447","0.004","74.305","0.004","734.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 Br2 F2 N2 O4 -","- C30 H32 Br2 F2 N2 O4 -","- C30 H32 Br2 F2 N2 O4 -","1","0.5","","Jiang, Bin; Du, Chen Chen; Li, Min Jie; Gao, Ke; Kou, Li; Chen, Ming; Liu, Feng; Russell, Thomas P.; Wang, Hongyu","Synthesis of fluorinated diphenyl-diketopyrrolopyrrole derivatives as new building blocks for conjugated copolymers","Polym. Chem.","2016","7","19","3311","","10.1039/C6PY00346J","","","0.71073","MoKα","","0.0675","0.0539","","","0.1461","0.168","","","","","","1.022","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543181","7.593","0.003","11.744","0.004","16.592","0.005","90","","99.277","0.007","90","","1460.2","0.9","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Br N2 O3 -","- C16 H11 Br N2 O3 -","- C64 H44 Br4 N8 O12 -","4","1","","Jeong, Jinseong; Park, Sehoon; Chang, Sukbok","Iridium-catalyzed selective 1,2-hydrosilylation of N-heterocycles","Chem. Sci.","2016","7","8","5362","","10.1039/C6SC01037G","","","0.71073","MoKα","","0.0885","0.0416","","","0.0813","0.1074","","","","","","1.021","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543182","9.1633","0.0007","9.3697","0.0007","16.2725","0.0013","80.079","0.007","75.592","0.007","68.886","0.007","1257.03","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 F3 N3 O4 S -","- C27 H28 F3 N3 O4 S -","- C54 H56 F6 N6 O8 S2 -","2","1","","Berry, Stuart N.; Soto-Cerrato, Vanessa; Howe, Ethan N. W.; Clarke, Harriet J.; Mistry, Ishna; Tavassoli, Ali; Chang, Young-Tae; Pérez-Tomás, Ricardo; Gale, Philip A.","Fluorescent transmembrane anion transporters: shedding light on anionophoric activity in cells","Chem. Sci.","2016","7","8","5069","","10.1039/C6SC01643J","","x-ray","0.71073","MoKα","","0.1711","0.0878","","","0.1784","0.2178","","","","","","1.034","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543183","11.2679","0.0014","13.3101","0.0017","15.2998","0.0019","100.653","0.002","107.431","0.002","110.833","0.002","1933.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H44 B20 Ni P2 -","- C30 H44 B20 Ni P2 -","- C60 H88 B40 Ni2 P4 -","2","1","","Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M.","Luminescent metal complexes featuring photophysically innocent boron cluster ligands","Chem. Sci.","2016","7","8","5132","","10.1039/C6SC01146B","","","0.71073","MoKα","","0.0647","0.0396","","","0.0892","0.0999","","","","","","1.02","","","","has coordinates","185151","2020-10-21","18:00:00",""
"1543184","21.7659","0.0017","10.9289","0.0009","25.019","0.002","90","","96.4644","0.001","90","","5913.6","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H68 B20 P2 Pd -","- C54 H68 B20 P2 Pd -","- C216 H272 B80 P8 Pd4 -","4","1","","Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M.","Luminescent metal complexes featuring photophysically innocent boron cluster ligands","Chem. Sci.","2016","7","8","5132","","10.1039/C6SC01146B","","","0.71073","MoKα","","0.0337","0.026","","","0.0682","0.0725","","","","","","1.017","","","","has coordinates","185151","2020-10-21","18:00:00",""
"1543185","11.2436","0.0008","13.3586","0.001","15.2381","0.0011","102.533","0.001","106.157","0.001","111.37","0.001","1913.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H44 B20 P2 Pt -","- C30 H44 B20 P2 Pt -","- C60 H88 B40 P4 Pt2 -","2","1","","Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M.","Luminescent metal complexes featuring photophysically innocent boron cluster ligands","Chem. Sci.","2016","7","8","5132","","10.1039/C6SC01146B","","","0.71073","MoKα","","0.031","0.0235","","","0.0527","0.0548","","","","","","1.05","","","","has coordinates","185151","2020-10-21","18:00:00",""
"1543186","10.7808","0.0009","14.3611","0.0012","15.6014","0.0013","63.9504","0.0012","79.9962","0.0013","76.7773","0.0013","2105.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H64 B20 N2 O2 Pt -","- C32.055 H64.11 B20 N2 O2.011 Pt -","- C64.11 H128.22 B40 N4 O4.022 Pt2 -","2","1","","Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M.","Luminescent metal complexes featuring photophysically innocent boron cluster ligands","Chem. Sci.","2016","7","8","5132","","10.1039/C6SC01146B","","","0.71073","MoKα","","0.0173","0.0158","","","0.0389","0.0395","","","","","","1.068","","","","has coordinates,has disorder","185151","2020-10-21","18:00:00",""
"1543187","10.8488","0.0011","13.1236","0.0014","16.511","0.0017","112.701","0.001","97.749","0.001","94.541","0.001","2126.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H130 B40 N4 O Pt2 -","- C64 H130 B40 N4 O Pt2 -","- C64 H130 B40 N4 O Pt2 -","1","0.5","","Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M.","Luminescent metal complexes featuring photophysically innocent boron cluster ligands","Chem. Sci.","2016","7","8","5132","","10.1039/C6SC01146B","","","0.71073","MoKα","","0.0636","0.046","","","0.0899","0.1023","","","","","","1.123","","","","has coordinates,has disorder","185151","2020-10-21","18:00:00",""
"1543188","7.2892","0.0004","17.2701","0.0011","9.625","0.0006","90","","97.582","0.004","90","","1201.05","0.13","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H38 B20 -","- C12 H38 B20 -","- C24 H76 B40 -","2","0.5","","Kirlikovali, Kent O.; Axtell, Jonathan C.; Gonzalez, Alejandra; Phung, Alice C.; Khan, Saeed I.; Spokoyny, Alexander M.","Luminescent metal complexes featuring photophysically innocent boron cluster ligands","Chem. Sci.","2016","7","8","5132","","10.1039/C6SC01146B","","","1.54178","CuKα","","0.0537","0.0513","","","0.1463","0.1489","","","","","","1.089","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1543189","10.298","","9.153","","10.795","","90","","104.69","","90","","984.25","","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","m-P4A","","- C27 H20 O -","- C27 H20 O -","- C54 H40 O2 -","2","1","","Xu, Bingjia; Li, Wenlang; He, Jiajun; Wu, Sikai; Zhu, Qiangzhong; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.","Achieving very bright mechanoluminescence from purely organic luminophores with aggregation-induced emission by crystal design","Chem. Sci.","2016","7","8","5307","","10.1039/C6SC01325B","","","1.54178","CuKα","","0.0475","0.0448","","","0.12","0.1232","","","","","","1.061","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543190","11.475","","8.27","","20.338","","90","","103.7","","90","","1875.13","","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","p-FP2A","","- C27 H18 O -","- C27 H18 O -","- C108 H72 O4 -","4","1","","Xu, Bingjia; Li, Wenlang; He, Jiajun; Wu, Sikai; Zhu, Qiangzhong; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.","Achieving very bright mechanoluminescence from purely organic luminophores with aggregation-induced emission by crystal design","Chem. Sci.","2016","7","8","5307","","10.1039/C6SC01325B","","","1.54178","CuKα","","0.0408","0.0384","","","0.0976","0.0997","","","","","","1.034","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543191","9.9253","0.0007","9.3614","0.0005","22.1685","0.0016","90","","99.015","0.007","90","","2034.3","0.2","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","p-P4A","","- C27 H20 O -","- C27 H20 O -","- C108 H80 O4 -","4","2","","Xu, Bingjia; Li, Wenlang; He, Jiajun; Wu, Sikai; Zhu, Qiangzhong; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.","Achieving very bright mechanoluminescence from purely organic luminophores with aggregation-induced emission by crystal design","Chem. Sci.","2016","7","8","5307","","10.1039/C6SC01325B","","","1.54178","CuKα","","0.1964","0.1163","","","0.2996","0.3571","","","","","","1.082","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543192","20.259","","10.585","","9.94","","90","","90","","90","","2131.55","","153","2","153","2","","","","","","","","3","P n a 21","P 2c -2n","33","","p-P4A2","","- C28 H20 O2 -","- C28 H20 O2 -","- C112 H80 O8 -","4","1","","Xu, Bingjia; Li, Wenlang; He, Jiajun; Wu, Sikai; Zhu, Qiangzhong; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.","Achieving very bright mechanoluminescence from purely organic luminophores with aggregation-induced emission by crystal design","Chem. Sci.","2016","7","8","5307","","10.1039/C6SC01325B","","","1.54178","CuKα","","0.047","0.0445","","","0.1009","0.1035","","","","","","1.096","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543193","9.075","","11.785","","19.801","","81.99","","81.95","","89.78","","2076.1","","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","p-P4Ac","","- C28 H22 O -","- C28 H22 O -","- C112 H88 O4 -","4","2","","Xu, Bingjia; Li, Wenlang; He, Jiajun; Wu, Sikai; Zhu, Qiangzhong; Yang, Zhiyong; Wu, Yuan-Chun; Zhang, Yi; Jin, Chongjun; Lu, Po-Yen; Chi, Zhenguo; Liu, Siwei; Xu, Jiarui; Bryce, Martin R.","Achieving very bright mechanoluminescence from purely organic luminophores with aggregation-induced emission by crystal design","Chem. Sci.","2016","7","8","5307","","10.1039/C6SC01325B","","","1.54178","CuKα","","0.0515","0.0457","","","0.1206","0.1268","","","","","","1.03","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543194","16.9152","0.0002","16.9152","0.0002","31.3646","0.0006","90","","90","","120","","7771.9","0.2","150","0.2","150","0.2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C106 H210 Gd7 N8 O45 -","- C106 H209.999 Gd7 N8 O45 -","- C212 H419.999 Gd14 N16 O90 -","2","0.166667","","Pineda, Eufemio Moreno; Lorusso, Giulia; Zangana, Karzan H.; Palacios, Elias; Schnack, Jürgen; Evangelisti, Marco; Winpenny, Richard E. P.; McInnes, Eric J. L.","Observation of the influence of dipolar and spin frustration effects on the magnetocaloric properties of a trigonal prismatic {Gd7} molecular nanomagnet","Chem. Sci.","2016","7","8","4891","","10.1039/C6SC01415A","","x-ray","0.71073","MoKα","","0.0355","0.031","","","0.0637","0.0672","","","","","","1.096","","","","has coordinates,has disorder","185157","2020-10-21","18:00:00",""
"1543195","9.5443","0.0003","12.2675","0.0003","13.2983","0.0004","68.395","0.003","89.878","0.002","84.475","0.002","1439.98","0.08","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H30 Cl2 N6 O2 Ru S -","- C31 H30 Cl2 N6 O2 Ru S -","- C62 H60 Cl4 N12 O4 Ru2 S2 -","2","1","","van Rixel, V. H. S.; Siewert, B.; Hopkins, S. L.; Askes, S. H. C.; Busemann, A.; Siegler, M. A.; Bonnet, Sylvestre","Green light-induced apoptosis in cancer cells by a tetrapyridyl ruthenium prodrug offering two trans coordination sites","Chem. Sci.","2016","7","8","4922","","10.1039/C6SC00167J","","","1.54178","CuKα","","0.0301","0.0283","","","0.0743","0.076","","","","","","1.043","","","","has coordinates","185162","2020-10-21","18:00:00",""
"1543207","15.4997","0.0003","7.5991","0.0002","16.524","0.0005","90","","110.066","0.002","90","","1828.12","0.08","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C13 H32 N3 O4 S -","- C13 H32 N3 O4 S -","- C52 H128 N12 O16 S4 -","4","1","","Liu, Linlin; Gao, Hongcheng; Li, Yupeng; Hanif, Muddasir; Li, Chuan; Gao, Yu; Yang, Bing; Xie, Zengqi; Ma, Yuguang","Six-membered-ring photocyclization in phenyl-substituted p-phenylenevinylene derivatives: a potential factor of instability in conjugated polymers","Polym. Chem.","2016","7","21","3496","","10.1039/C6PY00180G","","","0.71073","MoKα","","0.1031","0.0512","","","0.1327","0.1568","","","","","","1.026","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543208","14.249","0.005","11.262","0.005","17.886","0.006","90","","104.314","0.011","90","","2781.1","1.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C39 H27 N -","- C39 H27 N -","- C156 H108 N4 -","4","1","","Liu, Linlin; Gao, Hongcheng; Li, Yupeng; Hanif, Muddasir; Li, Chuan; Gao, Yu; Yang, Bing; Xie, Zengqi; Ma, Yuguang","Six-membered-ring photocyclization in phenyl-substituted p-phenylenevinylene derivatives: a potential factor of instability in conjugated polymers","Polym. Chem.","2016","7","21","3496","","10.1039/C6PY00180G","","","0.71075","MoKα","","0.217","0.0685","","","0.1133","0.1546","","","","","","0.944","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543213","14.834","0.0005","16.4316","0.0007","29.3685","0.0012","82.872","0.003","88.588","0.003","79.909","0.003","6993.2","0.5","100","","100","","","","101","","","","synthesised","6","P -1","-P 1","2","Halogen bonding molecular shuttle","Halogen bonding two-station [2]rotaxane","","- C283 H301 Cl5 I2 N16 O34 -","- C283 H301 Cl5 I2 N16 O34 -","- C283 H301 Cl5 I2 N16 O34 -","1","0.5","","Barendt, Timothy A.; Robinson, Sean W.; Beer, Paul D.","Superior anion induced shuttling behaviour exhibited by a halogen bonding two station rotaxane","Chem. Sci.","2016","7","8","5171","","10.1039/C6SC00783J","","","0.6889","synchrotron","","0.1988","0.1389","","0.3827","0.323","0.3827","","","","","","0.971","","","","has coordinates,has disorder","185161","2020-10-21","18:00:00",""
"1543258","9.397","0.003","41.912","0.011","37.099","0.011","90","","90.262","0.003","90","","14611","7","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C152 H152 Cl8 N8 O12 -","- C152 H52 Cl8 N8 O12 -","- C608 H208 Cl32 N32 O48 -","4","1","","Katoono, Ryo; Kawai, Shunsuke; Suzuki, Takanori","Dynamic helical cyclophanes with two quadruply-bridged planes arranged in an “obverse and/or reverse” relation","Chem. Sci.","2016","7","5","3240","","10.1039/C5SC04673D","","","0.71075","MoKα","","","0.1604","","","","0.4336","","","","","","1.997","","","","has coordinates","182583","2020-10-21","18:00:00",""
"1543268","9.5684","0.0003","16.352","0.0005","13.9609","0.0004","90","","95.255","0.003","90","","2175.18","0.11","290","2","290","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[(o-Cy2PC6H4SO3)Ni(allyl)] (1c)","","- C21 H31 Ni O3 P S -","- C21 H31 Ni O3 P S -","- C84 H124 Ni4 O12 P4 S4 -","4","1","","Wang, Ruikun; Zhao, Minhui; Chen, Changle","Influence of ligand second coordination sphere effects on the olefin (co)polymerization properties of α-diimine Pd(ii) catalysts","Polym. Chem.","2016","7","23","3933","","10.1039/C6PY00750C","","","0.71073","MoKα","","0.0418","0.0332","","","0.0814","0.0859","","","","","","1.032","","","","has coordinates","183798","2020-10-21","18:00:00",""
"1543271","8.8549","0.0004","18.0318","0.0009","10.1285","0.0005","90","","108.362","0.002","90","","1534.88","0.13","100","1","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-Benzhydrylphthalazine","","- C21 H16 N2 -","- C21 H16 N2 -","- C84 H64 N8 -","4","1","","Brachet, Etienne; Marzo, Leyre; Selkti, Mohamed; König, Burkhard; Belmont, Philippe","Visible light amination/Smiles cascade: access to phthalazine derivatives","Chem. Sci.","2016","7","8","5002","","10.1039/C6SC01095D","","","0.71073","MoKα","","0.0574","0.0468","","","0.1165","0.1245","","","","","","1.027","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543273","12.9588","0.0011","13.5352","0.0009","18.2226","0.0015","90","","126.432","0.005","90","","2571.6","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H73 N4 Si2 -","- C54 H73 N4 Si2 -","- C108 H146 N8 Si4 -","2","0.5","","Arz, Marius I.; Schnakenburg, Gregor; Meyer, Andreas; Schiemann, Olav; Filippou, Alexander C.","The Si2H radical supported by two N-heterocyclic carbenes","Chem. Sci.","2016","7","8","4973","","10.1039/C6SC01569G","","","0.71073","MoKα","","0.1885","0.0755","","","0.1721","0.2042","","","","","","0.754","","","","has coordinates","185148","2020-10-21","18:00:00",""
"1543281","20.258","0.005","20.258","0.005","18.302","0.004","90","","90","","120","","6505","3","100","2","100","2","","","","","","","","7","P 63","P 6c","173","","","","- C126.5 H171 Cl13 N6 O6 S2 U2 -","- C126.5 H170 Cl12.9999 N6 O6 S2 U2 -","- C253 H340 Cl25.9998 N12 O12 S4 U4 -","2","0.333333","","Rosenzweig, Michael W.; Scheurer, Andreas; Lamsfus, Carlos A.; Heinemann, Frank W.; Maron, Laurent; Andrez, Julie; Mazzanti, Marinella; Meyer, Karsten","Uranium(iv) terminal hydrosulfido and sulfido complexes: insights into the nature of the uranium‒sulfur bond","Chem. Sci.","2016","7","9","5857","","10.1039/C6SC00677A","","","0.71073","MoKα","","0.0385","0.0307","","","0.0696","0.0714","","","","","","1.133","","","","has coordinates,has disorder","186330","2020-10-21","18:00:00",""
"1543282","21.017","0.002","12.8557","0.0012","28.173","0.003","90","","101.271","0.003","90","","7465.2","1.3","100","2","100.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C85.23 H109.53 K N3 O9.38 S U -","- C85.234 H109.532 K N3 O9.383 S U -","- C340.936 H438.128 K4 N12 O37.532 S4 U4 -","4","1","","Rosenzweig, Michael W.; Scheurer, Andreas; Lamsfus, Carlos A.; Heinemann, Frank W.; Maron, Laurent; Andrez, Julie; Mazzanti, Marinella; Meyer, Karsten","Uranium(iv) terminal hydrosulfido and sulfido complexes: insights into the nature of the uranium‒sulfur bond","Chem. Sci.","2016","7","9","5857","","10.1039/C6SC00677A","","","0.71073","MoKα","","0.0561","0.0434","","","0.0829","0.0867","","","","","","1.286","","","","has coordinates,has disorder","186330","2020-10-21","18:00:00",""
"1543283","14.9009","0.0019","14.9009","0.0019","19.249","0.003","90","","90","","120","","3701.4","0.9","100","2","100.15","","","","","","","","","7","P 63","P 6c","173","","","","- C78 H114 K N5 O9 S U -","- C78 H114 K N5 O9 S U -","- C156 H228 K2 N10 O18 S2 U2 -","2","0.333333","","Rosenzweig, Michael W.; Scheurer, Andreas; Lamsfus, Carlos A.; Heinemann, Frank W.; Maron, Laurent; Andrez, Julie; Mazzanti, Marinella; Meyer, Karsten","Uranium(iv) terminal hydrosulfido and sulfido complexes: insights into the nature of the uranium–sulfur bond","Chem. Sci.","2016","7","9","5857","","10.1039/C6SC00677A","","","0.71073","MoKα","","0.0687","0.0319","","","0.0561","0.0645","","","","","","1.028","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543284","13.2622","0.0007","15.3715","0.0006","20.3762","0.001","76.53","0.004","74.27","0.004","65.093","0.004","3592.7","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C51.5 H112 K2 O16 S Si4 U -","- C51.5 H112 K2 O16 S Si4 U -","- C103 H224 K4 O32 S2 Si8 U2 -","2","1","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.0637","0.0449","","","0.0785","0.0857","","","","","","1.017","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1543285","16.3304","0.0014","26.8","0.0019","18.8582","0.0015","90","","91.476","0.009","90","","8250.6","1.1","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C122 H256 K4 O38 S2 Si8 U2 -","- C122 H256 K4 O38 S2 Si8 U2 -","- C244 H512 K8 O76 S4 Si16 U4 -","2","0.5","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.1642","0.0778","","","0.1","0.1282","","","","","","0.931","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1543286","14.61","0.002","17.221","0.003","19.8684","0.0019","84.563","0.01","84.218","0.009","83.002","0.012","4919.1","1.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C72 H158 K2 N2 O22 S Si4 U -","- C72 H158 K2 N2 O22 S Si4 U -","- C144 H316 K4 N4 O44 S2 Si8 U2 -","2","1","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.1037","0.0677","","","0.1388","0.1574","","","","","","1.181","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1543287","27.6846","0.0008","17.5786","0.0004","14.8975","0.0004","90","","90","","90","","7250","0.3","150","2","150","2","","","","","","","","8","P 21 21 2","P 2 2ab","18","","","","- C90 H198 K4 N2 O30 S3 Si6 U2 -","- C90 H198 K4 N2 O30 S3 Si6 U2 -","- C180 H396 K8 N4 O60 S6 Si12 U4 -","2","0.5","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.1361","0.0752","","","0.1315","0.156","","","","","","1.021","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543288","28.669","0.003","13.985","0.002","28.721","0.004","90","","97.583","0.009","90","","11415","3","100","2","100","2","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C79 H170 K2 O24 S4.66 Si6 U2 -","- C79 H170 K2 O24 S4.651 Si6 U2 -","- C316 H680 K8 O96 S18.604 Si24 U8 -","4","1","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.1123","0.054","","","0.0946","0.1258","","","","","","1.146","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543289","13.8962","0.0005","24.5807","0.0016","26.1417","0.0014","90","","95.317","0.005","90","","8891","0.8","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C67 H141 K O22 S Si4 U -","- C67 H141 K O22 S Si4 U -","- C268 H564 K4 O88 S4 Si16 U4 -","4","1","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.0941","0.0674","","","0.1322","0.1462","","","","","","1.075","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543290","13.9735","0.0017","18.272","0.0011","22.168","0.003","90","","94.534","0.012","90","","5642.3","1.1","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C79 H170 K2 O24 S3 Si6 U2 -","- C79 H170 K2 O24 S3 Si6 U2 -","- C158 H340 K4 O48 S6 Si12 U4 -","2","1","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.0642","0.0463","","","0.1053","0.1327","","","","","","1.156","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1543291","19.2882","0.0005","19.378","0.0005","40.5378","0.0009","90","","90","","90","","15151.7","0.6","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55 H116 K2 O16 S2 Si4 U -","- C55 H116 K2 O16 S2 Si4 U -","- C440 H928 K16 O128 S16 Si32 U8 -","8","1","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.109","0.055","","","0.0976","0.1153","","","","","","1.082","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543292","14.1455","0.0008","18.059","0.0013","22.1126","0.0012","90","","92.218","0.005","90","","5644.5","0.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C79 H170 K2 O24 S4.36 Si6 U2 -","- C79 H170 K2 O24 S4.366 Si6 U2 -","- C158 H340 K4 O48 S8.732 Si12 U4 -","2","0.5","","Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella","Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands","Chem. Sci.","2016","7","9","5846","","10.1039/C6SC00675B","","","0.71073","MoKα","","0.0839","0.0475","","","0.0922","0.1055","","","","","","1.034","","","","has coordinates,has disorder","186333","2020-10-21","18:00:00",""
"1543293","9.8099","0.0003","20.1079","0.0005","13.9635","0.0004","90","","106.852","0.002","90","","2636.11","0.13","100","2","99.99","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H38 Cl Ir O3 P2 -","- C22 H38 Cl Ir O3 P2 -","- C88 H152 Cl4 Ir4 O12 P8 -","4","1","","Rimoldi, Martino; Nakamura, Akitake; Vermeulen, Nicolaas A.; Henkelis, James J.; Blackburn, Anthea K.; Hupp, Joseph T.; Stoddart, J. Fraser; Farha, Omar K.","A metal‒organic framework immobilised iridium pincer complex","Chem. Sci.","2016","7","8","4980","","10.1039/C6SC01376G","","","1.54178","CuKα","","0.0728","0.0711","","","0.1429","0.1437","","","","","","1.223","","","","has coordinates,has disorder","185152","2020-10-21","18:00:00",""
"1543294","8.794","0.004","13.276","0.006","13.314","0.005","93.189","0.008","90.359","0.008","100.071","0.011","1527.9","1.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Co Cr2 N8 O7 -","- C20 H16 Co Cr2 N8 O7 -","- C40 H32 Co2 Cr4 N16 O14 -","2","1","","Scott, Hayley S.; Ogiwara, Naoki; Chen, Kai-Jie; Madden, David G.; Pham, Tony; Forrest, Katherine; Space, Brian; Horike, Satoshi; Perry IV, John J.; Kitagawa, Susumu; Zaworotko, Michael J.","Crystal engineering of a family of hybrid ultramicroporous materials based upon interpenetration and dichromate linkers","Chem. Sci.","2016","7","8","5470","","10.1039/C6SC01385F","","","0.71073","MoKα","","0.1756","0.158","","","0.3935","0.403","","","","","","1.586","","","","has coordinates","185155","2020-10-21","18:00:00",""
"1543295","8.9931","0.0011","13.0017","0.0016","13.0138","0.0016","85.457","0.003","79.543","0.003","83.613","0.003","1484.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cr2 Cu N8 O7 -","- C20 H16 Cr2 Cu N8 O7 -","- C40 H32 Cr4 Cu2 N16 O14 -","2","1","","Scott, Hayley S.; Ogiwara, Naoki; Chen, Kai-Jie; Madden, David G.; Pham, Tony; Forrest, Katherine; Space, Brian; Horike, Satoshi; Perry IV, John J.; Kitagawa, Susumu; Zaworotko, Michael J.","Crystal engineering of a family of hybrid ultramicroporous materials based upon interpenetration and dichromate linkers","Chem. Sci.","2016","7","8","5470","","10.1039/C6SC01385F","","","0.71073","MoKα","","0.1107","0.0632","","","0.1243","0.1375","","","","","","1.018","","","","has coordinates","185155","2020-10-21","18:00:00",""
"1543296","8.7338","0.0017","13.153","0.003","13.155","0.003","86.75","0.03","84.55","0.03","80.39","0.03","1482","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cr2 N8 Ni O7 -","- C20 H16 Cr2 N8 Ni O7 -","- C40 H32 Cr4 N16 Ni2 O14 -","2","1","","Scott, Hayley S.; Ogiwara, Naoki; Chen, Kai-Jie; Madden, David G.; Pham, Tony; Forrest, Katherine; Space, Brian; Horike, Satoshi; Perry IV, John J.; Kitagawa, Susumu; Zaworotko, Michael J.","Crystal engineering of a family of hybrid ultramicroporous materials based upon interpenetration and dichromate linkers","Chem. Sci.","2016","7","8","5470","","10.1039/C6SC01385F","","","0.71073","MoKα","","0.0716","0.0612","","","0.1537","0.1614","","","","","","1.057","","","","has coordinates","185155","2020-10-21","18:00:00",""
"1543297","8.7822","0.0018","13.27","0.003","13.278","0.003","85.51","0.03","80.23","0.03","83.94","0.03","1513.6","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cr2 N8 O7 Zn -","- C20 H16 Cr2 N8 O7 Zn -","- C40 H32 Cr4 N16 O14 Zn2 -","2","1","","Scott, Hayley S.; Ogiwara, Naoki; Chen, Kai-Jie; Madden, David G.; Pham, Tony; Forrest, Katherine; Space, Brian; Horike, Satoshi; Perry IV, John J.; Kitagawa, Susumu; Zaworotko, Michael J.","Crystal engineering of a family of hybrid ultramicroporous materials based upon interpenetration and dichromate linkers","Chem. Sci.","2016","7","8","5470","","10.1039/C6SC01385F","","","0.71073","MoKα","","0.0471","0.0425","","","0.1086","0.1121","","","","","","1.06","","","","has coordinates","185155","2020-10-21","18:00:00",""
"1543298","12.8149","0.0004","13.6703","0.0004","14.6341","0.0004","109.69","0.003","90.728","0.002","112.29","0.003","2204.15","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H52 Cl3 Ga Ge N8 -","- C39 H52 Cl3 Ga Ge N8 -","- C78 H104 Cl6 Ga2 Ge2 N16 -","2","1","","Xiong, Yun; Yao, Shenglai; Karni, Miriam; Kostenko, Arseni; Burchert, Alexander; Apeloig, Yitzhak; Driess, Matthias","Heavier congeners of CO and CO2as ligands: from zero-valent germanium (‘germylone’) to isolable monomeric GeX and GeX2complexes (X = S, Se, Te)","Chem. Sci.","2016","7","8","5462","","10.1039/C6SC01839D","","","1.5418","CuKα","","0.0493","0.0458","","","0.1244","0.1268","","","","","","1.092","","","","has coordinates","185164","2020-10-21","18:00:00",""
"1543299","16.2434","0.0007","21.8215","0.0009","7.6828","0.0003","90","","110.197","0.004","90","","2555.76","0.19","150","2","150","2","","","","","","","","8","C 1 m 1","C -2y","8","","","","- C39 H56 Cl3 Ga Ge N4 O2 Se2 -","- C39 H56 Cl3 Ga Ge N4 O2 Se2 -","- C78 H112 Cl6 Ga2 Ge2 N8 O4 Se4 -","2","0.5","","Xiong, Yun; Yao, Shenglai; Karni, Miriam; Kostenko, Arseni; Burchert, Alexander; Apeloig, Yitzhak; Driess, Matthias","Heavier congeners of CO and CO2as ligands: from zero-valent germanium (‘germylone’) to isolable monomeric GeX and GeX2complexes (X = S, Se, Te)","Chem. Sci.","2016","7","8","5462","","10.1039/C6SC01839D","","","1.54184","CuKα","","0.0456","0.0443","","","0.1221","0.1245","","","","","","1.086","","","","has coordinates","185164","2020-10-21","18:00:00",""
"1543300","11.3788","0.0003","13.0772","0.0003","17.5125","0.0004","69.253","0.002","83.744","0.002","84.543","0.002","2417.94","0.11","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H64 Cl3 Ga Ge N4 O3 Te -","- C43 H64 Cl3 Ga Ge N4 O3 Te -","- C86 H128 Cl6 Ga2 Ge2 N8 O6 Te2 -","2","1","","Xiong, Yun; Yao, Shenglai; Karni, Miriam; Kostenko, Arseni; Burchert, Alexander; Apeloig, Yitzhak; Driess, Matthias","Heavier congeners of CO and CO2as ligands: from zero-valent germanium (‘germylone’) to isolable monomeric GeX and GeX2complexes (X = S, Se, Te)","Chem. Sci.","2016","7","8","5462","","10.1039/C6SC01839D","","","1.54184","CuKα","","0.0623","0.056","","","0.1475","0.1531","","","","","","1.086","","","","has coordinates,has disorder","185164","2020-10-21","18:00:00",""
"1543301","12.532","0.0001","18.8855","0.0001","16.0769","0.0001","90","","90.091","0.001","90","","3804.96","0.04","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H43 Cl3 Ga Ge N5 Se -","- C33 H43 Cl3 Ga Ge N5 Se -","- C132 H172 Cl12 Ga4 Ge4 N20 Se4 -","4","1","","Xiong, Yun; Yao, Shenglai; Karni, Miriam; Kostenko, Arseni; Burchert, Alexander; Apeloig, Yitzhak; Driess, Matthias","Heavier congeners of CO and CO2as ligands: from zero-valent germanium (‘germylone’) to isolable monomeric GeX and GeX2complexes (X = S, Se, Te)","Chem. Sci.","2016","7","8","5462","","10.1039/C6SC01839D","","","1.54184","CuKα","","0.0381","0.0373","","","0.0995","0.1002","","","","","","1.07","","","","has coordinates","185164","2020-10-21","18:00:00",""
"1543302","16.323","0.0002","21.5944","0.0003","7.6252","0.0001","90","","109.772","0.001","90","","2529.32","0.06","150","2","150","2","","","","","","","","8","C 1 m 1","C -2y","8","","","","- C39 H56 Cl3 Ga Ge N4 O2 S2 -","- C39 H56 Cl3 Ga Ge N4 O2 S2 -","- C78 H112 Cl6 Ga2 Ge2 N8 O4 S4 -","2","0.5","","Xiong, Yun; Yao, Shenglai; Karni, Miriam; Kostenko, Arseni; Burchert, Alexander; Apeloig, Yitzhak; Driess, Matthias","Heavier congeners of CO and CO2as ligands: from zero-valent germanium (‘germylone’) to isolable monomeric GeX and GeX2complexes (X = S, Se, Te)","Chem. Sci.","2016","7","8","5462","","10.1039/C6SC01839D","","","1.54184","CuKα","","0.0435","0.0423","","","0.1193","0.1207","","","","","","1.123","","","","has coordinates","185164","2020-10-21","18:00:00",""
"1543310","19.0396","0.0003","20.9444","0.0003","20.8471","0.0004","90","","93.561","0.002","90","","8297.2","0.2","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42.75 H27.5 Dy N12 Na O5.25 -","- C42.75 H27.5 Dy N12 Na O5.25 -","- C342 H220 Dy8 N96 Na8 O42 -","8","2","","Bi, Ye; Chen, Cheng; Zhao, Yi-Fang; Zhang, Yi-Quan; Jiang, Shang-Da; Wang, Bing-Wu; Han, Jun-Bo; Sun, Jun-Liang; Bian, Zu-Qiang; Wang, Zhe-Ming; Gao, Song","Thermostability and photoluminescence of Dy(iii) single-molecule magnets under a magnetic field","Chem. Sci.","2016","7","8","5020","","10.1039/C6SC01157H","","","0.71073","MoKα","","0.0677","0.0343","","","0.0692","0.0839","","","","","","1.046","","","","has coordinates,has disorder","282761","2023-04-20","06:45:56",""
"1543311","12.3164","0.0002","14.0599","0.0003","14.9899","0.0003","85.328","0.002","68.185","0.002","84.879","0.002","2396.98","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H40 Dy K N12 O7 -","- C47 H40 Dy K N12 O7 -","- C94 H80 Dy2 K2 N24 O14 -","2","1","","Bi, Ye; Chen, Cheng; Zhao, Yi-Fang; Zhang, Yi-Quan; Jiang, Shang-Da; Wang, Bing-Wu; Han, Jun-Bo; Sun, Jun-Liang; Bian, Zu-Qiang; Wang, Zhe-Ming; Gao, Song","Thermostability and photoluminescence of Dy(iii) single-molecule magnets under a magnetic field","Chem. Sci.","2016","7","8","5020","","10.1039/C6SC01157H","","","0.71073","MoKα","","0.034","0.0269","","","0.0575","0.0609","","","","","","1.05","","","","has coordinates,has disorder","185153","2020-10-21","18:00:00",""
"1543312","12.1604","0.0004","14.3443","0.0005","14.978","0.0004","83.549","0.003","68.8","0.003","83.086","0.003","2411.43","0.14","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H40 Dy N12 O7 Rb -","- C47 H40 Dy N12 O7 Rb -","- C94 H80 Dy2 N24 O14 Rb2 -","2","1","","Bi, Ye; Chen, Cheng; Zhao, Yi-Fang; Zhang, Yi-Quan; Jiang, Shang-Da; Wang, Bing-Wu; Han, Jun-Bo; Sun, Jun-Liang; Bian, Zu-Qiang; Wang, Zhe-Ming; Gao, Song","Thermostability and photoluminescence of Dy(iii) single-molecule magnets under a magnetic field","Chem. Sci.","2016","7","8","5020","","10.1039/C6SC01157H","","","0.71073","MoKα","","0.0483","0.0388","","","0.0933","0.1016","","","","","","1.042","","","","has coordinates,has disorder","185153","2020-10-21","18:00:00",""
"1543313","12.1005","0.0005","14.5976","0.0006","14.9807","0.0006","82.535","0.004","69.08","0.004","81.967","0.003","2438.3","0.18","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H40 Cs Dy N12 O7 -","- C47 H40 Cs Dy N12 O7 -","- C94 H80 Cs2 Dy2 N24 O14 -","2","1","","Bi, Ye; Chen, Cheng; Zhao, Yi-Fang; Zhang, Yi-Quan; Jiang, Shang-Da; Wang, Bing-Wu; Han, Jun-Bo; Sun, Jun-Liang; Bian, Zu-Qiang; Wang, Zhe-Ming; Gao, Song","Thermostability and photoluminescence of Dy(iii) single-molecule magnets under a magnetic field","Chem. Sci.","2016","7","8","5020","","10.1039/C6SC01157H","","","0.71073","MoKα","","0.0509","0.035","","","0.0817","0.0954","","","","","","0.994","","","","has coordinates,has disorder","185153","2020-10-21","18:00:00",""
"1543314","19.5421","0.0004","19.8322","0.0004","20.8863","0.0004","90","","97.266","0.002","90","","8029.8","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H49 Cs2 Dy2 N24 O8.5 -","- C80 H49 Cs2 Dy2 N24 O8.5 -","- C320 H196 Cs8 Dy8 N96 O34 -","4","1","","Bi, Ye; Chen, Cheng; Zhao, Yi-Fang; Zhang, Yi-Quan; Jiang, Shang-Da; Wang, Bing-Wu; Han, Jun-Bo; Sun, Jun-Liang; Bian, Zu-Qiang; Wang, Zhe-Ming; Gao, Song","Thermostability and photoluminescence of Dy(iii) single-molecule magnets under a magnetic field","Chem. Sci.","2016","7","8","5020","","10.1039/C6SC01157H","","","1.54178","CuKα","","0.0554","0.0426","","","0.1084","0.1177","","","","","","1.016","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543315","17.503","0.0017","10.588","0.001","36.844","0.003","90","","90","","90","","6828","1.1","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C38 H33 B Fe N6 O3 -","- C38 H33 B Fe N6 O3 -","- C304 H264 B8 Fe8 N48 O24 -","8","1","","Sheet, Debobrata; Paine, Tapan Kanti","Aerobic alcohol oxidation and oxygen atom transfer reactions catalyzed by a nonheme iron(ii)–α-keto acid complex","Chem. Sci.","2016","7","8","5322","","10.1039/C6SC01476C","","","0.71073","MoKα","","0.0709","0.0472","","","0.1405","0.1576","","","","","","1.045","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543316","12.6392","0.0006","12.6903","0.0006","16.0016","0.0007","67.251","0.001","75.265","0.001","79.591","0.001","2279.31","0.18","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H42 B Fe N8 O2 -","- C47 H42 B Fe N8 O2 -","- C94 H84 B2 Fe2 N16 O4 -","2","1","","Sheet, Debobrata; Paine, Tapan Kanti","Aerobic alcohol oxidation and oxygen atom transfer reactions catalyzed by a nonheme iron(ii)–α-keto acid complex","Chem. Sci.","2016","7","8","5322","","10.1039/C6SC01476C","","","0.71073","MoKα","","0.0438","0.0378","","","0.1167","0.1211","","","","","","1.11","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543321","12.1726","0.001","7.9214","0.0006","12.7226","0.001","90","","112.682","0.005","90","","1131.89","0.16","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C5 H14 B10 -","- C5 H14 B10 -","- C20 H56 B40 -","4","1","","Quan, Yangjian; Tang, Cen; Xie, Zuowei","Palladium catalyzed regioselective B‒C(sp) coupling via direct cage B‒H activation: synthesis of B(4)-alkynylated o-carboranes","Chem. Sci.","2016","7","9","5838","","10.1039/C6SC00901H","","","0.71073","MoKα","","0.1485","0.1194","","","0.398","0.4253","","","","","","1.679","","","","has coordinates","186329","2020-10-21","18:00:00",""
"1543322","6.818","0.0007","13.8572","0.0013","11.6193","0.0012","90","","91.186","0.007","90","","1097.54","0.19","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H26 B20 -","- C10 H26 B20 -","- C20 H52 B40 -","2","0.5","","Quan, Yangjian; Tang, Cen; Xie, Zuowei","Palladium catalyzed regioselective B‒C(sp) coupling via direct cage B‒H activation: synthesis of B(4)-alkynylated o-carboranes","Chem. Sci.","2016","7","9","5838","","10.1039/C6SC00901H","","","0.71073","MoKα","","0.1478","0.0838","","","0.2401","0.2737","","","","","","1.05","","","","has coordinates","186329","2020-10-21","18:00:00",""
"1543323","16.4051","0.0005","17.4587","0.0005","29.8313","0.0008","84.336","0.002","81.254","0.002","71.749","0.002","8008","0.4","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C96 H88 B8 Co4 Fe4 K N68 -","- C96 H88 B8 Co4 Fe4 K N68 -","- C192 H176 B16 Co8 Fe8 K2 N136 -","2","1","","Garnier, D.; Jiménez, J.-R.; Li, Y.; von Bardeleben, J.; Journaux, Y.; Augenstein, T.; Moos, E. M. B.; Gamer, M. T.; Breher, F.; Lescouëzec, R.","K⊂{[FeII(Tp)(CN)3]4[CoIII(pzTp)]3[CoII(pzTp)]}: a neutral soluble model complex of photomagnetic Prussian blue analogues","Chem. Sci.","2016","7","8","4825","","10.1039/C6SC01435F","","","0.71073","MoKα","","0.0868","0.0527","","","0.1132","0.1243","","","","","","0.86","","","","has coordinates,has disorder","185154","2020-10-21","18:00:00",""
"1543324","9.5254","0.0003","12.2658","0.0005","24.0109","0.0007","90","","90","","90","","2805.35","0.17","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H10 F10 S2 -","- C36 H10 F10 S2 -","- C144 H40 F40 S8 -","4","0.5","","Marshall, Jonathan L.; Uchida, Kazuyuki; Frederickson, Conerd K.; Schütt, Christian; Zeidell, Andrew M.; Goetz, Katelyn P.; Finn, Tristan W.; Jarolimek, Karol; Zakharov, Lev N.; Risko, Chad; Herges, Rainer; Jurchescu, Oana D.; Haley, Michael M.","Indacenodibenzothiophenes: synthesis, optoelectronic properties and materials applications of molecules with strong antiaromatic character","Chem. Sci.","2016","7","8","5547","","10.1039/C6SC00950F","","","1.54178","CuKα","","0.048","0.0385","","","0.1152","0.1244","","","","","","1.03","","","","has coordinates","185160","2020-10-21","18:00:00",""
"1543325","11.1062","0.0005","14.1291","0.0006","14.3389","0.0006","70.677","0.002","76.199","0.003","86.76","0.003","2061.4","0.16","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H10 F10 S2 -","- C36 H10 F10 S2 -","- C108 H30 F30 S6 -","3","1.5","","Marshall, Jonathan L.; Uchida, Kazuyuki; Frederickson, Conerd K.; Schütt, Christian; Zeidell, Andrew M.; Goetz, Katelyn P.; Finn, Tristan W.; Jarolimek, Karol; Zakharov, Lev N.; Risko, Chad; Herges, Rainer; Jurchescu, Oana D.; Haley, Michael M.","Indacenodibenzothiophenes: synthesis, optoelectronic properties and materials applications of molecules with strong antiaromatic character","Chem. Sci.","2016","7","8","5547","","10.1039/C6SC00950F","","","1.54178","CuKα","","0.0579","0.0467","","","0.117","0.1253","","","","","","1.044","","","","has coordinates","185160","2020-10-21","18:00:00",""
"1543326","13.7863","0.0011","37.373","0.003","7.098","0.0006","90","","100.313","0.005","90","","3598.1","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44.5 H36.5 Cl1.5 S2 -","- C44.5 H36.5 Cl1.5 S2 -","- C178 H146 Cl6 S8 -","4","1","","Marshall, Jonathan L.; Uchida, Kazuyuki; Frederickson, Conerd K.; Schütt, Christian; Zeidell, Andrew M.; Goetz, Katelyn P.; Finn, Tristan W.; Jarolimek, Karol; Zakharov, Lev N.; Risko, Chad; Herges, Rainer; Jurchescu, Oana D.; Haley, Michael M.","Indacenodibenzothiophenes: synthesis, optoelectronic properties and materials applications of molecules with strong antiaromatic character","Chem. Sci.","2016","7","8","5547","","10.1039/C6SC00950F","","","1.54178","CuKα","","0.1126","0.0737","","","0.1903","0.2203","","","","","","1.031","","","","has coordinates,has disorder","185160","2020-10-21","18:00:00",""
"1543327","8.041","0.003","11.32","0.004","12.549","0.005","106.204","0.011","106.976","0.009","99.176","0.011","1012.3","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H52 S2 Si2 -","- C46 H52 S2 Si2 -","- C46 H52 S2 Si2 -","1","0.5","","Marshall, Jonathan L.; Uchida, Kazuyuki; Frederickson, Conerd K.; Schütt, Christian; Zeidell, Andrew M.; Goetz, Katelyn P.; Finn, Tristan W.; Jarolimek, Karol; Zakharov, Lev N.; Risko, Chad; Herges, Rainer; Jurchescu, Oana D.; Haley, Michael M.","Indacenodibenzothiophenes: synthesis, optoelectronic properties and materials applications of molecules with strong antiaromatic character","Chem. Sci.","2016","7","8","5547","","10.1039/C6SC00950F","","","0.71073","MoKα","","0.1488","0.0667","","","0.1233","0.146","","","","","","0.985","","","","has coordinates","185160","2020-10-21","18:00:00",""
"1543328","17.5664","0.0003","17.5664","0.0003","44.8654","0.0011","90","","90","","90","","13844.5","0.5","150","2","150","2","","","","","","","","4","I 41/a","-I 4ad","88","","2,3-bis(5-octylthiophen-2-yl)-5,8-di(thiophen-2-yl)quinoxaline","","- C40 H46 N2 S4 -","- C40 H46 N2 S4 -","- C640 H736 N32 S64 -","16","","","Caffy, F.; Delbosc, N.; Chávez, P.; Lévêque, P.; Faure-Vincent, J.; Travers, J.-P.; Djurado, D.; Pécaut, J.; Grévin, B.; Lemaitre, N.; Leclerc, N.; Demadrille, R.","Synthesis, optoelectronic properties and photovoltaic performances of wide band-gap copolymers based on dibenzosilole and quinoxaline units, rivals to P3HT","Polym. Chem.","2016","7","25","4160","","10.1039/C6PY00370B","","","0.71073","MoKα","","0.1014","0.0556","","","0.1151","0.1373","","","","","","1.032","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1543329","9.0551","0.0006","10.0299","0.0007","22.0044","0.0012","91.596","0.005","97.865","0.005","105.823","0.006","1900.2","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","2,2'-(2,3-bis(5-octylthiophen-2-yl)quinoxaline-5,8-diyl)bis(5-bromothiazole)","","- C38 H42 Br2 N4 S4 -","- C38 H42 Br2 N4 S4 -","- C76 H84 Br4 N8 S8 -","2","1","","Caffy, F.; Delbosc, N.; Chávez, P.; Lévêque, P.; Faure-Vincent, J.; Travers, J.-P.; Djurado, D.; Pécaut, J.; Grévin, B.; Lemaitre, N.; Leclerc, N.; Demadrille, R.","Synthesis, optoelectronic properties and photovoltaic performances of wide band-gap copolymers based on dibenzosilole and quinoxaline units, rivals to P3HT","Polym. Chem.","2016","7","25","4160","","10.1039/C6PY00370B","","","0.71073","MoKα","","0.2292","0.087","","","0.1758","0.2507","","","","","","0.999","","","","has coordinates,has disorder","301779","2025-08-18","16:06:46",""
"1543330","16.7687","0.0011","18.2589","0.0012","20.607","0.0012","112.675","0.006","100.139","0.005","92.575","0.005","5686.5","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","5,8-bis(5-bromothiophen-2-yl)-6,7-difluoro-2,3-bis(5-octylthiophen-2-yl)quinoxaline","","- C40 H42 Br2 F2 N2 S4 -","- C40 H42 Br2 F2 N2 S4 -","- C240 H252 Br12 F12 N12 S24 -","6","3","","Caffy, F.; Delbosc, N.; Chávez, P.; Lévêque, P.; Faure-Vincent, J.; Travers, J.-P.; Djurado, D.; Pécaut, J.; Grévin, B.; Lemaitre, N.; Leclerc, N.; Demadrille, R.","Synthesis, optoelectronic properties and photovoltaic performances of wide band-gap copolymers based on dibenzosilole and quinoxaline units, rivals to P3HT","Polym. Chem.","2016","7","25","4160","","10.1039/C6PY00370B","","","0.71073","MoKα","","0.1857","0.0742","","","0.1218","0.1659","","","","","","0.973","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543334","13.2027","0.0005","11.5719","0.0005","18.2672","0.0008","90","","96.299","0.002","90","","2774","0.2","100","2","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C64 H66 O12 -","- C64 H66 O12 -","- C128 H132 O24 -","2","1","","Morcillo, Sara P.; Miguel, Delia; Álvarez de Cienfuegos, Luis; Justicia, José; Abbate, Sergio; Castiglioni, Ettore; Bour, Christophe; Ribagorda, María; Cárdenas, Diego J.; Paredes, José Manuel; Crovetto, Luis; Choquesillo-Lazarte, Duane; Mota, Antonio J.; Carreño, M. Carmen; Longhi, Giovanna; Cuerva, Juan M.","Stapled helical o-OPE foldamers as new circularly polarized luminescence emitters based on carbophilic interactions with Ag(i)-sensitivity","Chem. Sci.","2016","7","9","5663","","10.1039/C6SC01808D","","","1.54178","CuKα","","0.0412","0.0358","","","0.0873","0.0915","","","","","","1.055","","","","has coordinates","186339","2020-10-21","18:00:00",""
"1543340","20.437","0.009","16.874","0.008","7.416","0.004","90","","96.712","0.008","90","","2540","2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H30 Cl N O Si -","- C28 H30 Cl N O Si -","- C112 H120 Cl4 N4 O4 Si4 -","4","1","","Zhang, Xingjie; Xie, Xin; Liu, Yuanhong","Nickel-catalyzed cyclization of alkyne-nitriles with organoboronic acids involving anti-carbometalation of alkynes","Chem. Sci.","2016","7","9","5815","","10.1039/C6SC01191H","","","0.71073","MoKα","","0.1712","0.1143","","","0.2462","0.276","","","","","","1.133","","","","has coordinates","301779","2025-08-18","16:06:46",""
"1543341","16.297","0.006","17.312","0.007","10.642","0.005","90","","90","","90","","3002","2","130","","130","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H43 N2 Ni O2 -","- C32 H43 N2 Ni O2 -","- C128 H172 N8 Ni4 O8 -","4","0.5","","Zhang, Xingjie; Xie, Xin; Liu, Yuanhong","Nickel-catalyzed cyclization of alkyne-nitriles with organoboronic acids involving anti-carbometalation of alkynes","Chem. Sci.","2016","7","9","5815","","10.1039/C6SC01191H","","","0.71073","MoKα","","0.1034","0.0679","","","0.1853","0.2274","","","","","","1.018","","","","has coordinates,has disorder","186342","2020-10-21","18:00:00",""
"1543353","19.9984","0.0008","22.3102","0.0009","22.5607","0.0009","90","","90","","90","","10065.9","0.7","110","2","110","2","","","","","","","","5","I 2 2 2","I 2 2","23","","T2","","- C120 H204 N84 O47.5 Pd12 -","- C120 H204 N84 O47.4 Pd12 -","- C240 H408 N168 O94.8 Pd24 -","2","0.25","","Howlader, Prodip; Mukherjee, Partha Sarathi","Face and edge directed self-assembly of Pd12tetrahedral nano-cages and their self-sorting","Chem. Sci.","2016","7","9","5893","","10.1039/C6SC02012G","","","0.71073","MoKα","","0.047","0.0433","","","0.1124","0.1144","","","","","","1.066","","","","has coordinates","186328","2020-10-21","18:00:00",""
"1543354","18.5319","0.0014","22.2301","0.0018","28.691","0.002","90","","95.243","0.002","90","","11770.3","1.5","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H108 N42 O22 Pd6 -","- C60 H108 N42 O22 Pd6 -","- C240 H432 N168 O88 Pd24 -","4","1","","Howlader, Prodip; Mukherjee, Partha Sarathi","Face and edge directed self-assembly of Pd12tetrahedral nano-cages and their self-sorting","Chem. Sci.","2016","7","9","5893","","10.1039/C6SC02012G","","","0.71073","MoKα","","0.087","0.0788","","","0.2335","0.2452","","","","","","0.998","","","","has coordinates","186328","2020-10-21","18:00:00",""
"1543355","30.6898","0.0018","24.2224","0.0015","33.083","0.002","90","","96.418","0.002","90","","24439","3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","T1","","- C120 H208 N78 O52 Pd12 -","- C120 H208 N78 O52 Pd12 -","- C480 H832 N312 O208 Pd48 -","4","0.5","","Howlader, Prodip; Mukherjee, Partha Sarathi","Face and edge directed self-assembly of Pd12tetrahedral nano-cages and their self-sorting","Chem. Sci.","2016","7","9","5893","","10.1039/C6SC02012G","","","0.71073","MoKα","","0.1259","0.0804","","","0.2155","0.25","","","","","","0.783","","","","has coordinates","186328","2020-10-21","18:00:00",""
"1543372","9.1567","0.0003","10.4987","0.0003","16.4783","0.0004","74.597","0.002","82.414","0.002","81.243","0.002","1502.43","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H20 S2 Si5 -","- C4.57143 H13.1429 S0.571429 Si2 -","- C32 H92 S4 Si14 -","7","3.5","","Li, Haixing; Garner, Marc H.; Shangguan, Zhichun; Zheng, Qianwen; Su, Timothy A.; Neupane, Madhav; Li, Panpan; Velian, Alexandra; Steigerwald, Michael L.; Xiao, Shengxiong; Nuckolls, Colin; Solomon, Gemma C.; Venkataraman, Latha","Conformations of cyclopentasilane stereoisomers control molecular junction conductance","Chem. Sci.","2016","7","9","5657","","10.1039/C6SC01360K","","","1.54184","CuKα","","0.0986","0.0781","","","0.1947","0.227","","","","","","1.729","","","","has coordinates,has disorder","186332","2020-10-21","18:00:00",""
"1543379","14.0554","0.0002","8.4226","0.0001","26.8488","0.0003","90","","121.048","0.001","90","","2723.08","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 B2 Fe N9 -","- C29 H25 B2 Fe N9 -","- C116 H100 B8 Fe4 N36 -","4","1","","Spasyuk, Denis M.; Carpenter, Stephanie H.; Kefalidis, Christos E.; Piers, Warren E.; Neidig, Michael L.; Maron, Laurent","Facile hydrogen atom transfer to iron(III) imido radical complexes supported by a dianionic pentadentate ligand","Chemical Science","2016","7","9","5939","5944","10.1039/c6sc01433j","","","1.54178","CuKα","","0.0355","0.0315","","","0.0802","0.0831","","","","","","1.041","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543380","8.669","0.0004","12.5893","0.0006","17.1783","0.0007","88.37","0.002","78.459","0.002","73.105","0.003","1756.71","0.14","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H41 B2 Fe N9 O2 -","- C37 H41 B2 Fe N9 O2 -","- C74 H82 B4 Fe2 N18 O4 -","2","1","","Spasyuk, Denis M.; Carpenter, Stephanie H.; Kefalidis, Christos E.; Piers, Warren E.; Neidig, Michael L.; Maron, Laurent","Facile hydrogen atom transfer to iron(III) imido radical complexes supported by a dianionic pentadentate ligand","Chemical Science","2016","7","9","5939","5944","10.1039/c6sc01433j","","","1.54178","CuKα","","0.0416","0.0372","","","0.0967","0.0995","","","","","","1.067","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543381","16.6523","0.0003","10.1363","0.0002","29.6556","0.0006","90","","90","","90","","5005.65","0.17","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C45 H47 B2 Fe N10 -","- C45 H47 B2 Fe N10 -","- C180 H188 B8 Fe4 N40 -","4","0.5","","Spasyuk, Denis M.; Carpenter, Stephanie H.; Kefalidis, Christos E.; Piers, Warren E.; Neidig, Michael L.; Maron, Laurent","Facile hydrogen atom transfer to iron(III) imido radical complexes supported by a dianionic pentadentate ligand","Chemical Science","2016","7","9","5939","5944","10.1039/c6sc01433j","","","1.54178","CuKα","","0.0465","0.0436","","","0.1158","0.1176","","","","","","1.04","","","","has coordinates,has disorder","301779","2025-08-18","16:06:47",""
"1543382","25.518","0.004","9.9742","0.0014","13.8788","0.0019","90","","90","","90","","3532.5","0.9","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C39 H39 B2 Fe N10 -","- C39 H39 B2 Fe N10 -","- C156 H156 B8 Fe4 N40 -","4","0.5","","Spasyuk, Denis M.; Carpenter, Stephanie H.; Kefalidis, Christos E.; Piers, Warren E.; Neidig, Michael L.; Maron, Laurent","Facile hydrogen atom transfer to iron(III) imido radical complexes supported by a dianionic pentadentate ligand","Chemical Science","2016","7","9","5939","5944","10.1039/c6sc01433j","","","1.54178","CuKα","","0.0686","0.0482","","","0.1218","0.1329","","","","","","1.028","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543383","13.5661","0.0012","16.623","0.0014","19.6115","0.0017","68.407","0.003","83.226","0.003","68.207","0.003","3817.4","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H69 B4 Fe2 N19 O2 S -","- C74 H69 B4 Fe2 N19 O2 S -","- C148 H138 B8 Fe4 N38 O4 S2 -","2","1","","Spasyuk, Denis M.; Carpenter, Stephanie H.; Kefalidis, Christos E.; Piers, Warren E.; Neidig, Michael L.; Maron, Laurent","Facile hydrogen atom transfer to iron(III) imido radical complexes supported by a dianionic pentadentate ligand","Chemical Science","2016","7","9","5939","5944","10.1039/c6sc01433j","","","1.54178","CuKα","","0.1121","0.0769","","","0.1918","0.2093","","","","","","0.963","","","","has coordinates,has disorder","301779","2025-08-18","16:06:47",""
"1543384","18.1814","0.0016","21.881","0.003","16.8907","0.0014","90","","102.199","0.006","90","","6567.8","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","B2Pz4Py","","- C58 H52 B4 Li2 N18 -","- C58 H52 B4 Li2 N18 -","- C232 H208 B16 Li8 N72 -","4","0.5","","Spasyuk, Denis M.; Carpenter, Stephanie H.; Kefalidis, Christos E.; Piers, Warren E.; Neidig, Michael L.; Maron, Laurent","Facile hydrogen atom transfer to iron(III) imido radical complexes supported by a dianionic pentadentate ligand","Chemical Science","2016","7","9","5939","5944","10.1039/c6sc01433j","","","1.54178","CuKα","","0.0722","0.0513","","","0.1341","0.1453","","","","","","0.967","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543385","9.7337","0.0005","9.8376","0.0008","10.2179","0.0009","65.706","0.008","76.457","0.006","64.524","0.007","803.12","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","alsnphbr","LHBrAlMe3","","- C16 H17 Al Br N S -","- C16 H17 Al Br N S -","- C32 H34 Al2 Br2 N2 S2 -","2","1","","Huang, Yen-Tzu; Wang, Wei-Chu; Hsu, Chun-Pin; Lu, Wei-Yi; Chuang, Wan-Jung; Chiang, Michael Y.; Lai, Yi-Chun; Chen, Hsuan-Ying","The ring-opening polymerization of ε-caprolactone andl-lactide using aluminum complexes bearing benzothiazole ligands as catalysts","Polym. Chem.","2016","7","26","4367","","10.1039/C6PY00569A","","","0.71073","MoKα","","0.0518","0.0385","","","0.0846","0.0908","","","","","","1.023","","","","has coordinates","185677","2020-10-21","18:00:00",""
"1543386","8.4807","0.0005","10.2653","0.0005","11.1798","0.0007","63.422","0.006","72.126","0.006","72.803","0.005","813.96","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","alnsphme","LHMeALMe3","","- C17 H20 Al N S -","- C17 H20 Al N S -","- C34 H40 Al2 N2 S2 -","2","1","","Huang, Yen-Tzu; Wang, Wei-Chu; Hsu, Chun-Pin; Lu, Wei-Yi; Chuang, Wan-Jung; Chiang, Michael Y.; Lai, Yi-Chun; Chen, Hsuan-Ying","The ring-opening polymerization of ε-caprolactone andl-lactide using aluminum complexes bearing benzothiazole ligands as catalysts","Polym. Chem.","2016","7","26","4367","","10.1039/C6PY00569A","","","0.71073","MoKα","","0.0546","0.0437","","","0.1169","0.1238","","","","","","1.038","","","","has coordinates","185677","2020-10-21","18:00:00",""
"1543387","9.7682","0.0005","12.6868","0.0005","16.3518","0.0009","90","","101.613","0.002","90","","1984.95","0.17","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 N S2 -","- C11 H7 N S2 -","- C88 H56 N8 S16 -","8","2","","Huang, Yen-Tzu; Wang, Wei-Chu; Hsu, Chun-Pin; Lu, Wei-Yi; Chuang, Wan-Jung; Chiang, Michael Y.; Lai, Yi-Chun; Chen, Hsuan-Ying","The ring-opening polymerization of ε-caprolactone andl-lactide using aluminum complexes bearing benzothiazole ligands as catalysts","Polym. Chem.","2016","7","26","4367","","10.1039/C6PY00569A","","","0.71073","MoKα","","0.1113","0.0981","","","0.2818","0.3022","","","","","","1.005","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543388","8.2963","0.0003","9.2804","0.0004","10.392","0.0004","87.69","0.002","84.941","0.002","71.092","0.002","753.93","0.05","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Al N S2 -","- C14 H16 Al N S2 -","- C28 H32 Al2 N2 S4 -","2","1","","Huang, Yen-Tzu; Wang, Wei-Chu; Hsu, Chun-Pin; Lu, Wei-Yi; Chuang, Wan-Jung; Chiang, Michael Y.; Lai, Yi-Chun; Chen, Hsuan-Ying","The ring-opening polymerization of ε-caprolactone andl-lactide using aluminum complexes bearing benzothiazole ligands as catalysts","Polym. Chem.","2016","7","26","4367","","10.1039/C6PY00569A","","","0.71073","MoKα","","0.0507","0.0458","","","0.1376","0.1495","","","","","","1.131","","","","has coordinates","185677","2020-10-21","18:00:00",""
"1543391","10.13364","0.00019","14.6711","0.0002","19.7677","0.0004","90","","90","","90","","2938.9","0.09","99.99","0.1","99.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H29 B N2 O2 -","- C40 H29 B N2 O2 -","- C160 H116 B4 N8 O8 -","4","1","","Roose, Jesse; Leung, Anakin Chun Sing; Wang, Jia; Peng, Qian; Sung, Herman H.-Y.; Williams, Ian Duncan; Tang, Ben Zhong","A colour-tunable chiral AIEgen: reversible coordination, enantiomer discrimination and morphology visualization","Chem. Sci.","2016","7","9","6106","","10.1039/C6SC01614F","","x-ray","1.54184","CuKα","","0.0404","0.033","","","0.0791","0.0824","","","","","","1.002","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543426","24.9817","0.0018","11.9639","0.0009","26.6933","0.0019","90","","95.7654","0.0013","90","","7937.7","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H48 B Mn N7 O0.5 -","- C44 H48 B Mn N7 O0.5 -","- C352 H384 B8 Mn8 N56 O4 -","8","2","","Ding, Mei; Cutsail, 3rd, George E; Aravena, Daniel; Amoza, Martín; Rouzières, Mathieu; Dechambenoit, Pierre; Losovyj, Yaroslav; Pink, Maren; Ruiz, Eliseo; Clérac, Rodolphe; Smith, Jeremy M.","A Low Spin Manganese(IV) Nitride Single Molecule Magnet.","Chemical science","2016","7","9","6132","6140","10.1039/C6SC01469K","","","0.41328","synchrotron","","0.1176","0.0646","","","0.1611","0.1935","","","","","","1.096","","","","has coordinates","188065","2020-10-21","18:00:00",""
"1543427","19.4894","0.001","16.2426","0.0009","49.107","0.003","90","","90.164","0.003","90","","15545.2","1.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H44 B Cl Mn N6 -","- C42 H44 B Cl Mn N6 -","- C672 H704 B16 Cl16 Mn16 N96 -","16","2","","Ding, Mei; Cutsail, 3rd, George E; Aravena, Daniel; Amoza, Martín; Rouzières, Mathieu; Dechambenoit, Pierre; Losovyj, Yaroslav; Pink, Maren; Ruiz, Eliseo; Clérac, Rodolphe; Smith, Jeremy M.","A Low Spin Manganese(IV) Nitride Single Molecule Magnet.","Chemical science","2016","7","9","6132","6140","10.1039/C6SC01469K","","","0.71073","MoKα","","0.1088","0.0581","","","0.1295","0.1548","","","","","","1.035","","","","has coordinates","188065","2020-10-21","18:00:00",""
"1543428","6.8957","0.0003","18.2571","0.0008","26.4728","0.0013","90","","91.3638","0.0019","90","","3331.9","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 N2 O3 S -","- C38 H36 N2 O3 S -","- C152 H144 N8 O12 S4 -","4","1","","Yadagiri, Dongari; Reddy, Angula Chandra Shekar; Anbarasan, Pazhamalai","Rhodium catalyzed diastereoselective synthesis of 2,2,3,3-tetrasubstituted indolines from N-sulfonyl-1,2,3-triazoles and ortho-vinylanilines","Chem. Sci.","2016","7","9","5934","","10.1039/C6SC01075J","","x-ray","0.71073","MoKα","","0.1049","0.0642","","","0.1774","0.2138","","","","","","1.063","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543429","8.5621","0.0003","12.1149","0.0004","25.0836","0.001","90","","99.7094","0.0014","90","","2564.63","0.16","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N2 O2 S -","- C30 H28 N2 O2 S -","- C120 H112 N8 O8 S4 -","4","1","","Yadagiri, Dongari; Reddy, Angula Chandra Shekar; Anbarasan, Pazhamalai","Rhodium catalyzed diastereoselective synthesis of 2,2,3,3-tetrasubstituted indolines from N-sulfonyl-1,2,3-triazoles and ortho-vinylanilines","Chem. Sci.","2016","7","9","5934","","10.1039/C6SC01075J","","x-ray","0.71073","MoKα","","0.0562","0.0398","","","0.0961","0.1069","","","","","","1.016","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543430","9.9852","0.0004","10.521","0.0005","22.3329","0.0009","90","","97.84","0.003","90","","2324.24","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H14 B10 O2 -","- C4 H14 B10 O2 -","- C32 H112 B80 O16 -","8","2","","Zhao, Da; Xie, Zuowei","[3-N2-o-C2B10H11][BF4]: a useful synthon for multiple cage boron functionalizations of o-carborane","Chem. Sci.","2016","7","9","5635","","10.1039/C6SC01566B","","","0.71073","MoKα","","0.2063","0.1094","","","0.2933","0.3778","","","","","","1.035","","","","has coordinates,has disorder","186340","2020-10-21","18:00:00",""
"1543431","9.8848","0.001","9.8277","0.001","20.924","0.002","90","","90","","90","","2032.7","0.4","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H11 B10 N O2 -","- C2 H9 B10 N O2 -","- C16 H72 B80 N8 O16 -","8","1","","Zhao, Da; Xie, Zuowei","[3-N2-o-C2B10H11][BF4]: a useful synthon for multiple cage boron functionalizations of o-carborane","Chem. Sci.","2016","7","9","5635","","10.1039/C6SC01566B","","","0.71073","MoKα","","0.0981","0.0696","","","0.1837","0.214","","","","","","1.041","","","","has coordinates","186340","2020-10-21","18:00:00",""
"1543432","18.9522","0.0004","12.8653","0.0002","33.3636","0.001","90","","96.738","0.002","90","","8078.7","0.3","291","2","291.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H17 N3 O3 S -","- C21 H17 N3 O3 S -","- C336 H272 N48 O48 S16 -","16","4","","Zhu, Bo; Qiu, Shuai; Li, Jiangtao; Coote, Michelle L.; Lee, Richmond; Jiang, Zhiyong","Asymmetric [4 + 2] annulation of 5H-thiazol-4-ones with a chiral dipeptide-based Brønsted base catalyst","Chem. Sci.","2016","7","9","6060","","10.1039/C6SC02039A","","","1.54184","CuKα","","0.0673","0.0536","","","0.1371","0.1486","","","","","","1.069","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543433","11.2983","0.0004","40.617","0.002","11.3731","0.0004","90","","112.949","0.004","90","","4806.1","0.4","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H19 F3 N2 O3 S -","- C25 H19 F3 N2 O3 S -","- C200 H152 F24 N16 O24 S8 -","8","4","","Zhu, Bo; Qiu, Shuai; Li, Jiangtao; Coote, Michelle L.; Lee, Richmond; Jiang, Zhiyong","Asymmetric [4 + 2] annulation of 5H-thiazol-4-ones with a chiral dipeptide-based Brønsted base catalyst","Chem. Sci.","2016","7","9","6060","","10.1039/C6SC02039A","","","1.54184","CuKα","","0.092","0.0784","","","0.2049","0.2157","","","","","","1.065","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543434","9.6612","0.0002","14.6195","0.0003","20.0326","0.0005","90","","90","","90","","2829.44","0.11","293","2","293.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H26 Br N3 O4 S -","- C32 H26 Br N3 O4 S -","- C128 H104 Br4 N12 O16 S4 -","4","1","","Zhu, Bo; Qiu, Shuai; Li, Jiangtao; Coote, Michelle L.; Lee, Richmond; Jiang, Zhiyong","Asymmetric [4 + 2] annulation of 5H-thiazol-4-ones with a chiral dipeptide-based Brønsted base catalyst","Chem. Sci.","2016","7","9","6060","","10.1039/C6SC02039A","","","1.54184","CuKα","","0.0464","0.0395","","","0.0951","0.1017","","","","","","1.041","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543435","13.9587","0.0012","3.8076","0.0003","14.2557","0.0012","90","","111.997","0.003","90","","702.52","0.1","100","2","100","2","","","","","","","","3","P 1 c 1","P -2yc","7","","diketone","","- C22 H12 O2 -","- C22 H12 O2 -","- C44 H24 O4 -","2","1","","Yang, Xuejin; Shi, Xueliang; Aratani, Naoki; Gonçalves, Théo P.; Huang, Kuo-Wei; Yamada, Hiroko; Chi, Chunyan; Miao, Qian","Benzo[4,5]cyclohepta[1,2-b]fluorene: an isomeric motif for pentacene containing linearly fused five-, six- and seven-membered rings","Chem. Sci.","2016","7","9","6176","","10.1039/C6SC01795A","","","0.71073","MoKα","","0.0453","0.0369","","","0.0853","0.0895","","","","","","1.036","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543436","20.925","0.002","8.4456","0.001","34.677","0.004","90","","91.177","0.003","90","","6127","1.2","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C42 H37 N -","- C42 H37 N -","- C336 H296 N8 -","8","2","","Yang, Xuejin; Shi, Xueliang; Aratani, Naoki; Gonçalves, Théo P.; Huang, Kuo-Wei; Yamada, Hiroko; Chi, Chunyan; Miao, Qian","Benzo[4,5]cyclohepta[1,2-b]fluorene: an isomeric motif for pentacene containing linearly fused five-, six- and seven-membered rings","Chem. Sci.","2016","7","9","6176","","10.1039/C6SC01795A","","","0.71073","MoKα","","0.1248","0.0652","","","0.1536","0.1851","","","","","","1.03","","","","has coordinates,has disorder","301779","2025-08-18","16:06:47",""
"1543439","19.469","0.003","12.2196","0.0016","16.391","0.002","90","","102.099","0.003","90","","3812.9","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H46 N2 O3 Pd -","- C47 H46 N2 O3 Pd -","- C188 H184 N8 O12 Pd4 -","4","1","","Chow, Pui-Keong; Cheng, Gang; Tong, Glenna So Ming; Ma, Chensheng; Kwok, Wai-Ming; Ang, Wai-Hung; Chung, Clive Yik-Sham; Yang, Chen; Wang, Feng; Che, Chi-Ming","Highly luminescent palladium(ii) complexes with sub-millisecond blue to green phosphorescent excited states. Photocatalysis and highly efficient PSF-OLEDs","Chem. Sci.","2016","7","9","6083","","10.1039/C6SC00462H","","","1.54178","CuKα","","0.0323","0.0323","","","0.0884","0.0885","","","","","","1.043","","","","has coordinates","186325","2020-10-21","18:00:00",""
"1543440","15.2388","0.0013","14.5866","0.0013","15.9868","0.0014","90","","106.442","0.0018","90","","3408.3","0.5","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H36 F2 N2 O Pd -","- C43 H36 F2 N2 O Pd -","- C172 H144 F8 N8 O4 Pd4 -","4","1","","Chow, Pui-Keong; Cheng, Gang; Tong, Glenna So Ming; Ma, Chensheng; Kwok, Wai-Ming; Ang, Wai-Hung; Chung, Clive Yik-Sham; Yang, Chen; Wang, Feng; Che, Chi-Ming","Highly luminescent palladium(ii) complexes with sub-millisecond blue to green phosphorescent excited states. Photocatalysis and highly efficient PSF-OLEDs","Chem. Sci.","2016","7","9","6083","","10.1039/C6SC00462H","","","1.54178","CuKα","","0.0384","0.0379","","","0.1013","0.1019","","","","","","1.038","","","","has coordinates,has disorder","186325","2020-10-21","18:00:00",""
"1543441","10.9741","0.0004","21.744","0.0008","15.245","0.0011","90","","96.681","0.007","90","","3613.1","0.3","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","mini-15021","","","- C40 H56 Fe N2 O -","- C40 H56 Fe N2 O -","- C160 H224 Fe4 N8 O4 -","4","1","","MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Stepwise N–H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia","Chem. Sci.","2016","7","9","5736","","10.1039/C6SC00423G","","","0.71075","MoKα","","0.1016","0.0697","","","0.1171","0.1268","","","","","","1.151","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543442","25.7232","0.0018","12.6083","0.0004","38.521","0.004","90","","92.547","0.009","90","","12481","1.6","93","2","93","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","007-14177","","","- C69 H89 Fe3 N8 -","- C69 H89 Fe3 N8 -","- C552 H712 Fe24 N64 -","8","1","","MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Stepwise N‒H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia","Chem. Sci.","2016","7","9","5736","","10.1039/C6SC00423G","","","1.54187","CuKα","","0.113","0.0756","","","0.1807","0.218","","","","","","0.975","","","","has coordinates,has disorder","186326","2020-10-21","18:00:00",""
"1543443","26.1506","0.0018","12.4838","0.0002","39.818","0.004","90","","90.725","0.009","90","","12997.9","1.6","93","2","93","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","spider-14106","","","- C71 H95 Fe3 N8 -","- C71 H95 Fe3 N8 -","- C568 H760 Fe24 N64 -","8","1","","MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Stepwise N‒H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia","Chem. Sci.","2016","7","9","5736","","10.1039/C6SC00423G","","","0.71075","MoKα","","0.0675","0.0483","","","0.1121","0.1216","","","","","","1.044","","","","has coordinates","186326","2020-10-21","18:00:00",""
"1543444","11.6617","0.0004","12.8275","0.0004","17.826","0.003","110.292","0.007","99.483","0.008","103.94","0.007","2335.4","0.5","93","2","93","2","","","","","","","","4","P -1","-P 1","2","spider-14080","","","- C51 H66 Fe2 N6 -","- C51 H66 Fe2 N6 -","- C102 H132 Fe4 N12 -","2","1","","MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Stepwise N–H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia","Chem. Sci.","2016","7","9","5736","","10.1039/C6SC00423G","","","0.71075","MoKα","","0.0425","0.0349","","","0.0883","0.0924","","","","","","1.05","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543445","12.7872","0.0008","12.8768","0.0008","14.4731","0.0009","77.782","0.001","84.648","0.001","82.055","0.001","2301.7","0.2","100","0.5","100","0.5","","","","","","","","5","P -1","-P 1","2","holkg01","","","- C48 H66 Fe2 N4 O3 -","- C48 H66 Fe2 N4 O3 -","- C96 H132 Fe4 N8 O6 -","2","1","","MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Stepwise N–H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia","Chem. Sci.","2016","7","9","5736","","10.1039/C6SC00423G","","","0.71073","MoKα","","0.1124","0.0534","","","0.1037","0.125","","","","","","1.009","","","","has coordinates,has disorder","301779","2025-08-18","16:06:47",""
"1543446","10.8292","0.0017","12.1016","0.0019","12.4355","0.0019","104.019","0.007","113.332","0.008","108.094","0.008","1291.9","0.4","93","2","93","2","","","","","","","","4","P -1","-P 1","2","mini-14047","","","- C60 H64 Fe2 N4 -","- C60 H64 Fe2 N4 -","- C60 H64 Fe2 N4 -","1","0.5","","MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Stepwise N–H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia","Chem. Sci.","2016","7","9","5736","","10.1039/C6SC00423G","","","0.71075","MoKα","","0.094","0.0734","","","0.168","0.1794","","","","","","1.171","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543447","8.1716","0.0002","18.2611","0.0003","17.0223","0.0012","90","","99.181","0.007","90","","2507.6","0.2","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","spider-14140","","","- C31 H34 Fe N2 -","- C31 H34 Fe N2 -","- C124 H136 Fe4 N8 -","4","1","","MacLeod, K. Cory; McWilliams, Sean F.; Mercado, Brandon Q.; Holland, Patrick L.","Stepwise N‒H bond formation from N2-derived iron nitride, imide and amide intermediates to ammonia","Chem. Sci.","2016","7","9","5736","","10.1039/C6SC00423G","","","0.71075","MoKα","","0.0434","0.0376","","","0.0923","0.0956","","","","","","1.089","","","","has coordinates,has disorder","186326","2020-10-21","18:00:00",""
"1543464","18.5357","0.0005","20.6392","0.001","14.1552","0.0007","90","","90","","90","","5415.2","0.4","198","2","198","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C59 H52 B4 Cl2 N4 O8 S2 -","- C59 H52 B4 Cl2 N4 O8 S2 -","- C236 H208 B16 Cl8 N16 O32 S8 -","4","0.5","","Ito, Suguru; Ono, Kosuke; Johmoto, Kohei; Uekusa, Hidehiro; Iwasawa, Nobuharu","Switching of the solid-state guest selectivity: solvent-dependent selective guest inclusion in a crystalline macrocyclic boronic ester","Chem. Sci.","2016","7","9","5765","","10.1039/C5SC04766H","","","1.54186","CuKα","","0.0965","0.0691","","","0.1682","0.219","","","","","","1.142","","","","has coordinates,has disorder","301779","2025-08-18","16:06:47",""
"1543465","13.734","0.0006","14.1169","0.0005","20.8001","0.0007","90","","122.833","0.002","90","","3388.5","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H52 B4 Cl12 N4 O8 S2 -","- C58 H52 B4 Cl12 N4 O8 S2 -","- C116 H104 B8 Cl24 N8 O16 S4 -","2","0.5","","Ito, Suguru; Ono, Kosuke; Johmoto, Kohei; Uekusa, Hidehiro; Iwasawa, Nobuharu","Switching of the solid-state guest selectivity: solvent-dependent selective guest inclusion in a crystalline macrocyclic boronic ester","Chem. Sci.","2016","7","9","5765","","10.1039/C5SC04766H","","","1.54186","CuKα","","0.063","0.0518","","","0.127","0.1371","","","","","","1.149","","","","has coordinates,has disorder","301779","2025-08-18","16:06:47",""
"1543466","10.54186","0.00019","12.9408","0.0002","14.3073","0.0003","69.8702","0.0007","73.699","0.0007","79.771","0.0007","1751.79","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H54 B4 Cl12 N4 O8 S2 -","- C62 H54 B4 Cl12.06 N4 O8 S2 -","- C62 H54 B4 Cl12.06 N4 O8 S2 -","1","0.5","","Ito, Suguru; Ono, Kosuke; Johmoto, Kohei; Uekusa, Hidehiro; Iwasawa, Nobuharu","Switching of the solid-state guest selectivity: solvent-dependent selective guest inclusion in a crystalline macrocyclic boronic ester","Chem. Sci.","2016","7","9","5765","","10.1039/C5SC04766H","","","1.54186","CuKα","","0.0769","0.0514","","","0.1284","0.1637","","","","","","1.12","","","","has coordinates,has disorder","186335","2020-10-21","18:00:00",""
"1543467","13.7207","0.0003","14.0837","0.0003","20.4986","0.0003","90","","122.84","0.001","90","","3328.08","0.12","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H45 B4 Cl15 N4 O8 S2 -","- C49 H45 B4 Cl15 N4 O8 S2 -","- C98 H90 B8 Cl30 N8 O16 S4 -","2","0.5","","Ito, Suguru; Ono, Kosuke; Johmoto, Kohei; Uekusa, Hidehiro; Iwasawa, Nobuharu","Switching of the solid-state guest selectivity: solvent-dependent selective guest inclusion in a crystalline macrocyclic boronic ester","Chem. Sci.","2016","7","9","5765","","10.1039/C5SC04766H","","","1.54186","CuKα","","0.0536","0.0481","","","0.1183","0.1233","","","","","","1.077","","","","has coordinates,has disorder","301779","2025-08-18","16:06:47",""
"1543468","13.6699","0.0007","14.0308","0.0009","20.6325","0.0009","90","","122.572","0.003","90","","3334.9","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H50 B4 Cl12 N4 O8 S3 -","- C56 H50 B4 Cl12 N4 O8 S3 -","- C112 H100 B8 Cl24 N8 O16 S6 -","2","0.5","","Ito, Suguru; Ono, Kosuke; Johmoto, Kohei; Uekusa, Hidehiro; Iwasawa, Nobuharu","Switching of the solid-state guest selectivity: solvent-dependent selective guest inclusion in a crystalline macrocyclic boronic ester","Chem. Sci.","2016","7","9","5765","","10.1039/C5SC04766H","","","0.71075","MoKα","","0.0704","0.0503","","","0.1339","0.1473","","","","","","1.047","","","","has coordinates,has disorder","301779","2025-08-18","16:06:47",""
"1543469","13.6823","0.0012","14.0543","0.0013","20.5851","0.0014","90","","122.711","0.004","90","","3330.6","0.5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C56 H50 B4 Cl12 N4 O9 S2 -","- C56 H50 B4 Cl12 N4 O9 S2 -","- C112 H100 B8 Cl24 N8 O18 S4 -","2","0.5","","Ito, Suguru; Ono, Kosuke; Johmoto, Kohei; Uekusa, Hidehiro; Iwasawa, Nobuharu","Switching of the solid-state guest selectivity: solvent-dependent selective guest inclusion in a crystalline macrocyclic boronic ester","Chem. Sci.","2016","7","9","5765","","10.1039/C5SC04766H","","","0.71075","MoKα","","0.0614","0.0502","","","0.1366","0.1455","","","","","","1.05","","","","has coordinates,has disorder","301779","2025-08-18","16:06:47",""
"1543470","13.6829","0.001","14.0362","0.001","20.6735","0.0011","90","","122.667","0.003","90","","3342.4","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H51 B4 Cl12 N5 O8 S2 -","- C57 H51 B4 Cl12 N5 O8 S2 -","- C114 H102 B8 Cl24 N10 O16 S4 -","2","0.5","","Ito, Suguru; Ono, Kosuke; Johmoto, Kohei; Uekusa, Hidehiro; Iwasawa, Nobuharu","Switching of the solid-state guest selectivity: solvent-dependent selective guest inclusion in a crystalline macrocyclic boronic ester","Chem. Sci.","2016","7","9","5765","","10.1039/C5SC04766H","","","0.71075","MoKα","","0.0668","0.0563","","","0.1492","0.1576","","","","","","1.052","","","","has coordinates,has disorder","301779","2025-08-18","16:06:47",""
"1543487","10.5","0.008","7.818","0.006","16.997","0.013","90","","103.529","0.009","90","","1356.6","1.8","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Co(Tpm)2","","","- C20 H20 Cl2 Co N12 O8 -","- C20 H20 Cl2 Co N12 O8 -","- C40 H40 Cl4 Co2 N24 O16 -","2","0.5","","Zhang, Yuan-Zhu; Gómez-Coca, Silvia; Brown, Andrew J.; Saber, Mohamed R.; Zhang, Xuan; Dunbar, Kim R.","Trigonal antiprismatic Co(ii) single molecule magnets with large uniaxial anisotropies: importance of Raman and tunneling mechanisms","Chem. Sci.","2016","7","10","6519","","10.1039/C6SC02035F","","","0.71073","MoKα","","0.0746","0.0602","","","0.1635","0.176","","","","","","1.078","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543488","9.7482","0.0008","17.1636","0.0014","18.9136","0.0016","90","","98.5041","0.0009","90","","3129.7","0.4","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Co(Tpm)2(BPh4)2","","","- C72 H66 B2 Co N14 -","- C72 H66 B2 Co N14 -","- C144 H132 B4 Co2 N28 -","2","0.5","","Zhang, Yuan-Zhu; Gómez-Coca, Silvia; Brown, Andrew J.; Saber, Mohamed R.; Zhang, Xuan; Dunbar, Kim R.","Trigonal antiprismatic Co(ii) single molecule magnets with large uniaxial anisotropies: importance of Raman and tunneling mechanisms","Chem. Sci.","2016","7","10","6519","","10.1039/C6SC02035F","","","0.71073","MoKα","","0.0383","0.0323","","","0.0762","0.0796","","","","","","1.039","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543489","7.1039","0.0005","8.2133","0.0006","17.348","0.0012","102.227","0.006","90.177","0.006","90.407","0.006","989.2","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 O3 P2 -","- C21 H22 O3 P2 -","- C42 H44 O6 P4 -","2","1","","Heift, Dominikus; Benkő, Zoltán; Suter, Riccardo; Verel, René; Grützmacher, Hansjörg","The reactivity of acyl chlorides towards sodium phosphaethynolate, Na(OCP): a mechanistic case study","Chem. Sci.","2016","7","9","6125","","10.1039/C6SC01269H","","x-ray","0.71073","MoKα","","0.0539","0.0476","","","0.128","0.1319","","","","","","1.105","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543490","9.4422","0.0004","10.657","0.0004","24.5794","0.001","90","","100.252","0.0007","90","","2433.83","0.17","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","124-thiodiphospholide","sodium(1-thio-2,4-diphosphol-5-mesitoyl-3-olate)","","- C38 H62 Na2 O10 P4 S2 -","- C37.9936 H61.984 Na2 O9.9968 P4 S2 -","- C75.9872 H123.968 Na4 O19.9936 P8 S4 -","2","0.5","","Heift, Dominikus; Benkő, Zoltán; Suter, Riccardo; Verel, René; Grützmacher, Hansjörg","The reactivity of acyl chlorides towards sodium phosphaethynolate, Na(OCP): a mechanistic case study","Chem. Sci.","2016","7","9","6125","","10.1039/C6SC01269H","","x-ray","0.71073","MoKα","","0.0612","0.0501","","","0.1225","0.131","","","","","","1.065","","","","has coordinates,has disorder","186338","2020-10-21","18:00:00",""
"1543491","7.1716","0.0004","8.4029","0.0007","17.181","0.002","80.076","0.009","88.792","0.008","86.067","0.006","1017.43","0.16","100","","100","","","","","","","","","5","P -1","-P 1","2","","1-thio-2,4-diphospholo-5-mesityl-3-mesitoylester","","- C21 H22 O2 P2 S -","- C21 H22 O2 P2 S -","- C42 H44 O4 P4 S2 -","2","1","","Heift, Dominikus; Benkő, Zoltán; Suter, Riccardo; Verel, René; Grützmacher, Hansjörg","The reactivity of acyl chlorides towards sodium phosphaethynolate, Na(OCP): a mechanistic case study","Chem. Sci.","2016","7","9","6125","","10.1039/C6SC01269H","","x-ray","0.71073","MoKα","","0.0929","0.0547","","","0.1027","0.1102","","","","","","0.898","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543493","24.4","0.001","14.864","0.001","17.233","0.001","90","","108.543","0.003","90","","5925.6","0.6","100","","100","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C194 H92 Cl4 Li2 N8 Ni2 -","- C193.996 H91.9936 Cl3.992 Li2 N8 Ni2 -","- C387.992 H183.987 Cl7.984 Li4 N16 Ni4 -","2","0.5","","Ueno, Hiroshi; Aoyagi, Shinobu; Yamazaki, Yu; Ohkubo, Kei; Ikuma, Naohiko; Okada, Hiroshi; Kato, Tatsuhisa; Matsuo, Yutaka; Fukuzumi, Shunichi; Kokubo, Ken","Electrochemical reduction of cationic Li+@C60to neutral Li+@C60˙−: isolation and characterisation of endohedral [60]fulleride","Chem. Sci.","2016","7","9","5770","","10.1039/C6SC01209D","","","0.41286","synchrotron","","0.0624","0.0611","","","0.155","0.1569","","","","","","0.964","","","","has coordinates","186337","2020-10-21","18:00:00",""
"1543494","24.505","0.001","14.95","0.002","17.435","0.001","90","","108.799","0.003","90","","6046.6","0.9","250","","250","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C194 H92 Cl4 Li2 N8 Ni2 -","- C193.996 H91.9968 Cl3.992 Li2 N8 Ni2 -","- C387.992 H183.994 Cl7.984 Li4 N16 Ni4 -","2","0.25","","Ueno, Hiroshi; Aoyagi, Shinobu; Yamazaki, Yu; Ohkubo, Kei; Ikuma, Naohiko; Okada, Hiroshi; Kato, Tatsuhisa; Matsuo, Yutaka; Fukuzumi, Shunichi; Kokubo, Ken","Electrochemical reduction of cationic Li+@C60to neutral Li+@C60˙−: isolation and characterisation of endohedral [60]fulleride","Chem. Sci.","2016","7","9","5770","","10.1039/C6SC01209D","","","0.41286","synchrotron","","0.0644","0.063","","","0.1484","0.1501","","","","","","0.854","","","","has coordinates","186337","2020-10-21","18:00:00",""
"1543497","10.8375","0.0004","9.941","0.0003","11.3983","0.0004","90","","101.181","0.004","90","","1204.69","0.07","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","dimethyl 2-((4-tert-butyl-5-morpholinooxazol-2-yl)(phenyl)methyl)malonate","","- C23 H30 N2 O6 -","- C23 H29 N2 O6 -","- C46 H58 N4 O12 -","2","1","","Luo, Weiwei; Yuan, Xiao; Lin, Lili; Zhou, Pengfei; Liu, Xiaohua; Feng, Xiaoming","A N,N′-dioxide/Mg(OTf)2complex catalyzed enantioselective α-addition of isocyanides to alkylidene malonates","Chem. Sci.","2016","7","7","4736","","10.1039/C6SC00689B","","x-ray","1.54184","CuKα","","0.0762","0.0735","","","0.1906","0.1967","","","","","","1.051","","","","has coordinates","185124","2020-10-21","18:00:00",""
"1543512","25.72","0.002","7.5763","0.0007","7.2135","0.0007","90","","92.727","0.003","90","","1404","0.2","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H5 F5 I N3 -","- C14 H5 F5 I N3 -","- C56 H20 F20 I4 N12 -","4","1","","Maugeri, Leonardo; Asencio-Hernández, Julia; Lébl, Tomáš; Cordes, David B.; Slawin, Alexandra M. Z.; Delsuc, Marc-André; Philp, Douglas","Neutral iodotriazoles as scaffolds for stable halogen-bonded assemblies in solution","Chem. Sci.","2016","7","10","6422","","10.1039/C6SC01974A","","","0.71075","MoKα","","","0.017","","","","0.0495","","","","","","1.084","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543513","40.169","0.006","11.394","0.0013","9.9435","0.0012","90","","95.318","0.003","90","","4531.4","1","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 F5 I N3 -","- C22 H21 F5 I N3 -","- C176 H168 F40 I8 N24 -","8","1","","Maugeri, Leonardo; Asencio-Hernández, Julia; Lébl, Tomáš; Cordes, David B.; Slawin, Alexandra M. Z.; Delsuc, Marc-André; Philp, Douglas","Neutral iodotriazoles as scaffolds for stable halogen-bonded assemblies in solution","Chem. Sci.","2016","7","10","6422","","10.1039/C6SC01974A","","","0.71075","MoKα","","0.0403","0.0372","","","0.1093","0.115","","","","","","1.069","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543514","10.646","0.006","11.018","0.006","12.134","0.005","93.081","0.007","96.436","0.012","113.187","0.011","1292.6","1.2","93","","93","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H25 F4 I N4 O -","- C27 H25 F4 I N4 O -","- C54 H50 F8 I2 N8 O2 -","2","1","","Maugeri, Leonardo; Asencio-Hernández, Julia; Lébl, Tomáš; Cordes, David B.; Slawin, Alexandra M. Z.; Delsuc, Marc-André; Philp, Douglas","Neutral iodotriazoles as scaffolds for stable halogen-bonded assemblies in solution","Chem. Sci.","2016","7","10","6422","","10.1039/C6SC01974A","","","0.71075","MoKα","","0.0402","0.0381","","","0.0926","0.0983","","","","","","0.917","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543515","7.1624","0.0011","7.4352","0.0013","33.215","0.005","90","","90","","90","","1768.8","0.5","173","","173","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H10 F4 I N3 -","- C20 H10 F4 I N3 -","- C80 H40 F16 I4 N12 -","4","1","","Maugeri, Leonardo; Asencio-Hernández, Julia; Lébl, Tomáš; Cordes, David B.; Slawin, Alexandra M. Z.; Delsuc, Marc-André; Philp, Douglas","Neutral iodotriazoles as scaffolds for stable halogen-bonded assemblies in solution","Chem. Sci.","2016","7","10","6422","","10.1039/C6SC01974A","","","0.71075","MoKα","","0.0234","0.0219","","","0.0517","0.052","","","","","","1.011","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543516","11.9881","0.0006","17.8532","0.0007","12.4745","0.0007","90","","109.769","0.006","90","","2512.5","0.2","102","2","102","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H72 N4 Ni2 Zn4 -","- C42 H72 N4 Ni2 Zn4 -","- C84 H144 N8 Ni4 Zn8 -","2","0.5","","Freitag, Kerstin; Molon, Mariusz; Jerabek, Paul; Dilchert, Katharina; Rösler, Christoph; Seidel, Rüdiger W.; Gemel, Christian; Frenking, Gernot; Fischer, Roland A.","Zn⋯Zn interactions at nickel and palladium centers","Chem. Sci.","2016","7","10","6413","","10.1039/C6SC02106A","","","1.54184","CuKα","","0.0523","0.0371","","","0.093","0.1054","","","","","","1.056","","","","has coordinates","187022","2020-10-21","18:00:00",""
"1543517","9.2494","0.0004","10.0833","0.0004","15.9728","0.0006","100.172","0.003","92.322","0.003","109.339","0.004","1375.66","0.1","107","2","107","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H45 Ni P3 Zn2 -","- C20 H45 Ni P3 Zn2 -","- C40 H90 Ni2 P6 Zn4 -","2","1","","Freitag, Kerstin; Molon, Mariusz; Jerabek, Paul; Dilchert, Katharina; Rösler, Christoph; Seidel, Rüdiger W.; Gemel, Christian; Frenking, Gernot; Fischer, Roland A.","Zn⋯Zn interactions at nickel and palladium centers","Chem. Sci.","2016","7","10","6413","","10.1039/C6SC02106A","","","0.71073","MoKα","","0.0407","0.0348","","","0.0897","0.0961","","","","","","1.051","","","","has coordinates","187022","2020-10-21","18:00:00",""
"1543518","11.824","0.0009","17.8591","0.001","16.3145","0.0009","90","","92.362","0.005","90","","3442.1","0.4","104","2","104","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H54 Ni P2 Zn4 -","- C28 H54 Ni P2 Zn4 -","- C112 H216 Ni4 P8 Zn16 -","4","1","","Freitag, Kerstin; Molon, Mariusz; Jerabek, Paul; Dilchert, Katharina; Rösler, Christoph; Seidel, Rüdiger W.; Gemel, Christian; Frenking, Gernot; Fischer, Roland A.","Zn⋯Zn interactions at nickel and palladium centers","Chem. Sci.","2016","7","10","6413","","10.1039/C6SC02106A","","","0.71073","MoKα","","0.0671","0.037","","","0.0935","0.0977","","","","","","0.94","","","","has coordinates","187022","2020-10-21","18:00:00",""
"1543519","12.2816","0.0003","13.0205","0.0004","29.8246","0.0008","100.247","0.002","97.965","0.002","90.646","0.002","4644.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H150 P2 Pd3 Zn6 -","- C97.007 H150.008 P2 Pd3 Zn6 -","- C194.014 H300.016 P4 Pd6 Zn12 -","2","1","","Freitag, Kerstin; Molon, Mariusz; Jerabek, Paul; Dilchert, Katharina; Rösler, Christoph; Seidel, Rüdiger W.; Gemel, Christian; Frenking, Gernot; Fischer, Roland A.","Zn⋯Zn interactions at nickel and palladium centers","Chem. Sci.","2016","7","10","6413","","10.1039/C6SC02106A","","","1.54184","CuKα","","0.0472","0.0349","","","0.0841","0.091","","","","","","1.02","","","","has coordinates,has disorder","187022","2020-10-21","18:00:00",""
"1543520","25.6662","0.0006","25.5792","0.0006","35.0042","0.0008","90","","90","","90","","22981","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C57 H86 N2 Pd Zn4 -","- C57 H86 N2 Pd Zn4 -","- C912 H1376 N32 Pd16 Zn64 -","16","2","","Freitag, Kerstin; Molon, Mariusz; Jerabek, Paul; Dilchert, Katharina; Rösler, Christoph; Seidel, Rüdiger W.; Gemel, Christian; Frenking, Gernot; Fischer, Roland A.","Zn⋯Zn interactions at nickel and palladium centers","Chem. Sci.","2016","7","10","6413","","10.1039/C6SC02106A","","","0.71073","MoKα","","0.127","0.0585","","","0.1308","0.1725","","","","","","1.086","","","","has coordinates,has disorder","301779","2025-08-18","16:06:47",""
"1543528","9.7713","0.0007","9.5154","0.0007","11.5372","0.0009","90","","113.738","0.004","90","","981.95","0.13","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 N2 O3 -","- C8 H14 N2 O3 -","- C32 H56 N8 O12 -","4","1","","Leiske, Meike N.; Hartlieb, Matthias; Sobotta, Fabian H.; Paulus, Renzo M.; Görls, Helmar; Bellstedt, Peter; Schubert, Ulrich S.","Cationic ring-opening polymerization of protected oxazolidine imines resulting in gradient copolymers of poly(2-oxazoline) and poly(urea)","Polym. Chem.","2016","7","30","4924","","10.1039/C6PY00785F","","","0.71073","MoKα","","0.0802","0.0682","","","0.1284","0.132","","","","","","1.307","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543553","7.9301","0.0002","11.6306","0.0003","25.2568","0.0005","90","","90","","90","","2329.48","0.1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 O5 -","- C26 H36 O5 -","- C104 H144 O20 -","4","1","","Qi, Changxing; Bao, Jian; Wang, Jianping; Zhu, Hucheng; Xue, Yongbo; Wang, Xiaochuan; Li, Hua; Sun, Weiguang; Gao, Weixi; Lai, Yongji; Chen, Jian-Guo; Zhang, Yonghui","Asperterpenes A and B, two unprecedented meroterpenoids from Aspergillus terreus with BACE1 inhibitory activities","Chem. Sci.","2016","7","10","6563","","10.1039/C6SC02464E","","","1.54178","CuKα","","0.0345","0.0341","","","0.0985","0.0989","","","","","","1.083","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543554","15.9092","0.0004","18.9397","0.0005","8.0829","0.0002","90","","90","","90","","2435.5","0.11","298","2","298","2","","","","","","","","3","P 21 21 2","P 2 2ab","18","","","","- C26.5 H36 O7.5 -","- C26.5 H36 O7.5 -","- C106 H144 O30 -","4","1","","Qi, Changxing; Bao, Jian; Wang, Jianping; Zhu, Hucheng; Xue, Yongbo; Wang, Xiaochuan; Li, Hua; Sun, Weiguang; Gao, Weixi; Lai, Yongji; Chen, Jian-Guo; Zhang, Yonghui","Asperterpenes A and B, two unprecedented meroterpenoids from Aspergillus terreus with BACE1 inhibitory activities","Chem. Sci.","2016","7","10","6563","","10.1039/C6SC02464E","","","1.54178","CuKα","","0.0411","0.0407","","","0.1136","0.114","","","","","","1.046","","","","has coordinates,has disorder","301779","2025-08-18","16:06:47",""
"1543568","17.4037","0.0017","14.1343","0.0013","20.914","0.002","90","","111.783","0.0015","90","","4777.3","0.8","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H40 Al2 F72 N2 O8 -","- C78 H40 Al2 F72 N2 O8 -","- C156 H80 Al4 F144 N4 O16 -","2","0.5","","Su, Yuanting; Wang, Xingyong; Wang, Lei; Zhang, Zaichao; Wang, Xinping; Song, You; Power, Philip P.","Thermally controlling the singlet‒triplet energy gap of a diradical in the solid state","Chem. Sci.","2016","7","10","6514","","10.1039/C6SC01825D","","","0.71073","MoKα","","0.1298","0.0905","","","0.2169","0.2438","","","","","","1.052","","","","has coordinates,has disorder","187024","2020-10-21","18:00:00",""
"1543569","17.262","0.003","13.956","0.002","20.301","0.003","90","","109.105","0.003","90","","4621.3","1.2","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H40 Al2 F72 N2 O8 -","- C78 H40 Al2 F72 N2 O8 -","- C156 H80 Al4 F144 N4 O16 -","2","0.5","","Su, Yuanting; Wang, Xingyong; Wang, Lei; Zhang, Zaichao; Wang, Xinping; Song, You; Power, Philip P.","Thermally controlling the singlet‒triplet energy gap of a diradical in the solid state","Chem. Sci.","2016","7","10","6514","","10.1039/C6SC01825D","","","0.71073","MoKα","","0.0691","0.0489","","","0.1394","0.1581","","","","","","1.061","","","","has coordinates,has disorder","187024","2020-10-21","18:00:00",""
"1543577","10.0629","0.0004","10.0629","0.0004","28.901","0.003","90","","90","","90","","2926.6","0.3","296","2","296","2","","","","","","","","5","P 41","P 4w","76","","","","- C33 H35 Fe N P2 -","- C33 H35 Fe N P2 -","- C132 H140 Fe4 N4 P8 -","4","1","","Chen, Caiyou; Wang, Heng; Zhang, Zhefan; Jin, Shicheng; Wen, Songwei; Ji, Jianjian; Chung, Lung Wa; Dong, Xiu-Qin; Zhang, Xumu","Ferrocenyl chiral bisphosphorus ligands for highly enantioselective asymmetric hydrogenation via noncovalent ion pair interaction","Chem. Sci.","2016","7","11","6669","","10.1039/C6SC01845A","","","0.71073","MoKα","","0.0589","0.042","","","0.0948","0.1043","","","","","","1.024","","","","has coordinates","188060","2020-10-21","18:00:00",""
"1543600","9.6686","0.0001","35.1961","0.0004","15.4447","0.0002","90","","100.103","0.0012","90","","5174.29","0.11","100","","100","","","","","","","","synthesis","6","P 1 21/n 1","-P 2yn","14","","24","","- C23 H27 I N4 O5 S2 -","- C23 H27 I N4 O5 S2 -","- C184 H216 I8 N32 O40 S16 -","8","2","","Peacock, Hayden; Luo, Jinghui; Yamashita, Tohru; Luccarelli, James; Thompson, Sam; Hamilton, Andrew D.","Non-covalent S⋯O interactions control conformation in a scaffold that disrupts islet amyloid polypeptide fibrillation","Chem. Sci.","2016","7","10","6435","","10.1039/C6SC00756B","","","0.6889","Synchrotron","","0.0525","0.0372","","0.0763","0.066","0.0763","","","","","","0.9203","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543631","15.7112","0.0006","15.4073","0.001","21.2986","0.0012","90","","90","","90","","5155.7","0.5","193","2","193","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C38 H26 -","- C38 H26 -","- C304 H208 -","8","1","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.086","0.0398","","","0.0794","0.0978","","","","","","1.031","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543632","22.5254","0.0005","17.7308","0.0004","24.2495","0.0005","90","","98.636","0.001","90","","9575.3","0.4","223","2","223","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C70 H46 -","- C70 H46 -","- C560 H368 -","8","1","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.1016","0.0417","","","0.0836","0.112","","","","","","1.028","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543633","16.2638","0.0011","21.1086","0.0015","14.1182","0.001","90","","115.136","0.002","90","","4387.9","0.5","296","2","296","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C54 H36 -","- C54 H36 -","- C216 H144 -","4","0.5","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.078","0.0525","","","0.1543","0.1701","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543634","16.4358","0.001","19.7791","0.0012","10.5249","0.0006","90","","107.835","0.0006","90","","3257.1","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 F2 -","- C22 H14 F2 -","- C176 H112 F16 -","8","2","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.0704","0.0433","","","0.0981","0.1156","","","","","","1.012","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543635","15.7303","0.0014","15.2924","0.0017","23.248","0.003","90","","90","","90","","5592.4","1.1","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C38 H22 F4 -","- C38 H22 F4 -","- C304 H176 F32 -","8","1","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.1003","0.0403","","","0.0837","0.1097","","","","","","1.002","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543636","21.8211","0.0007","19.2793","0.0006","19.7602","0.0008","90","","90","","90","","8313","0.5","296","2","296","2","","","","","","","","3","I b a 2","I 2 -2c","45","","","","- C54 H30 F6 -","- C54 H30 F6 -","- C432 H240 F48 -","8","1","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.0557","0.0326","","","0.067","0.0743","","","","","","0.983","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543637","11.1751","0.0004","12.6389","0.0005","19.118","0.0007","83.981","0.002","85.728","0.002","64.491","0.002","2422.29","0.16","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C64 H34 F8 -","- C64 H34 F8 -","- C128 H68 F16 -","2","1","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.1096","0.0613","","","0.1925","0.2147","","","","","","1.035","","","","has coordinates,has disorder","301779","2025-08-18","16:06:47",""
"1543638","22.2731","0.0011","22.2731","0.0011","7.127","0.0006","90","","90","","90","","3535.6","0.4","223","2","223","2","","","","","","","","3","P 4 c c","P 4 -2c","103","","","","- C22 H14 Cl2 -","- C22 H14 Cl2 -","- C176 H112 Cl16 -","8","1","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.0718","0.0454","","","0.111","0.1247","","","","","","0.997","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543639","20.7464","0.0008","13.0281","0.0005","24.8595","0.0011","90","","107.709","0.002","90","","6400.8","0.5","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C38.5 H22.5 Cl5.5 -","- C38.5 H22.5 Cl5.5 -","- C308 H180 Cl44 -","8","2","","Lehnherr, Dan; Chen, Chen; Pedramrazi, Zahra; DeBlase, Catherine R.; Alzola, Joaquin M.; Keresztes, Ivan; Lobkovsky, Emil B.; Crommie, Michael F.; Dichtel, William R.","Sequence-defined oligo(ortho-arylene) foldamers derived from the benzannulation of ortho(arylene ethynylene)s","Chem. Sci.","2016","7","10","6357","","10.1039/C6SC02520J","","","0.71073","MoKα","","0.0966","0.0533","","","0.1286","0.155","","","","","","1","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543643","11.31","0.0002","10.2958","0.0002","17.6004","0.0003","90","","95.49","0.001","90","","2040.09","0.06","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H56 Cl4 La2 O12 -","- C24 H56 Cl4 La2 O12 -","- C48 H112 Cl8 La4 O24 -","2","0.5","","Banger, Kulbinder; Warwick, Christopher; Lang, Jiang; Broch, Katharina; Halpert, Jonathan E.; Socratous, Josephine; Brown, Adam; Leedham, Timothy; Sirringhaus, Henning","Identification of dipole disorder in low temperature solution processed oxides: its utility and suppression for transparent high performance solution-processed hybrid electronics","Chem. Sci.","2016","7","10","6337","","10.1039/C6SC01962E","","","0.71073","MoKα","","0.0467","0.0259","","","0.0548","0.0564","","","","","","0.963","","","","has coordinates","187026","2020-10-21","18:00:00",""
"1543644","10.364","0.002","19.222","0.004","15.466","0.004","90","","103.941","0.003","90","","2990.3","1.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H Cl7 F15 O2 Sb -","- C25 H Cl7 F15 O2 Sb -","- C100 H4 Cl28 F60 O8 Sb4 -","4","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.0357","0.0266","","","0.0583","0.064","","","","","","1.047","","","","has coordinates","188063","2020-10-21","18:00:00",""
"1543645","10.0997","0.0006","17.0938","0.0011","22.0155","0.0014","69.649","0.002","78.072","0.002","89.884","0.002","3476.5","0.4","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C30.25 H15.5 Cl4.5 F15 O3 P Sb -","- C30.25 H15.5 Cl4.5 F15 O3 P Sb -","- C121 H62 Cl18 F60 O12 P4 Sb4 -","4","2","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.05","0.0409","","","0.0992","0.1047","","","","","","1.092","","","","has coordinates,has disorder","301779","2025-08-18","16:06:47",""
"1543646","17.7168","0.001","11.1989","0.0007","20.8571","0.0012","90","","105.423","0.003","90","","3989.2","0.4","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H29 Cl4 F15 O3 P Sb -","- C37 H29 Cl4 F15 O3 P Sb -","- C148 H116 Cl16 F60 O12 P4 Sb4 -","4","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.0516","0.0328","","","0.0635","0.0714","","","","","","1.034","","","","has coordinates","188063","2020-10-21","18:00:00",""
"1543647","11.1609","0.0018","16.856","0.003","21.036","0.003","105.844","0.003","94.824","0.003","102.789","0.003","3668.3","1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C74.5 H53 Cl13 O4 P2 Sb2 -","- C74.5 H53 Cl13 O4.221 P2 Sb2 -","- C149 H106 Cl26 O8.442 P4 Sb4 -","2","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.0699","0.0424","","","0.0975","0.1177","","","","","","1.046","","","","has coordinates,has disorder","188063","2020-10-21","18:00:00",""
"1543648","10.758","0.0005","11.0777","0.0005","12.9446","0.0006","108.732","0.003","90.137","0.003","115.76","0.003","1297.41","0.11","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H14 F10 P Sb -","- C30 H14 F10 P Sb -","- C60 H28 F20 P2 Sb2 -","2","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.0524","0.0366","","","0.0727","0.0796","","","","","","1.026","","","","has coordinates","188063","2020-10-21","18:00:00",""
"1543649","10.129","0.003","13.412","0.003","14.339","0.004","99.327","0.006","96.206","0.006","110.765","0.006","1768.2","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H14 Cl4 F10 O2 P Sb -","- C36 H14 Cl4 F10 O2 P Sb -","- C72 H28 Cl8 F20 O4 P2 Sb2 -","2","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.0432","0.0332","","","0.0766","0.0809","","","","","","1.037","","","","has coordinates","188063","2020-10-21","18:00:00",""
"1543650","11.241","0.004","12.544","0.004","13.673","0.004","73.997","0.004","71.62","0.004","64.203","0.004","1625.5","0.9","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H26 Cl4 O3 P Sb -","- C37 H26 Cl4 O3 P Sb -","- C74 H52 Cl8 O6 P2 Sb2 -","2","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.0824","0.0479","","","0.0925","0.109","","","","","","1.041","","","","has coordinates","188063","2020-10-21","18:00:00",""
"1543651","13.9283","0.0006","13.9709","0.0006","14.2499","0.0007","102.466","0.002","110.1","0.002","106.711","0.002","2336.4","0.2","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C39.5 H18.5 Cl11.5 F10 O3 P Sb -","- C39.5 H18.5 Cl11.5 F10 O3 P Sb -","- C79 H37 Cl23 F20 O6 P2 Sb2 -","2","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.0531","0.0462","","","0.1323","0.1381","","","","","","1.059","","","","has coordinates,has disorder","301779","2025-08-18","16:06:47",""
"1543652","11.0232","0.0007","15.2532","0.001","28.605","0.002","90","","100.049","0.004","90","","4735.8","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H31 Cl7 F10 O3 P Sb -","- C42.725 H27.685 Cl7.765 F10 O3 P Sb -","- C170.9 H110.74 Cl31.06 F40 O12 P4 Sb4 -","4","1","","Tofan, Daniel; Gabbaï, François P.","Fluorinated antimony(v) derivatives: strong Lewis acidic properties and application to the complexation of formaldehyde in aqueous solutions","Chem. Sci.","2016","7","11","6768","","10.1039/C6SC02558G","","","0.71073","MoKα","","0.1457","0.1255","","","0.3128","0.3272","","","","","","1.175","","","","has coordinates,has disorder","188063","2020-10-21","18:00:00",""
"1543685","10.124","0.002","10.455","0.003","17.03","0.004","90.017","0.005","94.225","0.007","109.592","0.006","1693","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H44 N2 O4 -","- C40 H44 N2 O4 -","- C80 H88 N4 O8 -","2","1","","Xin, Hanshen; Ge, Congwu; Yang, Xiaodi; Gao, Honglei; Yang, Xiaochun; Gao, Xike","Biazulene diimides: a new building block for organic electronic materials","Chem. Sci.","2016","7","11","6701","","10.1039/C6SC02504H","","","0.71073","MoKα","","0.1956","0.0785","","","0.1806","0.2416","","","","","","0.99","","","","has coordinates,has disorder","301779","2025-08-18","16:06:47",""
"1543711","29.394","0.001","5.619","0.0002","25.1528","0.001","90","","104.918","0.002","90","","4014.3","0.3","100","2","100.02","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 Na O4.5 P S2 -","- C16 H21 Na O4.5 P S2 -","- C128 H168 Na8 O36 P8 S16 -","8","2","","McGuirk, C. Michael; Mendez-Arroyo, Jose; d'Aquino, Andrea I.; Stern, Charlotte L.; Liu, Yuan; Mirkin, Chad A.","A concerted two-prong approach to the in situ allosteric regulation of bifunctional catalysis","Chem. Sci.","2016","7","11","6674","","10.1039/C6SC01454B","","","1.54178","CuKα","","0.0581","0.0532","","","0.1414","0.1449","","","","","","1.08","","","","has coordinates,has disorder","188062","2020-10-21","18:00:00",""
"1543712","48.8875","0.0019","6.1721","0.0002","13.7803","0.0005","90","","103.831","0.003","90","","4037.5","0.3","100","2","100","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C89 H98 Cl2 N8 O8 P2 S2 -","- C89 H98 Cl2 N8 O8 P2 S2 -","- C178 H196 Cl4 N16 O16 P4 S4 -","2","0.5","","McGuirk, C. Michael; Mendez-Arroyo, Jose; d'Aquino, Andrea I.; Stern, Charlotte L.; Liu, Yuan; Mirkin, Chad A.","A concerted two-prong approach to the in situ allosteric regulation of bifunctional catalysis","Chem. Sci.","2016","7","11","6674","","10.1039/C6SC01454B","","","1.54178","CuKα","","0.0517","0.0488","","","0.1288","0.1311","","","","","","1.042","","","","has coordinates,has disorder","188062","2020-10-21","18:00:00",""
"1543713","18.1695","0.0007","9.2664","0.0004","22.3","0.0009","90","","101.881","0.003","90","","3674.1","0.3","100","2","99.99","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H37 B F4 O3 P2 Pt S3 -","- C36 H37 B F4 O3 P2 Pt S3 -","- C144 H148 B4 F16 O12 P8 Pt4 S12 -","4","1","","McGuirk, C. Michael; Mendez-Arroyo, Jose; d'Aquino, Andrea I.; Stern, Charlotte L.; Liu, Yuan; Mirkin, Chad A.","A concerted two-prong approach to the in situ allosteric regulation of bifunctional catalysis","Chem. Sci.","2016","7","11","6674","","10.1039/C6SC01454B","","","1.54178","CuKα","","0.0708","0.0445","","","0.0989","0.1116","","","","","","1.017","","","","has coordinates,has disorder","188062","2020-10-21","18:00:00",""
"1543714","12.3832","0.0006","12.7027","0.0006","13.6428","0.0006","79.884","0.003","76.218","0.003","63.75","0.003","1863.19","0.16","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","pyridinium BArF","","- C37 H18 B F24 N -","- C37 H18 B F24 N -","- C74 H36 B2 F48 N2 -","2","1","","McGuirk, C. Michael; Mendez-Arroyo, Jose; d'Aquino, Andrea I.; Stern, Charlotte L.; Liu, Yuan; Mirkin, Chad A.","A concerted two-prong approach to the in situ allosteric regulation of bifunctional catalysis","Chem. Sci.","2016","7","11","6674","","10.1039/C6SC01454B","","","0.71073","MoKα","","0.0877","0.0636","","","0.1666","0.183","","","","","","1.06","","","","has coordinates,has disorder","188062","2020-10-21","18:00:00",""
"1543733","6.809","0.001","6.809","0.001","20.4439","0.003","90","","90","","120","","820.8","0.2","270","","","","","","","","","","","3","R -3 :H","-R 3","148","","Phyllo-dichromiumhexatellurodigermanate","","- Cr2 Ge2 Te6 -","- Cr2 Ge2 Te6 -","- Cr6 Ge6 Te18 -","3","0.166667","","Carteaux, V.; Brunet, D.; Ouvrard, G.; Andre, G.","Crystallographic, magnetic and electronic structures of a new layered ferromagnetic compound Cr2 Ge2 Te6","Journal of Physics: Condensed Matter","1995","7","","69","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","201202","2020-10-21","18:00:00",""
"1543741","9.4679","0.0001","11.3192","0.0002","16.4547","0.0003","90.276","0.001","105.53","0.001","90.509","0.001","1698.94","0.05","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Cl N O2 -","- C18 H22 Cl N O2 -","- C72 H88 Cl4 N4 O8 -","4","2","","Poh, Jian-Siang; Lau, Shing-Hing; Dykes, Iain G.; Tran, Duc N.; Battilocchio, Claudio; Ley, Steven V.","A multicomponent approach for the preparation of homoallylic alcohols","Chem. Sci.","2016","7","11","6803","","10.1039/C6SC02581A","","","0.71073","MoKα","","0.0505","0.0386","","","0.0894","0.0962","","","","","","1.029","","","","has coordinates","301779","2025-08-18","16:06:47",""
"1543853","14.024","0.003","14.801","0.003","16.889","0.003","105.53","0.03","108.36","0.03","91.5","0.03","3182.2","1.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C31.5 H36 Cl3 Fe N3 -","- C31.5 H36 Cl3 Fe N3 -","- C126 H144 Cl12 Fe4 N12 -","4","2","","Du, Shizhen; Wang, Xinxin; Zhang, Wenjuan; Flisak, Zygmunt; Sun, Yang; Sun, Wen-Hua","A practical ethylene polymerization for vinyl-polyethylenes: synthesis, characterization and catalytic behavior of α,α′-bisimino-2,3:5,6-bis(pentamethylene)pyridyliron chlorides","Polym. Chem.","2016","7","25","4188","","10.1039/C6PY00745G","","","0.71073","MoKα","","0.0705","0.06","","","0.1463","0.1527","","","","","","1.107","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543897","9.539","0.005","5.738","0.003","29.193","0.015","90","","98.613","0.017","90","","1579.9","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H18 F14 N2 -","- C34 H18 F14 N2 -","- C68 H36 F28 N4 -","2","0.5","","Godman, N. P.; Barbee, D. B.; Carty, F. B.; McMillen, C. D.; Corley, C. A.; Shurdha, E.; Iacono, S. T.","Synthesis, characterization, and electrochemical properties of new highly processable, hole-transporting fluorocyclic aryl amine polymers","Polym. Chem.","2016","7","37","5799","","10.1039/C6PY00966B","","","0.71073","MoKα","","0.0868","0.0657","","","0.1289","0.1456","","","","","","1.081","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1543905","18.3767","0.0016","8.6094","0.0007","31.158","0.003","90","","100.972","0.005","90","","4839.5","0.7","100","","99.95","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tetrabutylammonium cobalt bis-dmit","","- C38 H72 Co N2 S10 -","- C38 H72 Co N2 S10 -","- C152 H288 Co4 N8 S40 -","4","0.5","","Fataftah, Majed S.; Coste, Scott C.; Vlaisavljevich, Bess; Zadrozny, Joseph M.; Freedman, Danna E.","Transformation of the coordination complex [Co(C3S5)2]2−from a molecular magnet to a potential qubit","Chem. Sci.","2016","7","9","6160","","10.1039/C6SC02170K","","x-ray","0.71073","MoKα","","0.0941","0.0586","","","0.0971","0.1069","","","","","","1.119","","","","has coordinates","185847","2020-10-21","18:00:00",""
"1543906","9.6545","0.0004","20.7093","0.001","35.6868","0.0014","90","","90.969","0.003","90","","7134.1","0.5","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[bis(triphenylphosphine)iminium]2[Co(dmit)2]","","- C78 H60 Co N2 P4 S10 -","- C78 H60 Co N2 P4 S10 -","- C312 H240 Co4 N8 P16 S40 -","4","1","","Fataftah, Majed S.; Coste, Scott C.; Vlaisavljevich, Bess; Zadrozny, Joseph M.; Freedman, Danna E.","Transformation of the coordination complex [Co(C3S5)2]2−from a molecular magnet to a potential qubit","Chem. Sci.","2016","7","9","6160","","10.1039/C6SC02170K","","","1.54178","CuKα","","0.0656","0.0454","","","0.1041","0.118","","","","","","1.053","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543907","9.8761","0.0016","17.519","0.003","37.155","0.006","90","","92.211","0.005","90","","6423.7","1.8","100","2","99.88","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[(18-crown-6)K]2[Co(dmit)2]","","- C46 H80 Co K2 O16 S10 -","- C46 H79 Co K2 O16 S10 -","- C184 H316 Co4 K8 O64 S40 -","4","1","","Fataftah, Majed S.; Coste, Scott C.; Vlaisavljevich, Bess; Zadrozny, Joseph M.; Freedman, Danna E.","Transformation of the coordination complex [Co(C3S5)2]2−from a molecular magnet to a potential qubit","Chem. Sci.","2016","7","9","6160","","10.1039/C6SC02170K","","","0.71073","MoKα","","0.1324","0.0888","","","0.2647","0.3075","","","","","","1.098","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1543988","128.559","0.003","18.5908","0.0004","5.29842","0.0001","90","","90","","90","","12663.3","0.5","99.9","0.6","99.9","0.6","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H31 Cl2 N O3 S -","- C36 H31 Cl2 N O3 S -","- C576 H496 Cl32 N16 O48 S16 -","16","1","","Deng, Haiqin; Han, Ting; Zhao, Engui; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Tang, Ben Zhong","Multicomponent polymerization: development of a one-pot synthetic route to functional polymers using diyne, N-sulfonyl azide and water/ethanol as reactants","Polym. Chem.","2016","7","36","5646","","10.1039/C6PY01337F","","x-ray","1.54184","CuKα","","0.046","0.0428","","","0.0969","0.0986","","","","","","1.004","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1543989","17.4283","0.0006","9.6165","0.0002","19.5792","0.0007","90","","115.005","0.004","90","","2973.89","0.19","99.9","0.6","99.9","0.6","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H33 N O3 S -","- C37 H33 N O3 S -","- C148 H132 N4 O12 S4 -","4","1","","Deng, Haiqin; Han, Ting; Zhao, Engui; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Tang, Ben Zhong","Multicomponent polymerization: development of a one-pot synthetic route to functional polymers using diyne, N-sulfonyl azide and water/ethanol as reactants","Polym. Chem.","2016","7","36","5646","","10.1039/C6PY01337F","","x-ray","1.54184","CuKα","","0.0593","0.0427","","","0.1103","0.1195","","","","","","1.001","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1543992","10.649","0.002","10.0527","0.0018","12.321","0.002","90","","98.931","0.004","90","","1303","0.4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Al2 N2 O2 -","- C28 H34 Al2 N2 O2 -","- C56 H68 Al4 N4 O4 -","2","0.5","","Huang, Hai-Chao; Wang, Bin; Zhang, Yan-Ping; Li, Yue-Sheng","Bimetallic aluminum complexes with cyclic β-ketiminato ligands: the cooperative effect improves their capability in polymerization of lactide and ε-caprolactone","Polym. Chem.","2016","7","37","5819","","10.1039/C6PY01092J","","","0.71073","MoKα","","0.033","0.0292","","","0.0852","0.0877","","","","","","1.048","","","","has coordinates","187205","2020-10-21","18:00:00",""
"1543993","10.1875","0.0007","23.8487","0.0016","12.0803","0.0008","90","","96.1673","0.0016","90","","2918","0.3","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Al2 N2 O2 -","- C32 H40 Al2 N2 O2 -","- C128 H160 Al8 N8 O8 -","4","1","","Huang, Hai-Chao; Wang, Bin; Zhang, Yan-Ping; Li, Yue-Sheng","Bimetallic aluminum complexes with cyclic β-ketiminato ligands: the cooperative effect improves their capability in polymerization of lactide and ε-caprolactone","Polym. Chem.","2016","7","37","5819","","10.1039/C6PY01092J","","","0.71075","MoKα","","0.0399","0.0334","","","0.0929","0.0969","","","","","","1.045","","","","has coordinates","187205","2020-10-21","18:00:00",""
"1543994","7.4541","0.0008","12.2711","0.0013","15.7103","0.0015","77.64","0.006","81.252","0.006","80.078","0.006","1372.8","0.2","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H40 Al2 N2 O2 -","- C31 H40 Al2 N2 O2 -","- C62 H80 Al4 N4 O4 -","2","1","","Huang, Hai-Chao; Wang, Bin; Zhang, Yan-Ping; Li, Yue-Sheng","Bimetallic aluminum complexes with cyclic β-ketiminato ligands: the cooperative effect improves their capability in polymerization of lactide and ε-caprolactone","Polym. Chem.","2016","7","37","5819","","10.1039/C6PY01092J","","","0.71073","MoKα","","0.0374","0.0328","","","0.0937","0.097","","","","","","1.038","","","","has coordinates","187205","2020-10-21","18:00:00",""
"1544038","10.0156","0.0005","10.1116","0.0003","29.1958","0.001","92.445","0.002","96.7","0.003","104.735","0.003","2831.9","0.2","140","2","140.15","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H42 N2 O4 S4 -","- C45.9293 H28 N1.33333 O3.28 S2.66667 -","- C137.788 H84 N4 O9.84 S8 -","3","1.5","","Paek, S.; Zimmermann, I.; Gao, P.; Gratia, P.; Rakstys, K.; Grancini, G.; Nazeeruddin, Mohammad Khaja; Rub, Malik Abdul; Kosa, Samia A.; Alamry, Khalid A.; Asiri, Abdullah M.","Donor‒π‒donor type hole transporting materials: marked π-bridge effects on optoelectronic properties, solid-state structure, and perovskite solar cell efficiency","Chem. Sci.","2016","7","9","6068","","10.1039/C6SC01478J","","","0.71073","MoKα","","0.1266","0.0686","","","0.1614","0.1949","","","","","","1.048","","","","has coordinates,has disorder","186281","2020-10-21","18:00:00",""
"1544039","19.904","0.002","8.9529","0.0011","24.941","0.002","90","","90","","90","","4444.4","0.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C48 H40 N2 O4 S2 -","- C50 H40 N2 O6 S2 -","- C200 H160 N8 O24 S8 -","4","0.5","","Paek, S.; Zimmermann, I.; Gao, P.; Gratia, P.; Rakstys, K.; Grancini, G.; Nazeeruddin, Mohammad Khaja; Rub, Malik Abdul; Kosa, Samia A.; Alamry, Khalid A.; Asiri, Abdullah M.","Donor‒π‒donor type hole transporting materials: marked π-bridge effects on optoelectronic properties, solid-state structure, and perovskite solar cell efficiency","Chem. Sci.","2016","7","9","6068","","10.1039/C6SC01478J","","","0.71073","MoKα","","0.1621","0.0763","","","0.1734","0.2315","","","","","","1.153","","","","has coordinates","186281","2020-10-21","18:00:00",""
"1544040","11.0264","0.0006","10.3433","0.0014","17.0214","0.0017","90","","93.313","0.005","90","","1938","0.3","120","2","120.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H38 N2 O4 S2 -","- C46 H38 N2 O4 S2 -","- C92 H76 N4 O8 S4 -","2","0.5","","Paek, S.; Zimmermann, I.; Gao, P.; Gratia, P.; Rakstys, K.; Grancini, G.; Nazeeruddin, Mohammad Khaja; Rub, Malik Abdul; Kosa, Samia A.; Alamry, Khalid A.; Asiri, Abdullah M.","Donor–π–donor type hole transporting materials: marked π-bridge effects on optoelectronic properties, solid-state structure, and perovskite solar cell efficiency","Chem. Sci.","2016","7","9","6068","","10.1039/C6SC01478J","","","0.71073","MoKα","","0.0787","0.0525","","","0.1177","0.1336","","","","","","1.164","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544041","12.7253","0.0004","8.8911","0.0003","37.7183","0.0012","90","","94.23","0.002","90","","4255.9","0.2","99","2","99","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dithienylbenzenedithiophene bis(platinum bisacetylide)","","- C86 H126 P4 Pt2 S4 -","- C86 H126 P4 Pt2 S4 -","- C172 H252 P8 Pt4 S8 -","2","0.5","","He, Wenhan; Livshits, Maksim Y.; Dickie, Diane A.; Yang, Jianzhong; Quinnett, Rachel; Rack, Jeffrey J.; Wu, Qin; Qin, Yang","A “roller-wheel” Pt-containing small molecule that outperforms its polymer analogs in organic solar cells","Chem. Sci.","2016","7","9","5798","","10.1039/C6SC00513F","","","0.71073","MoKα","","0.0796","0.0446","","","0.0875","0.0986","","","","","","1.013","","","","has coordinates,has disorder","301779","2025-08-18","16:06:48",""
"1544042","22.6505","0.0006","11.2352","0.0003","12.7961","0.0003","90","","90","","90","","3256.39","0.14","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H33 Ca2 N3 O12 S2 -","- C24 H33 Ca2 N3 O12 S2 -","- C96 H132 Ca8 N12 O48 S8 -","4","1","","Xue, Hui; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Lv, Guangxun; Liang, Linfeng; Liu, Luyao; Hong, Maochun","A regenerative metal‒organic framework for reversible uptake of Cd(ii): from effective adsorption to in situ detection","Chem. Sci.","2016","7","9","5983","","10.1039/C6SC00972G","","","1.54184","CuKα","","0.0431","0.041","","","0.0952","0.0967","","","","","","1.081","","","","has coordinates","186283","2020-10-21","18:00:00",""
"1544043","6.5562","0.0002","10.6424","0.0005","18.2951","0.0006","90","","98.07","0.003","90","","1263.88","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 Ca N O6 S -","- C10 H13 Ca N O6 S -","- C40 H52 Ca4 N4 O24 S4 -","4","1","","Xue, Hui; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Lv, Guangxun; Liang, Linfeng; Liu, Luyao; Hong, Maochun","A regenerative metal‒organic framework for reversible uptake of Cd(ii): from effective adsorption to in situ detection","Chem. Sci.","2016","7","9","5983","","10.1039/C6SC00972G","","","0.71073","MoKα","","0.0473","0.0345","","","0.0692","0.0777","","","","","","1.065","","","","has coordinates","186283","2020-10-21","18:00:00",""
"1544044","11.145","0.0007","24.8685","0.0014","20.3023","0.0012","90","","105.745","0.002","90","","5415.8","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C136.5 H112 Cl4 N10 O2 -","- C136.5 H112 Cl4 N10 O2 -","- C273 H224 Cl8 N20 O4 -","2","0.5","","Galán, Albano; Aragay, Gemma; Ballester, Pablo","A chiral “Siamese-Twin” calix[4]pyrrole tetramer","Chem. Sci.","2016","7","9","5976","","10.1039/C6SC01843B","","","0.71073","MoKα","","0.1263","0.0952","","","0.2438","0.2659","","","","","","1.113","","","","has coordinates,has disorder","186284","2020-10-21","18:00:00",""
"1544045","24.3201","0.0018","40.885","0.003","24.8903","0.0017","90","","107.986","0.002","90","","23540","3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C283.25 H228 Cl5.25 N36.75 O4 -","- C283.25 H228 Cl5.25 N36.75 O4 -","- C1133 H912 Cl21 N147 O16 -","4","1","","Galán, Albano; Aragay, Gemma; Ballester, Pablo","A chiral “Siamese-Twin” calix[4]pyrrole tetramer","Chem. Sci.","2016","7","9","5976","","10.1039/C6SC01843B","","","0.71073","MoKα","","0.1321","0.0983","","","0.2594","0.2989","","","","","","1.09","","","","has coordinates,has disorder","186284","2020-10-21","18:00:00",""
"1544136","12.0454","0.0006","19.9342","0.0012","15.6271","0.0007","90","","90","","90","","3752.3","0.3","293","2","293.15","","","","","","","","","4","P b c n","-P 2n 2ab","60","a-4","propane-2,2-diylbis(4,1-phenylene) (2Z,2'Z)-bis(3-phenyl-3-(phenylamino)acrylate)","","- C45 H38 N2 O4 -","- C45 H38 N2 O4 -","- C180 H152 N8 O16 -","4","0.5","","He, Benzhao; Zhen, Shijie; Wu, Yongwei; Hu, Rongrong; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong","Cu(i)-Catalyzed amino-yne click polymerization","Polym. Chem.","2016","7","48","7375","","10.1039/C6PY01501H","","","0.71073","MoKα","","0.0777","0.0455","","","0.1089","0.1261","","","","","","1.015","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544137","8.8102","0.0008","12.129","0.0011","13.7804","0.0011","105.048","0.008","91.812","0.007","110.568","0.008","1319.1","0.2","293","","293.15","","","","","","","","","3","P -1","-P 1","2","","4,4'-Isopropylidenediphenyl bis(3-phenylpropiolate)","","- C33 H24 O4 -","- C33 H24 O4 -","- C66 H48 O8 -","2","1","","He, Benzhao; Zhen, Shijie; Wu, Yongwei; Hu, Rongrong; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong","Cu(i)-Catalyzed amino-yne click polymerization","Polym. Chem.","2016","7","48","7375","","10.1039/C6PY01501H","","","0.71073","MoKα","","0.0865","0.052","","","0.1227","0.1478","","","","","","1.019","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544245","20.1218","0.001","15.6745","0.0007","21.2107","0.0011","90","","90","","90","","6689.8","0.6","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H40 Cl2 N4 O9 Zn2 -","- C25 H40 Cl2 N4 O9 Zn2 -","- C200 H320 Cl16 N32 O72 Zn16 -","8","1","","Martínez, Javier; Castro-Osma, José A.; Lara-Sánchez, Agustín; Otero, Antonio; Fernández-Baeza, Juan; Tejeda, Juan; Sánchez-Barba, Luis F.; Rodríguez-Diéguez, Antonio","Ring-opening copolymerisation of cyclohexene oxide and carbon dioxide catalysed by scorpionate zinc complexes","Polym. Chem.","2016","7","42","6475","","10.1039/C6PY01559J","","","0.71073","MoKα","","0.0633","0.0383","","","0.0907","0.1098","","","","","","1.119","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544553","9.6965","0.0004","17.3653","0.0007","19.2464","0.0008","90","","90","","90","","3240.8","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C46 H32 O5 -","- C46 H32 O5 -","- C184 H128 O20 -","4","1","","Samoilichenko, Yuri; Kondratenko, Veronica; Ezernitskaya, Mariam; Lyssenko, Konstantin; Peregudov, Alexander; Khrustalev, Victor; Maleev, Victor; Moskalenko, Margarita; North, Michael; Tsaloev, Alan; Gugkaeva, Zalina T.; Belokon, Yuri","A mechanistic study of the Lewis acid–Brønsted base–Brønsted acid catalysed asymmetric Michael addition of diethyl malonate to cyclohexenone","Catal. Sci. Technol.","2017","7","1","90","","10.1039/C6CY01697A","","","0.71073","MoKα","","0.0891","0.0539","","","0.1281","0.1457","","","","","","1.018","","","","has coordinates","301779","2025-08-18","16:06:48",""
"1544675","8.496","0.002","9.983","0.002","16.755","0.003","90","","90","","90","","1421.1","0.5","","","","","","","","","","","","5","I b a m","-I 2 2c","72","BaNa2Al4Si4O16","","banalsite","- Al4 Ba Na2 O16 Si4 -","- Al4 Ba Na2 O16 Si4 -","- Al16 Ba4 Na8 O64 Si16 -","4","0.25","","Haga, N.","The crystal structure of banalsite, BaNa2Al4Si4O16, and its relation to the feldspar structure","Mineralogical Journal","1973","7","","262","281","","","","","","","","","","","","","","","","","","","","","","has coordinates","188704","2020-10-21","18:00:00",""
"1544776","31.425","0.006","9.0156","0.0018","34.41","0.005","90","","147.193","0.008","90","","5282","2","297","","297","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","RuCl(NCO)(DMSO)(Pic)","Ru WOCs","","- C41 H52 Cl8 N8 O6 Ru2 S2 -","- C41 H52 Cl8 N8 O6 Ru2 S2 -","- C164 H208 Cl32 N32 O24 Ru8 S8 -","4","0.5","","Su, Wei; Younus, Hussein A.; Zhou, Kui; Khattak, Zafar A. K.; Chaemcheun, Somboon; Chen, Cheng; Verpoort, Francis","Chemical and photochemical water oxidation catalyzed by novel ruthenium complexes comprising a negatively charged NCNHCO ligand","Catal. Sci. Technol.","2017","7","2","387","","10.1039/C6CY02333A","","","0.71073","MoKα","","0.0683","0.0636","","","0.1487","0.1517","","","","","","1.233","","","","has coordinates","191453","2020-10-21","18:00:00",""
"1544906","4.3992","0.0002","9.4214","0.0007","2.8446","0.0002","90","","90","","90","","117.899","0.013","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","AlOOH","","natural diaspore","- Al H O2 -","- Al O2 -","- Al4 O8 -","4","0.5","","Iwai, S.; Yamamoto, H.; Morikawa, H.; Isobe, M.","Topotactic thermal-transformation of diaspore to corundum Sample: no heat treatment","Mineralogical Journal","1973","7","","137","158","","","","","","","","","","","","","","","","","","","","","","has coordinates","189464","2020-10-21","18:00:00",""
"1545302","2.9","","2.9","","4.88","","90","","90","","120","","35.542","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Hexagonal Gold - Au hcp","","","- Au -","- Au -","- Au2 -","2","0.0833333","","Jany, B. R.; Gauquelin, N.; Willhammar, T.; Nikiel, M.; van den Bos, K. H. W.; Janas, A.; Szajna, K.; Verbeeck, J.; Van Aert, S.; Van Tendeloo, G.; Krok, F.","Controlled growth of hexagonal gold nanostructures during thermally induced self-assembling on Ge(001) surface","Scientific Reports","2017","7","","42420","","10.1038/srep42420","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","194004","2020-10-21","18:00:00",""
"1545973","11.188","0.002","25.322","0.005","16.401","0.003","90","","93.32","0.03","90","","4638.6","1.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H40 Cl2 N2 P2 Ru -","- C41 H40 Cl2 N2 P2 Ru -","- C164 H160 Cl8 N8 P8 Ru4 -","4","1","","Wang, Zheng; Pan, Bing; Liu, Qingbin; Yue, Erlin; Solan, Gregory A.; Ma, Yanping; Sun, Wen-Hua","Efficient acceptorless dehydrogenation of secondary alcohols to ketones mediated by a PNN-Ru(ii) catalyst","Catal. Sci. Technol.","2017","7","8","1654","","10.1039/C7CY00342K","","","0.71073","MoKα","","","0.0736","","","0.1795","0.1921","","","","","","1.034","","","","has coordinates","196197","2020-10-21","18:00:00",""
"1546430","5.9388","0.0002","5.9388","0.0002","7.7322","0.0003","90","","90","","120","","236.173","0.015","","","293","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- O7 Tl4 V2 -","- O7 Tl4 V2 -","- O7 Tl4 V2 -","1","0.0833333","","Jouanneaux, A.; Joubert, O.; Evain, M.; Ganne, M.","Structure determination of Tl4V2O7 from powder diffraction data using an Inel X-ray PSD: stereochemical activity of thallium(I) lone pair","Powder Diffraction","1992","7","","206","211","","powder diffraction","x-ray","1.54056","CuKα","","","","","","","","","0.041","","","","","","","","has coordinates","198238","2020-10-21","18:00:00",""
"1546797","6.768729","0.000013","8.96849","0.000011","23.39031","0.00005","90","","90","","90","","1419.92","0.004","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H11 O -","- C9 H11 O -","- C72 H88 O8 -","8","2","","James A. Kaduk; Amy M. Gindhart; Thomas N. Blanton","Crystal Structure of 17alpha-Dihydroequilin, C18H22O2, from Synchrotron Powder Diffraction Data and Density Functional Theory","Crystals","2017","7","","218","","10.3390/cryst7070218","powder diffraction","x-ray","0.413342","","","","","","","","","0.13604","","1.49","","","","","","","has coordinates","301779","2025-08-18","16:06:51",""
"1546811","10.0781","0.0004","12.2736","0.0005","18.584","0.0008","74.2212","0.0019","75.854","0.002","70.4236","0.0019","2054.25","0.15","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H44 Fe2 N2 O8 -","- C48 H44 Fe2 N2 O8 -","- C96 H88 Fe4 N4 O16 -","2","1","","Sinha, Indranil; Lee, Yuseop; Bae, Choongman; Tussupbayev, Samat; Lee, Yujin; Seo, Min-Seob; Kim, Jin; Baik, Mu-Hyun; Lee, Yunho; Kim, Hyunwoo","Computer-aided rational design of Fe( <scp>iii</scp> )-catalysts for the selective formation of cyclic carbonates from CO <sub>2</sub> and internal epoxides","Catalysis Science & Technology","2017","7","19","4375","4387","10.1039/C7CY01435J","","","0.71073","MoKα","","0.0814","0.0479","","","0.1149","0.1295","","","","","","1.074","","","","has coordinates","282777","2023-04-20","11:56:47",""
"1546812","15.0129","0.0009","6.7964","0.0004","16.6082","0.001","90","","107.336","0.0019","90","","1617.62","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O3 -","- C20 H17 N O3 -","- C80 H68 N4 O12 -","4","1","","Sinha, Indranil; Lee, Yuseop; Bae, Choongman; Tussupbayev, Samat; Lee, Yujin; Seo, Min-Seob; Kim, Jin; Baik, Mu-Hyun; Lee, Yunho; Kim, Hyunwoo","Computer-aided rational design of Fe( <scp>iii</scp> )-catalysts for the selective formation of cyclic carbonates from CO <sub>2</sub> and internal epoxides","Catalysis Science & Technology","2017","7","19","4375","4387","10.1039/C7CY01435J","","","0.71073","MoKα","","0.0625","0.0454","","","0.1234","0.1309","","","","","","1.38","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546813","17.9282","0.0006","11.5903","0.0004","21.7086","0.0007","90","","94.633","0.0019","90","","4496.2","0.3","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N2 O6 -","- C24 H24 N2 O6 -","- C192 H192 N16 O48 -","8","1","","Sinha, Indranil; Lee, Yuseop; Bae, Choongman; Tussupbayev, Samat; Lee, Yujin; Seo, Min-Seob; Kim, Jin; Baik, Mu-Hyun; Lee, Yunho; Kim, Hyunwoo","Computer-aided rational design of Fe( <scp>iii</scp> )-catalysts for the selective formation of cyclic carbonates from CO <sub>2</sub> and internal epoxides","Catalysis Science & Technology","2017","7","19","4375","4387","10.1039/C7CY01435J","","","0.71073","MoKα","","0.0858","0.0514","","","0.1351","0.156","","","","","","1.053","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546814","8.639","0.0003","28.5416","0.001","10.0003","0.0004","90","","98.528","0.002","90","","2438.52","0.16","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H44 Fe2 N4 O10 -","- C58 H44 Fe2 N4 O10 -","- C116 H88 Fe4 N8 O20 -","2","0.5","","Sinha, Indranil; Lee, Yuseop; Bae, Choongman; Tussupbayev, Samat; Lee, Yujin; Seo, Min-Seob; Kim, Jin; Baik, Mu-Hyun; Lee, Yunho; Kim, Hyunwoo","Computer-aided rational design of Fe( <scp>iii</scp> )-catalysts for the selective formation of cyclic carbonates from CO <sub>2</sub> and internal epoxides","Catalysis Science & Technology","2017","7","19","4375","4387","10.1039/C7CY01435J","","","0.71073","MoKα","","0.0867","0.0494","","","0.106","0.1225","","","","","","1.032","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546834","34.9801","0.0012","34.9801","0.0012","34.9801","0.0012","90","","90","","90","","42802","3","100","2","100","2","","","","","","","","4","F d -3 m","-F 4vw 2vw 3","227","","","","- C12 H6 Hf3 O16 -","- C12 H6 Hf3 O16 -","- C384 H192 Hf96 O512 -","32","","","Nguyen, Linh H. T.; Nguyen, The T.; Nguyen, Ha L.; Doan, Tan L. H.; Tran, Phuong Hoang","A new superacid hafnium-based metal–organic framework as a highly active heterogeneous catalyst for the synthesis of benzoxazoles under solvent-free conditions","Catalysis Science & Technology","2017","7","19","4346","4350","10.1039/C7CY01668A","","","0.71073","MoKα","","0.0467","0.0384","","","0.118","0.123","","","","","","1.119","","","","has coordinates","282777","2023-04-20","11:56:48",""
"1546835","34.901","0.003","34.901","0.003","34.901","0.003","90","","90","","90","","42512","6","100","2","100","2","","","","","","","","5","F d -3 m","-F 4vw 2vw 3","227","","","","- C9 H3 Hf3 O13 S6 -","- C9 H3 Hf3 O13 S6 -","- C288 H96 Hf96 O416 S192 -","32","","","Nguyen, Linh H. T.; Nguyen, The T.; Nguyen, Ha L.; Doan, Tan L. H.; Tran, Phuong Hoang","A new superacid hafnium-based metal–organic framework as a highly active heterogeneous catalyst for the synthesis of benzoxazoles under solvent-free conditions","Catalysis Science & Technology","2017","7","19","4346","4350","10.1039/C7CY01668A","","","0.71073","MoKα","","0.0602","0.051","","","0.1461","0.1518","","","","","","1.383","","","","has coordinates","282777","2023-04-20","11:56:49",""
"1547183","6.357","0.0003","7.2377","0.0003","16.7375","0.0007","80.359","0.003","82.469","0.003","72.36","0.003","720.87","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Hamada_F8_30_09_12_a","","","- C15 H10 Cl2 N2 O2 -","- C15 H10 Cl2 N2 O2 -","- C30 H20 Cl4 N4 O4 -","2","1","","Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi","Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents","Chemistry Central Journal","2013","7","","123","","10.1186/1752-153X-7-123","","","1.54178","CuKα","","0.0457","0.0424","","","0.1442","0.1474","","","","","","1.9","","","","has coordinates","200923","2020-10-21","18:00:00",""
"1547184","6.0147","0.0002","7.3767","0.0002","16.5968","0.0004","80.941","0.002","85.362","0.001","67.694","0.001","672.6","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Hamada_F4_20_05_12","","","- C15 H11 Cl N2 O2 -","- C15 H11 Cl N2 O2 -","- C30 H22 Cl2 N4 O4 -","2","1","","Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi","Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents","Chemistry Central Journal","2013","7","","123","","10.1186/1752-153X-7-123","","","1.54178","","","0.0379","0.0359","","","0.1016","0.1035","","","","","","1.063","","","","has coordinates","200924","2020-10-21","18:00:00",""
"1547185","7.7965","0.0011","11.0035","0.0013","12.2289","0.0017","70.789","0.008","89.602","0.007","85.231","0.007","987","0.2","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cl2 N4 O2 -","- C20 H16 Cl2 N4 O2 -","- C40 H32 Cl4 N8 O4 -","2","1","","Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi","Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents","Chemistry Central Journal","2013","7","","123","","10.1186/1752-153X-7-123","","","0.71075","MoKα","","","0.0641","","","","0.2135","","","","","","0.874","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547186","27.918","0.004","6.6325","0.0008","24.125","0.003","90","","113.965","0.009","90","","4082","1","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Hamada_F24_22_04_12","","","- C20 H16 Cl N5 O4 -","- C20 H16 Cl N5 O4 -","- C160 H128 Cl8 N40 O32 -","8","1","","Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi","Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents","Chemistry Central Journal","2013","7","","123","","10.1186/1752-153X-7-123","","","1.54178","CuKα","","0.1154","0.0781","","","0.1746","0.1984","","","","","","1.109","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547187","7.5481","0.0006","21.3823","0.0013","27.862","0.002","90","","90","","90","","4496.8","0.6","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 Cl2 N4 O4 -","- C22 H20 Cl2 N4 O4 -","- C176 H160 Cl16 N32 O32 -","8","1","","Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi","Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents","Chemistry Central Journal","2013","7","","123","","10.1186/1752-153X-7-123","","","0.71075","MoKα","","","0.067","","","","0.1965","","","","","","0.998","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547188","8.918","0.001","10.6964","0.0011","13.2165","0.0014","73.044","0.006","81.609","0.006","70.078","0.005","1132.2","0.2","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cl2 N6 O3 S -","- C20 H16 Cl2 N6 O3 S -","- C40 H32 Cl4 N12 O6 S2 -","2","1","","Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi","Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents","Chemistry Central Journal","2013","7","","123","","10.1186/1752-153X-7-123","","","0.71075","MoKα","","","0.0471","","","","0.1891","","","","","","1.122","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547189","9.8702","0.0007","18.7297","0.0014","19.4912","0.0015","90","","92.397","0.004","90","","3600.1","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Hamada_F6_14_03_12","","","- C20 H15 Cl N2 O4 -","- C20 H15 Cl N2 O4 -","- C160 H120 Cl8 N16 O32 -","8","2","","Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi","Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents","Chemistry Central Journal","2013","7","","123","","10.1186/1752-153X-7-123","","","1.54178","CuKα","","0.0685","0.0468","","","0.1277","0.1346","","","","","","1.054","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547190","26.252","0.002","7.3051","0.0005","24.0223","0.0018","90","","90","","90","","4606.8","0.6","293","","293","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H17 Cl2 N5 O5 -","- C22 H17 Cl2 N5 O5 -","- C176 H136 Cl16 N40 O40 -","8","1","","Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi","Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents","Chemistry Central Journal","2013","7","","123","","10.1186/1752-153X-7-123","","","0.71075","MoKα","","","0.0585","","","","0.1531","","","","","","0.961","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547191","8.0271","0.001","14.5864","0.0013","21.531","0.003","90","","97.548","0.007","90","","2499.1","0.5","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 Cl2 N5 O6 -","- C24 H19 Cl2 N5 O6 -","- C96 H76 Cl8 N20 O24 -","4","1","","Hamada Mohamed Ibrahim; Haider Behbehani; Mohamed H Elnagdi","Approaches towards the synthesis of a novel class of 2-amino-5-arylazonicotinate, pyridazinone and pyrido[2,3-d]pyrimidine derivatives as potent antimicrobial agents","Chemistry Central Journal","2013","7","","123","","10.1186/1752-153X-7-123","","","0.71075","MoKα","","","0.0458","","","","0.1531","","","","","","1.098","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547206","8.002","0.0008","9.498","0.001","11.6401","0.0012","81.034","0.008","77.83","0.008","73.12","0.008","823.29","0.15","210","2","210","2","","","","","","","","7","P -1","-P 1","2","","Bis[tris(2-hydroxyethyl)amine]-nickel(II)- bis-[(4-chlorophenylsulfanyl)acetate]","","- C28 H42 Cl2 N2 Ni O10 S2 -","- C28 H42 Cl2 N2 Ni O10 S2 -","- C28 H42 Cl2 N2 Ni O10 S2 -","1","0.5","","Adamovich, S. N.; Mirskova, A. N.; Mirskov, R. G.; Schilde, Uwe","Reaction of pharmacological active tris-(2-hydroxyethyl)ammonium 4-chlorophenylsulfanylacetate with ZnCl2 or NiCl2: First conversion of a protic ionic liquid into metallated ionic liquid","Chemistry Central Journal","2013","7","","34","","10.1186/1752-153X-7-34","","","0.71073","MoKα","","0.0445","0.03","","","0.0575","0.0603","","","","","","0.964","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547207","8.2822","0.0002","16.5364","0.0003","14.5365","0.0003","90","","91.988","0.0019","90","","1989.69","0.07","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H28 Co Fe N12 O2 -","- C12 H28 Co Fe N12 O2 -","- C48 H112 Co4 Fe4 N48 O8 -","4","1","","Zdenek Travnicek; Radek Zboril; Miroslava Matikova-Malarova; Bohuslav Drahos; Juraj Cernak","Thermal decomposition of [Co(en)3][Fe(CN)6].2H2O: Topotactic dehydration process, valence and spin exchange mechanism elucidation","Chemistry Central Journal","2013","7","","28","","10.1186/1752-153X-7-28","","","0.71073","MoKα","","0.0354","0.0265","","","0.0807","0.0976","","","","","","1.169","","","","has coordinates","200972","2020-10-21","18:00:00",""
"1547208","15.0448","0.0003","8.4631","0.0002","14.9812","0.0003","90","","90.1603","0.0019","90","","1907.48","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H50 Co2 Fe2 N24 O -","- C24 H50 Co2 Fe2 N24 O -","- C48 H100 Co4 Fe4 N48 O2 -","2","0.5","","Zdenek Travnicek; Radek Zboril; Miroslava Matikova-Malarova; Bohuslav Drahos; Juraj Cernak","Thermal decomposition of [Co(en)3][Fe(CN)6].2H2O: Topotactic dehydration process, valence and spin exchange mechanism elucidation","Chemistry Central Journal","2013","7","","28","","10.1186/1752-153X-7-28","","","0.71073","MoKα","","0.0333","0.0263","","","0.0796","0.0948","","","","","","1.246","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547209","9.699","0.001","8.5","0.001","18.044","0.002","90","","101.29","0.007","90","","1458.8","0.3","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O S -","- C16 H15 N3 O S -","- C64 H60 N12 O4 S4 -","4","1","","Behrooz Rezaei; Mehrnoosh Fazlollahi","Synthesis, solvatochromism and crystal structure of 5-Methoxy-5,6-diphenyl-4,5-dihydro-2H -1,2,4-triazine-3-thione","Chemistry Central Journal","2013","7","","130","","10.1186/1752-153X-7-130","","","0.71069","MoKα","","0.0391","0.0371","","","0.1008","0.1024","","","","","","1.062","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547215","10.2944","0.0001","13.6664","0.0002","19.4983","0.0002","90","","90","","90","","2743.16","0.06","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H46 N O2 P S2 -","- C24 H46 N O2 P S2 -","- C96 H184 N4 O8 P4 S8 -","4","1","","Samet Solak; Cemal Aydemir; Mehmet Karakus; Peter Lonnecke","Novel Gold(I) and Silver(I) Complexes of Phosphorus-1,1,-dithiolates and Molecular Structure of [O,O'-(Bornyl)2PS2]H3NC(CH3)3","Chemistry Central Journal","2013","7","","89","","10.1186/1752-153X-7-89","","","0.71073","MoKα","","0.0403","0.0348","","","0.0909","0.0925","","","","","","0.997","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547244","11.234","0.0014","12.431","0.0017","13.347","0.0012","83.037","0.007","71.297","0.006","89.54","0.005","1751.5","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H56 N2 O4 Ti -","- C35 H56 N2 O4 Ti -","- C70 H112 N4 O8 Ti2 -","2","1","","Stuart L Hancock; Mary F. Mahon; Matthew D. Jones","Monomeric Ti(IV) Homopiperazine Complexes and their Exploitation for the Ring Opening Polymerisation of rac-Lactide","Chemistry Central Journal","2013","7","","135","","10.1186/1752-153X-7-135","","","0.71073","MoKα","","0.1066","0.0564","","","0.1265","0.1497","","","","","","1.034","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547245","19.372","0.0007","9.652","0.0004","20.395","0.001","90","","116.015","0.002","90","","3427","0.3","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C35 H56 N2 O4 Ti -","- C35 H56 N2 O4 Ti -","- C140 H224 N8 O16 Ti4 -","4","1","","Stuart L Hancock; Mary F. Mahon; Matthew D. Jones","Monomeric Ti(IV) Homopiperazine Complexes and their Exploitation for the Ring Opening Polymerisation of rac-Lactide","Chemistry Central Journal","2013","7","","135","","10.1186/1752-153X-7-135","","","0.71073","MoKα","","0.1272","0.0837","","","0.196","0.2254","","","","","","1.079","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547246","10.925","0.0007","14.72","0.0012","27.104","0.0014","90","","90","","90","","4358.8","0.5","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H76 N2 O4 Ti -","- C45 H76 N2 O4 Ti -","- C180 H304 N8 O16 Ti4 -","4","1","","Stuart L Hancock; Mary F. Mahon; Matthew D. Jones","Monomeric Ti(IV) Homopiperazine Complexes and their Exploitation for the Ring Opening Polymerisation of rac-Lactide","Chemistry Central Journal","2013","7","","135","","10.1186/1752-153X-7-135","","","0.71073","MoKα","","0.0918","0.0607","","","0.1452","0.1651","","","","","","1.039","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547247","14.053","0.0002","13.582","0.0002","20.148","0.0004","90","","91.528","0.001","90","","3844.24","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H60 N2 O4 Ti -","- C40 H60 N2 O4 Ti -","- C160 H240 N8 O16 Ti4 -","4","1","","Stuart L Hancock; Mary F. Mahon; Matthew D. Jones","Monomeric Ti(IV) Homopiperazine Complexes and their Exploitation for the Ring Opening Polymerisation of rac-Lactide","Chemistry Central Journal","2013","7","","135","","10.1186/1752-153X-7-135","","","0.71073","MoKα","","0.083","0.0503","","","0.1156","0.1348","","","","","","1.027","","","","has coordinates,has disorder","201066","2020-10-21","18:00:00",""
"1547250","10.3809","0.0002","11.7017","0.0003","11.3918","0.0002","90","","91.742","0.001","90","","1383.17","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H36 Br2 N4 O2 -","- C28 H36 Br2 N4 O2 -","- C56 H72 Br4 N8 O4 -","2","1","","Muhammad Adnan Iqbal; Rosenani A Haque; Siti Fatimah Nasri; AMS Abdul Majid; Mohamed B Khadeer Ahamed; Elham Farsi; Tabinda Fatima","Potential of silver against human colon cancer: (synthesis, characterization and crystal structures of xylyl (Ortho, meta, & Para) linked bis-benzimidazolium salts and Ag(I)-NHC complexes: In vitroanticancer studies)","Chemistry Central Journal","2013","7","","27","","10.1186/1752-153X-7-27","","","0.71073","MoKα","","0.0457","0.0334","","","0.0598","0.063","","","","","","0.934","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547251","16.3719","0.0004","10.0392","0.0002","19.1499","0.0004","90","","96.896","0.001","90","","3124.72","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 F12 N4 P2 -","- C28 H32 F12 N4 P2 -","- C112 H128 F48 N16 P8 -","4","1","","Muhammad Adnan Iqbal; Rosenani A Haque; Siti Fatimah Nasri; AMS Abdul Majid; Mohamed B Khadeer Ahamed; Elham Farsi; Tabinda Fatima","Potential of silver against human colon cancer: (synthesis, characterization and crystal structures of xylyl (Ortho, meta, & Para) linked bis-benzimidazolium salts and Ag(I)-NHC complexes: In vitroanticancer studies)","Chemistry Central Journal","2013","7","","27","","10.1186/1752-153X-7-27","","","0.71073","MoKα","","0.0707","0.0522","","","0.1309","0.1531","","","","","","1.041","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547252","12.0379","0.0006","10.2165","0.0005","12.7232","0.0006","90","","96.236","0.001","90","","1555.51","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 F12 N4 P2 -","- C28 H32 F12 N4 P2 -","- C56 H64 F24 N8 P4 -","2","0.5","","Muhammad Adnan Iqbal; Rosenani A Haque; Siti Fatimah Nasri; AMS Abdul Majid; Mohamed B Khadeer Ahamed; Elham Farsi; Tabinda Fatima","Potential of silver against human colon cancer: (synthesis, characterization and crystal structures of xylyl (Ortho, meta, & Para) linked bis-benzimidazolium salts and Ag(I)-NHC complexes: In vitroanticancer studies)","Chemistry Central Journal","2013","7","","27","","10.1186/1752-153X-7-27","","","0.71073","MoKα","","0.0456","0.037","","","0.1068","0.1134","","","","","","1.043","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547257","9.5682","0.0002","15.8094","0.0004","13.5902","0.0002","90","","99.76","0.001","90","","2026","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 O6 -","- C23 H24 O6 -","- C92 H96 O24 -","4","1","","Petra Galer; Amalija Golobic; Joze Koller; Berta Kosmrlj; Boris Sket","Structures in solid state and solution of dimethoxy curcuminoids: regioselective bromination and chlorination","Chemistry Central Journal","2013","7","","107","","10.1186/1752-153X-7-107","","","0.71069","MoKα","","0.1058","0.0671","","","0.1655","0.2056","","","","","","1.094","","","","has coordinates","201076","2020-10-21","18:00:00",""
"1547258","30.699","0.005","8.444","0.005","8.788","0.005","90","","90","","90","","2278","1.9","293","2","293","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C24 H24 O7 -","- C24 H24 O7 -","- C96 H96 O28 -","4","0.5","","Petra Galer; Amalija Golobic; Joze Koller; Berta Kosmrlj; Boris Sket","Structures in solid state and solution of dimethoxy curcuminoids: regioselective bromination and chlorination","Chemistry Central Journal","2013","7","","107","","10.1186/1752-153X-7-107","","","0.71072","MoKα","","0.0891","0.0701","","","0.2122","0.231","","","","","","1.053","","","","has coordinates","201077","2020-10-21","18:00:00",""
"1547259","7.9853","0.0003","27.0569","0.0008","19.2058","0.0005","90","","101.888","0.003","90","","4060.6","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 O6 -","- C23 H24 O6 -","- C184 H192 O48 -","8","2","","Petra Galer; Amalija Golobic; Joze Koller; Berta Kosmrlj; Boris Sket","Structures in solid state and solution of dimethoxy curcuminoids: regioselective bromination and chlorination","Chemistry Central Journal","2013","7","","107","","10.1186/1752-153X-7-107","","","0.71073","MoKα","","0.1256","0.0642","","","0.162","0.1897","","","","","","1.058","","","","has coordinates","201078","2020-10-21","18:00:00",""
"1547260","10.8388","0.0003","8.8885","0.0003","22.1827","0.0007","90","","100.433","0.003","90","","2101.76","0.12","291","2","291","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","3-nitroso-2-phenylimidazo[1,2-a]pyridine","","- C13 H9 N3 O -","- C13 H9 N3 O -","- C104 H72 N24 O8 -","8","2","","Manuel Velazquez-Ponce; Hector Salgado-Zamora; Hugo A Jimenez-Vazquez; Maria Elena Campos-Aldrete; Rogelio Jimenez; Humberto Cervantes; Taibi Ben Hadda","Intramolecular H-bonding interaction in angular 3-pi-EWG substituted imidazo[1,2-a]pyridines contributes to conformational preference","Chemistry Central Journal","2013","7","","20","","10.1186/1752-153X-7-20","","x-ray","0.71073","MoKα","","0.1249","0.0754","","","0.134","0.1481","","","","","","1.125","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547743","13.642","0.0011","11.1624","0.0009","21.3653","0.0016","90","","95.271","0.002","90","","3239.7","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 N4 Ni -","- C30 H18 N4 Ni -","- C180 H108 N24 Ni6 -","6","1.5","","Ryo Nozawa; Hiroko Tanaka; Won-Young Cha; Yongseok Hong; Ichiro Hisaki; Soji Shimizu; Ji-Young Shin; Tim Kowalczyk; Stephan Irle; Dongho Kim; Hiroshi Shinokubo","Stacked antiaromatic porphyrins","Nature Communications","2016","7","","13620","","10.1038/ncomms13620","","","0.71073","MoKα","","0.0675","0.0508","","","0.1289","0.1386","","","","","","1.034","","","","has coordinates","301779","2025-08-18","16:06:52",""
"1547744","24.768","0.0002","13.8476","0.0001","33.0065","0.0003","90","","99.5763","0.0004","90","","11162.7","0.16","93","","93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H42 Cl6 N8 Ni2 S2 -","- C66 H42 Cl6 N8 Ni2 S2 -","- C528 H336 Cl48 N64 Ni16 S16 -","8","1","","Ryo Nozawa; Hiroko Tanaka; Won-Young Cha; Yongseok Hong; Ichiro Hisaki; Soji Shimizu; Ji-Young Shin; Tim Kowalczyk; Stephan Irle; Dongho Kim; Hiroshi Shinokubo","Stacked antiaromatic porphyrins","Nature Communications","2016","7","","13620","","10.1038/ncomms13620","","","0.8","synchrotron","","0.0748","0.0719","","","0.2003","0.2032","","","","","","1.067","","","","has coordinates,has disorder","301779","2025-08-18","16:06:52",""
"1547745","10.3437","0.0012","11.1763","0.0015","19.446","0.002","87.24","0.004","79.489","0.005","88.855","0.004","2207.6","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1222","0.0597","","","0.1632","0.2144","","","","","","0.985","","","","has coordinates","202174","2020-10-21","18:00:00",""
"1547746","10.343","0.0006","11.1816","0.0008","19.4313","0.0013","87.281","0.002","79.707","0.002","88.818","0.002","2208.4","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1274","0.0625","","","0.1724","0.224","","","","","","0.994","","","","has coordinates","202175","2020-10-21","18:00:00",""
"1547747","10.3504","0.0007","11.1958","0.0009","19.4394","0.0014","87.289","0.003","79.822","0.003","88.798","0.002","2214.5","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1344","0.0658","","","0.1863","0.2398","","","","","","0.986","","","","has coordinates","202176","2020-10-21","18:00:00",""
"1547748","10.3258","0.0004","11.1596","0.0004","19.3998","0.0008","87.2796","0.001","79.5728","0.0009","88.8537","0.001","2195.93","0.15","303","2","303","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.0708","0.0517","","","0.1334","0.1486","","","","","","1.04","","","","has coordinates","202177","2020-10-21","18:00:00",""
"1547749","10.3579","0.0009","11.21","0.0012","19.4479","0.0018","87.293","0.003","79.94","0.004","88.772","0.003","2220.7","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1369","0.0646","","","0.1792","0.2375","","","","","","0.982","","","","has coordinates","202178","2020-10-21","18:00:00",""
"1547750","10.3393","0.0004","11.1764","0.0004","19.3966","0.0008","87.3043","0.001","79.8391","0.0009","88.8264","0.0009","2203.63","0.15","318","2","318","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.0739","0.0527","","","0.1381","0.155","","","","","","1.042","","","","has coordinates","202179","2020-10-21","18:00:00",""
"1547751","10.3662","0.0012","11.2263","0.0015","19.458","0.002","87.294","0.004","80.055","0.005","88.745","0.004","2227.7","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1418","0.0661","","","0.1848","0.2432","","","","","","0.968","","","","has coordinates","202180","2020-10-21","18:00:00",""
"1547752","10.3758","0.0015","11.2462","0.0019","19.467","0.003","87.299","0.006","80.198","0.006","88.715","0.005","2235.7","0.6","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1445","0.0653","","","0.1765","0.2374","","","","","","0.964","","","","has coordinates","202181","2020-10-21","18:00:00",""
"1547753","10.3528","0.0005","11.195","0.0005","19.3916","0.0008","87.3094","0.001","80.1334","0.0009","88.7511","0.001","2211.58","0.17","333","2","333","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.0777","0.054","","","0.1407","0.1583","","","","","","1.041","","","","has coordinates","202182","2020-10-21","18:00:00",""
"1547754","10.3815","0.0018","11.262","0.002","19.473","0.004","87.298","0.007","80.314","0.007","88.684","0.006","2241.5","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1453","0.0648","","","0.18","0.2456","","","","","","0.958","","","","has coordinates","202183","2020-10-21","18:00:00",""
"1547755","10.3843","0.0006","11.2809","0.0006","19.3678","0.0011","87.3201","0.0013","81.11","0.0012","88.5831","0.0013","2238.8","0.2","378","2","378","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.0948","0.0585","","","0.1536","0.1804","","","","","","1.025","","","","has coordinates","202184","2020-10-21","18:00:00",""
"1547756","10.391","0.002","11.288","0.003","19.483","0.004","87.29","0.008","80.485","0.009","88.65","0.008","2251","0.9","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.1561","0.0658","","","0.1825","0.2536","","","","","","0.945","","","","has coordinates","202185","2020-10-21","18:00:00",""
"1547757","10.3641","0.0005","11.2179","0.0005","19.3874","0.0008","87.325","0.001","80.4216","0.0009","88.7095","0.001","2219.95","0.17","348","2","348","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.0825","0.0558","","","0.1447","0.1642","","","","","","1.045","","","","has coordinates","202186","2020-10-21","18:00:00",""
"1547758","10.3728","0.0006","11.2401","0.0006","19.3827","0.001","87.3342","0.0013","80.6721","0.0012","88.6789","0.0012","2227.3","0.2","360","2","360","2","","","","","","","","7","P -1","-P 1","2","","","","- C43 H54 F6 Fe N O8 P -","- C43 H54 F6 Fe N O8 P -","- C86 H108 F12 Fe2 N2 O16 P2 -","2","1","","Kai-Jen Chen; Ya-Ching Tsai; Yuji Suzaki; Kohtaro Osakada; Atsushi Miura; Masaki Horie","Rapid and reversible photoinduced switching of a rotaxane crystal","Nature Communications","2016","7","","13321","","10.1038/ncomms13321","","","0.71073","MoKα","","0.0883","0.0565","","","0.1511","0.1748","","","","","","1.047","","","","has coordinates","202187","2020-10-21","18:00:00",""
"1547950","9.4226","0.0003","10.7168","0.0003","13.2648","0.0004","90","","90","","90","","1339.48","0.07","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0328","0.0276","","","0.0645","0.0705","","","","","","1.212","","","","has coordinates","203039","2020-10-21","18:00:00",""
"1547951","9.2129","0.0005","10.5779","0.0005","13.0532","0.0006","90","","90","","90","","1272.08","0.11","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0313","0.0286","","","0.0659","0.0687","","","","","","1.104","","","","has coordinates","203040","2020-10-21","18:00:00",""
"1547952","9.1029","0.001","10.5419","0.0009","12.9562","0.0008","90","","90","","90","","1243.3","0.19","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0589","0.0525","","","0.1326","0.1405","","","","","","1.109","","","","has coordinates","203041","2020-10-21","18:00:00",""
"1547953","9.0638","0.0003","10.4978","0.0003","12.9039","0.0004","90","","90","","90","","1227.81","0.07","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0298","0.0281","","","0.0668","0.0677","","","","","","1.189","","","","has coordinates","203042","2020-10-21","18:00:00",""
"1547954","8.9159","0.0005","12.7935","0.0006","10.4016","0.0005","90","","91.208","0.004","90","","1186.2","0.1","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","2","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0388","0.0335","","","0.0739","0.0781","","","","","","1.098","","","","has coordinates","203043","2020-10-21","18:00:00",""
"1547955","8.873","0.001","12.778","0.0009","10.3459","0.001","90","","92.25","0.009","90","","1172.11","0.19","293","","293","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","2","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.037","0.0337","","","0.0762","0.0777","","","","","","1.097","","","","has coordinates","203044","2020-10-21","18:00:00",""
"1547956","9.6089","0.0003","10.8491","0.0003","13.4542","0.0004","90","","90","","90","","1402.57","0.07","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0474","0.0307","","","0.0514","0.0547","","","","","","1.037","","","","has coordinates","203045","2020-10-21","18:00:00",""
"1547957","9.6184","0.0004","10.8488","0.0004","13.4471","0.0004","90","","90","","90","","1403.18","0.09","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0545","0.0457","","","0.1126","0.1187","","","","","","1.21","","","","has coordinates","203046","2020-10-21","18:00:00",""
"1547958","10.3829","0.0006","13.4805","0.0009","9.7632","0.0011","90","","90","","90","","1366.5","0.2","300","","300","","","","100000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0338","0.0301","","0.0342","0.0283","0.0283","","","","","","0.9127","","","","has coordinates","203047","2020-10-21","18:00:00",""
"1547959","10.2971","0.0005","13.4016","0.0009","9.6238","0.001","90","","90","","90","","1328.06","0.18","300","","300","","","","300000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0298","0.0257","","0.0275","0.0222","0.0222","","","","","","0.9141","","","","has coordinates","203048","2020-10-21","18:00:00",""
"1547960","10.118","0.0006","13.259","0.002","9.3321","0.0006","90","","90","","90","","1251.9","0.2","300","","300","","","","1200000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0234","0.0178","","0.024","0.0197","0.0197","","","","","","0.881","","","","has coordinates","203049","2020-10-21","18:00:00",""
"1547961","10.0281","0.0005","13.122","0.002","9.1585","0.0005","90","","90","","90","","1205.2","0.2","300","","300","","","","1800000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0283","0.0234","","0.03","0.023","0.023","","","","","","0.9963","","","","has coordinates","203050","2020-10-21","18:00:00",""
"1547962","9.9548","0.001","12.959","0.005","9.0069","0.0011","90","","90","","90","","1161.9","0.5","300","","300","","","","2600000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0334","0.0287","","0.0382","0.0332","0.0332","","","","","","1.0081","","","","has coordinates","203051","2020-10-21","18:00:00",""
"1547963","9.835","0.002","12.816","0.015","8.746","0.003","90","","90","","90","","1102.4","1.4","300","","300","","","","4300000","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.4859","Synchrotron-DiamondLightSourceBeamlineI19","","0.0948","0.0702","","0.0599","0.0508","0.0508","","","","","","1.1071","","","","has coordinates","203052","2020-10-21","18:00:00",""
"1547964","10.4093","0.0004","13.5203","0.0005","9.8134","0.0003","90","","90","","90","","1381.11","0.08","300","","300","","","","","","","","F.J. Martinez Lillo","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","","0.71073","MoKα","","0.022","0.0194","","0.0206","0.0189","0.0189","","","","","","1.0682","","","","has coordinates","203053","2020-10-21","18:00:00",""
"1547965","10.261","0.0002","13.4766","0.0003","9.5069","0.0002","90","","90","","90","","1314.65","0.05","4","","4","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H9 Cl4 N3 Re -","- C6 H9 Cl4 N3 Re -","- C24 H36 Cl16 N12 Re4 -","4","0.5","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0151","0.0149","","","0.0339","0.034","","","","","","1.287","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1547966","9.4883","0.0003","10.7299","0.0004","13.3288","0.0005","90","","90","","90","","1356.99","0.08","4","2","3.93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H6 Br4 N4 Re -","- C8 H6 Br4 N4 Re -","- C32 H24 Br16 N16 Re4 -","4","1","","Christopher H. Woodall; Gavin A. Craig; Alessandro Prescimone; Martin Misek; Joan Cano; Juan Faus; Michael R. Probert; Simon Parsons; Stephen Moggach; Jose Martinez-Lillo; Mark Murrie; Konstantin V. Kamenev; Euan K. Brechin","Pressure induced enhancement of the magnetic ordering temperature in rhenium(IV) monomers","Nature Communications","2017","7","","13870","","10.1038/ncomms13870","","x-ray","0.71073","MoKα","","0.0215","0.0205","","","0.0433","0.0437","","","","","","1.076","","","","has coordinates","203055","2020-10-21","18:00:00",""
"1547967","16.2122","0.0003","16.2122","0.0003","16.0642","0.0007","90","","90","","120","","3656.57","0.19","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C26 H27 Mg3 N O22 -","- C24 H6 Mg3 O22 -","- C48 H12 Mg6 O44 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.075","0.0571","","","0.1693","0.1767","","","","","","1.067","","","","has coordinates","288476","2023-12-21","15:26:10",""
"1547968","16.997","0.0004","16.997","0.0004","14.9864","0.0009","90","","90","","120","","3749.5","0.3","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C44 H36 Mg3 N10 O13 -","- C42 H18 Mg3 N9 O13 -","- C84 H36 Mg6 N18 O26 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.0754","0.067","","","0.2027","0.2102","","","","","","1.091","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547969","17.4162","0.0004","17.4162","0.0004","14.9154","0.0007","90","","90","","120","","3918.1","0.2","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H25 Mn3 N6 O13 -","- C42 H24 Mn3 N6 O13 -","- C84 H48 Mn6 N12 O26 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.0423","0.0345","","","0.1005","0.1034","","","","","","1.027","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547970","17.0539","0.0004","17.0539","0.0004","14.9837","0.0007","90","","90","","120","","3774","0.2","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H28 Co3 N9 O13 -","- C42 H18 Co3 N9 O13 -","- C84 H36 Co6 N18 O26 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.0572","0.05","","","0.1668","0.1719","","","","","","1.004","","","","has coordinates","203059","2020-10-21","18:00:00",""
"1547971","17.0539","0.0004","17.0539","0.0004","14.9837","0.0007","90","","90","","120","","3774","0.2","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C42 H28 N9 O13 Zn3 -","- C42 H18 N9 O13 Zn3 -","- C84 H36 N18 O26 Zn6 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.0585","0.0501","","","0.1545","0.1611","","","","","","0.98","","","","has coordinates","203060","2020-10-21","18:00:00",""
"1547972","15.9423","0.0003","15.9423","0.0003","16.0411","0.0007","90","","90","","120","","3530.75","0.18","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C24 H19 Mg2 O22 V -","- C24 H6 Mg2.0001 O22 V0.9999 -","- C48 H12 Mg4.0002 O44 V1.9998 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.0743","0.0616","","","0.1823","0.1951","","","","","","1.072","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547973","16.6165","0.001","16.6165","0.001","15.3366","0.0019","90","","90","","120","","3667.2","0.6","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C42 H25 Mg2 N6 O19 V -","- C42 H18 Mg2.0001 N6 O19 V0.9999 -","- C84 H36 Mg4.0002 N12 O38 V1.9998 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.1229","0.1016","","","0.3266","0.3425","","","","","","1.358","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547974","16.9065","0.0005","16.9065","0.0005","14.7154","0.001","90","","90","","120","","3642.6","0.3","296","2","296","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C42 H22 Mg2 N9 O19 V -","- C42 H12 Mg2.0001 N9 O19 V0.9999 -","- C84 H24 Mg4.0002 N18 O38 V1.9998 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.1145","0.0942","","","0.2657","0.2816","","","","","","1.03","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547975","16.8599","0.0012","16.8599","0.0012","14.882","0.003","90","","90","","120","","3663.5","0.8","200","2","200","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C54 H31 Mg2 N6 O13 V -","- C54 H12 Mg2.0001 N6 O13 V0.9999 -","- C108 H24 Mg4.0002 N12 O26 V1.9998 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.1364","0.1244","","","0.3459","0.3663","","","","","","1.019","","","","has coordinates,has disorder","288476","2023-12-21","15:26:11",""
"1547976","16.7913","0.0002","16.7913","0.0002","20.6558","0.0005","90","","90","","120","","5043.61","0.15","200","2","200","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C54 H31 Mg2 N6 O13 V -","- C57 H30 Mg2.0001 N6 O13 V0.9999 -","- C114 H60 Mg4.0002 N12 O26 V1.9998 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.1207","0.0807","","","0.226","0.2473","","","","","","1.018","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547977","16.9671","0.0005","16.9671","0.0005","15.3079","0.001","90","","90","","120","","3816.5","0.3","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C44 H33 Mg3 N7 O19 -","- C42 H18 Mg3 N6 O19 -","- C84 H36 Mg6 N12 O38 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.0581","0.0431","","","0.1076","0.1126","","","","","","1.033","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547978","16.9886","0.0016","16.9886","0.0016","15.108","0.003","90","","90","","120","","3776.2","0.9","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C44 H33 Mg3 N7 O16 -","- C42 H15 Mg3 N6 O16 -","- C84 H30 Mg6 N12 O32 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.0722","0.0512","","","0.1381","0.1462","","","","","","1.053","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547979","17.0231","0.0011","17.0231","0.0011","14.947","0.003","90","","90","","120","","3751.1","0.8","296","2","296","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C44 H33 Mg3 N7 O13 -","- C42 H24 Mg3 N6 O13 -","- C84 H48 Mg6 N12 O26 -","2","0.0833333","","Quan-Guo Zhai; Xianhui Bu; Chengyu Mao; Xiang Zhao; Luke Daemen; Yongqiang Cheng; Anibal J. Ramirez-Cuesta; Pingyun Feng","An ultra-tunable platform for molecular engineering of high-performance crystalline porous materials","Nature Communications","2016","7","","13645","","10.1038/ncomms13645","","","0.71073","MoKα","","0.075","0.0487","","","0.1235","0.132","","","","","","1.005","","","","has coordinates","288476","2023-12-21","15:26:11",""
"1547980","25.9071","0.0008","9.1614","0.0003","16.4713","0.0004","90","","100.956","0.001","90","","3838.1","0.2","100","1","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 N4 Ni O6 P2 -","- C16 H20 N4 Ni O6 P2 -","- C128 H160 N32 Ni8 O48 P16 -","8","1","","Victoria E. Campbell; Monica Tonelli; Irene Cimatti; Jean-Baptiste Moussy; Ludovic Tortech; Yannick J. Dappe; Eric Riviere; Regis Guillot; Sophie Delprat; Richard Mattana; Pierre Seneor; Philippe Ohresser; Fadi Choueikani; Edwige Otero; Florian Koprowiak; Vijay Gopal Chilkuri; Nicolas Suaud; Nathalie Guihery; Anouk Galtayries; Frederic Miserque; Marie-Anne Arrio; Philippe Sainctavit; Talal Mallah","Engineering the magnetic coupling and anisotropy at the molecule-magnetic surface interface in molecular spintronic devices","Nature Communications","2016","7","","13646","","10.1038/ncomms13646","","x-ray","0.71073","MoKα","","0.0728","0.054","","","0.1274","0.1401","","","","","","1.036","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1547981","26.378","0.0013","9.059","0.0004","16.5517","0.0007","90","","102.286","0.001","90","","3864.6","0.3","100","1","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Co N4 O6 P2 -","- C16 H20 Co N4 O6 P2 -","- C128 H160 Co8 N32 O48 P16 -","8","1","","Victoria E. Campbell; Monica Tonelli; Irene Cimatti; Jean-Baptiste Moussy; Ludovic Tortech; Yannick J. Dappe; Eric Riviere; Regis Guillot; Sophie Delprat; Richard Mattana; Pierre Seneor; Philippe Ohresser; Fadi Choueikani; Edwige Otero; Florian Koprowiak; Vijay Gopal Chilkuri; Nicolas Suaud; Nathalie Guihery; Anouk Galtayries; Frederic Miserque; Marie-Anne Arrio; Philippe Sainctavit; Talal Mallah","Engineering the magnetic coupling and anisotropy at the molecule-magnetic surface interface in molecular spintronic devices","Nature Communications","2016","7","","13646","","10.1038/ncomms13646","","x-ray","0.71073","MoKα","","0.0951","0.0524","","","0.1117","0.1299","","","","","","1.031","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1547982","16.43","0.03","10.012","0.015","44.3","0.09","90","","95.65","0.08","90","","7252","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C77 H59 N7 O4 -","- C75.5 H57.75 N7 O4 -","- C302 H231 N28 O16 -","4","2","","Georgios Charalambidis; Evangelos Georgilis; Manas K. Panda; Christopher E. Anson; Annie K. Powell; Stephen Doyle; David Moss; Tobias Jochum; Peter N. Horton; Simon J. Coles; Mathieu Linares; David Beljonne; Jean-Valere Naubron; Jonas Conradt; Heinz Kalt; Anna Mitraki; Athanassios G. Coutsolelos; Teodor Silviu Balaban","A switchable self-assembling and disassembling chiral system based on a porphyrin-substituted phenylalanine-phenylalanine motif","Nature Communications","2016","7","","12657","","10.1038/ncomms12657","","","0.6889","","","0.5577","0.3323","","","0.5374","0.6531","","","","","","1.586","","","","has coordinates,has disorder","203071","2020-10-21","18:00:00",""
"1547983","28.8117","0.0004","29.9302","0.0004","54.0382","0.0005","79.591","0.001","86.179","0.001","83.426","0.0012","45480.7","1","100","","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C664 H852 Ag136.45 Cl3 P S64 -","- C664 H852 Ag136.45 Cl3 P S64 -","- C1328 H1704 Ag272.9 Cl6 P2 S128 -","2","1","","Huayan Yang; Yu Wang; Xi Chen; Xiaojing Zhao; Lin Gu; Huaqi Huang; Juanzhu Yan; Chaofa Xu; Gang Li; Junchao Wu; Alison J. Edwards; Birger Dittrich; Zichao Tang; Dongdong Wang; Lauri Lehtovaara; Hannu Hakkinen; Nanfeng Zheng","Plasmonic twinned silver nanoparticles with molecular precision","Nature Communications","2016","7","","12809","","10.1038/ncomms12809","","","1.54184","CuKα","","0.0994","0.0836","","0.1006","0.0953","0.0916","","","","","","1.1318","","","","has coordinates,has disorder","203072","2020-10-21","18:00:00",""
"1547984","67.3343","0.0006","67.3343","0.0006","188.5858","0.0017","90","","90","","120","","740478","11","100","1","100","1","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C1130 H1469 Ag374 Br2 Cl2 S113 -","- C1130 H1469 Ag380 Br2 Cl2 S113 -","- C20340 H26442 Ag6840 Br36 Cl36 S2034 -","18","0.5","","Huayan Yang; Yu Wang; Xi Chen; Xiaojing Zhao; Lin Gu; Huaqi Huang; Juanzhu Yan; Chaofa Xu; Gang Li; Junchao Wu; Alison J. Edwards; Birger Dittrich; Zichao Tang; Dongdong Wang; Lauri Lehtovaara; Hannu Hakkinen; Nanfeng Zheng","Plasmonic twinned silver nanoparticles with molecular precision","Nature Communications","2016","7","","12809","","10.1038/ncomms12809","","","1.54184","CuKα","","0.1307","0.0951","","","0.2846","0.3317","","","","","","1.329","","","","has coordinates,has disorder","203073","2020-10-21","18:00:00",""
"1547985","5.6324","0.0003","26.1594","0.0016","9.3139","0.0005","90","","105.68","0.0019","90","","1321.25","0.13","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H15 N O2 S -","- C15 H15 N O2 S -","- C60 H60 N4 O8 S4 -","4","2","","Lili Zong; Chao Wang; Adhitya Mangala Putra Moeljadi; Xinyi Ye; Rakesh Ganguly; Yongxin Li; Hajime Hirao; Choon-Hong Tan","Bisguanidinium dinuclear oxodiperoxomolybdosulfate ion pair-catalyzed enantioselective sulfoxidation","Nature Communications","2016","7","","13455","","10.1038/ncomms13455","","","0.71073","MoKα","","0.0528","0.0446","","","0.0925","0.0968","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547986","9.9398","0.0008","30.471","0.003","17.5604","0.0015","90","","97.837","0.003","90","","5268.9","0.8","103","2","103","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C104 H148 Mo2 N8 O17 S -","- C104 H148 Mo2 N8 O17 S -","- C208 H296 Mo4 N16 O34 S2 -","2","1","","Lili Zong; Chao Wang; Adhitya Mangala Putra Moeljadi; Xinyi Ye; Rakesh Ganguly; Yongxin Li; Hajime Hirao; Choon-Hong Tan","Bisguanidinium dinuclear oxodiperoxomolybdosulfate ion pair-catalyzed enantioselective sulfoxidation","Nature Communications","2016","7","","13455","","10.1038/ncomms13455","","","0.71073","MoKα","","0.1283","0.0715","","","0.136","0.1585","","","","","","1.008","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1547987","5.279","0.0005","11.5315","0.0008","23.4325","0.0019","90","","90","","90","","1426.4","0.2","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 Cl O3 S -","- C13 H17 Cl O3 S -","- C52 H68 Cl4 O12 S4 -","4","1","","Lili Zong; Chao Wang; Adhitya Mangala Putra Moeljadi; Xinyi Ye; Rakesh Ganguly; Yongxin Li; Hajime Hirao; Choon-Hong Tan","Bisguanidinium dinuclear oxodiperoxomolybdosulfate ion pair-catalyzed enantioselective sulfoxidation","Nature Communications","2016","7","","13455","","10.1038/ncomms13455","","","0.71073","MoKα","","0.0434","0.0377","","","0.0785","0.0808","","","","","","1.08","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1547988","26.8296","0.0016","9.6925","0.0005","10.5106","0.0006","90","","101.233","0.0019","90","","2680.9","0.3","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H15 Br O3 S -","- C12 H15 Br O3 S -","- C96 H120 Br8 O24 S8 -","8","4","","Lili Zong; Chao Wang; Adhitya Mangala Putra Moeljadi; Xinyi Ye; Rakesh Ganguly; Yongxin Li; Hajime Hirao; Choon-Hong Tan","Bisguanidinium dinuclear oxodiperoxomolybdosulfate ion pair-catalyzed enantioselective sulfoxidation","Nature Communications","2016","7","","13455","","10.1038/ncomms13455","","","0.71073","MoKα","","0.1706","0.062","","","0.0935","0.1213","","","","","","0.949","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1547989","9.98","0.0004","10.9599","0.0004","21.0009","0.0008","75.729","0.001","78.004","0.001","71.392","0.001","2088.84","0.14","122","2","122.15","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H44 F6 Ir O2 P2 -","- C48 H44 F6 Ir O2 P2 -","- C96 H88 F12 Ir2 O4 P4 -","2","1","","Kasper S. Pedersen; Jesper Bendix; Alain Tressaud; Etienne Durand; Hogni Weihe; Zaher Salman; Thorbjorn J Morsing; Daniel N. Woodruff; Yanhua Lan; Wolfgang Wernsdorfer; Corine Mathoniere; Stergios Piligkos; Sophia I. Klokishner; Serghei Ostrovsky; Katharina Ollefs; Fabrice Wilhelm; Andrei Rogalev; Rodolphe Clerac","Iridates from the molecular side","Nature Communications","2016","7","","12195","","10.1038/ncomms12195","","","0.71073","MoKα","","0.023","0.0187","","","0.0409","0.0419","","","","","","1.063","","","","has coordinates","203078","2020-10-21","18:00:00",""
"1547990","12.4516","0.0004","12.4516","0.0004","8.1424","0.0003","90","","90","","90","","1262.42","0.07","122","1","122","1","","","","","","","","6","P 42/n","-P 4bc","86","","","","- C5 H6 F1.5 Ir0.25 N2 Zn0.25 -","- C5 H6 F1.5 Ir0.25 N2 Zn0.25 -","- C40 H48 F12 Ir2 N16 Zn2 -","8","","","Kasper S. Pedersen; Jesper Bendix; Alain Tressaud; Etienne Durand; Hogni Weihe; Zaher Salman; Thorbjorn J Morsing; Daniel N. Woodruff; Yanhua Lan; Wolfgang Wernsdorfer; Corine Mathoniere; Stergios Piligkos; Sophia I. Klokishner; Serghei Ostrovsky; Katharina Ollefs; Fabrice Wilhelm; Andrei Rogalev; Rodolphe Clerac","Iridates from the molecular side","Nature Communications","2016","7","","12195","","10.1038/ncomms12195","","","0.71073","MoKα","","0.0252","0.0134","","","0.0297","0.0349","","","","","","1.0337","","","","has coordinates","203079","2020-10-21","18:00:00",""
"1547991","10.0669","0.0009","10.1893","0.0009","11.8996","0.0011","93.574","0.003","99.116","0.003","115.451","0.003","1076.51","0.17","122","2","122","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H40 Cl6 Ir P2 -","- C48 H40 Cl6 Ir P2 -","- C48 H40 Cl6 Ir P2 -","1","0.5","","Kasper S. Pedersen; Jesper Bendix; Alain Tressaud; Etienne Durand; Hogni Weihe; Zaher Salman; Thorbjorn J Morsing; Daniel N. Woodruff; Yanhua Lan; Wolfgang Wernsdorfer; Corine Mathoniere; Stergios Piligkos; Sophia I. Klokishner; Serghei Ostrovsky; Katharina Ollefs; Fabrice Wilhelm; Andrei Rogalev; Rodolphe Clerac","Iridates from the molecular side","Nature Communications","2016","7","","12195","","10.1038/ncomms12195","","","0.71073","MoKα","","0.0128","0.0127","","","0.033","0.0331","","","","","","1.056","","","","has coordinates","203080","2020-10-21","18:00:00",""
"1547993","32.757","0.002","34.249","0.002","31.088","0.002","90","","90","","90","","34877","4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H138.5 N12 O51.25 S6 -","- C48 H84 N12 O51.25 S6 -","- C768 H1344 N192 O820 S96 -","16","1","","Ming Liu; Linjiang Chen; Scott Lewis; Samantha Y. Chong; Marc A. Little; Tom Hasell; Iain M. Aldous; Craig M. Brown; Martin W. Smith; Carole A. Morrison; Laurence J. Hardwick; Andrew I. Cooper","Three-dimensional protonic conductivity in porous organic cage solids","Nature Communications","2016","7","","12750","","10.1038/ncomms12750","","x-ray","0.71073","MoKα","","0.0684","0.066","","","0.1824","0.1854","","","","","","1.057","","","","has coordinates,has disorder","203107","2020-10-21","18:00:00",""
"1547994","32.848","0.006","34.298","0.006","31.413","0.005","90","","90","","90","","35391","11","293","","293","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H138.5 N12 O51.25 S6 -","- C48 H84 N12 O51.25 S6 -","- C768 H1344 N192 O820 S96 -","16","1","","Ming Liu; Linjiang Chen; Scott Lewis; Samantha Y. Chong; Marc A. Little; Tom Hasell; Iain M. Aldous; Craig M. Brown; Martin W. Smith; Carole A. Morrison; Laurence J. Hardwick; Andrew I. Cooper","Three-dimensional protonic conductivity in porous organic cage solids","Nature Communications","2016","7","","12750","","10.1038/ncomms12750","","x-ray","0.71073","MoKα","","0.1222","0.1051","","","0.2742","0.2909","","","","","","1.036","","","","has coordinates,has disorder","203108","2020-10-21","18:00:00",""
"1547995","20.2276","0.0015","20.2276","0.0015","32.016","0.003","90","","90","","90","","13099.5","1.8","100","","100","","","","","","","","","5","P 41","P 4w","76","","","","- C48 H91 Cl12 N12 O4 -","- C48 H84 Cl11.9999 N12 O4 -","- C384 H672 Cl95.9996 N96 O32 -","8","2","","Ming Liu; Linjiang Chen; Scott Lewis; Samantha Y. Chong; Marc A. Little; Tom Hasell; Iain M. Aldous; Craig M. Brown; Martin W. Smith; Carole A. Morrison; Laurence J. Hardwick; Andrew I. Cooper","Three-dimensional protonic conductivity in porous organic cage solids","Nature Communications","2016","7","","12750","","10.1038/ncomms12750","","x-ray","0.6889","","","0.0803","0.0751","","","0.1844","0.1911","","","","","","1.105","","","","has coordinates,has disorder","203109","2020-10-21","18:00:00",""
"1548007","22.313","0.004","26.967","0.005","12.873","0.003","90","","90","","90","","7746","3","123","2","123","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.1737","0.1373","","","0.3141","0.339","","","","","","1.074","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548008","22.143","0.005","26.947","0.006","12.88","0.003","90","","90","","90","","7685","3","123","2","123","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.1628","0.1475","","","0.3733","0.3849","","","","","","1.155","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548009","22.283","0.005","26.935","0.006","12.891","0.003","90","","90","","90","","7737","3","153","2","153","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.1542","0.1406","","","0.3611","0.3714","","","","","","1.17","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548010","22.39","0.005","26.954","0.006","12.88","0.003","90","","90","","90","","7773","3","173","2","183","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.1499","0.1362","","","0.3342","0.344","","","","","","1.122","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548011","22.519","0.005","26.938","0.006","12.867","0.003","90","","90","","90","","7805","3","213","2","213","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.161","0.143","","","0.3729","0.3862","","","","","","1.126","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548012","22.691","0.005","26.989","0.006","12.841","0.003","90","","90","","90","","7864","3","243","2","243","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.1542","0.1347","","","0.3316","0.3453","","","","","","1.176","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548013","22.819","0.006","27.035","0.007","12.839","0.003","90","","90","","90","","7921","3","273","2","273","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.1693","0.1438","","","0.3428","0.3594","","","","","","1.181","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548014","22.975","0.005","27.014","0.006","12.824","0.003","90","","90","","90","","7959","3","303","2","303","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.169","0.1384","","","0.3404","0.3604","","","","","","1.205","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548015","23.21","0.005","26.944","0.006","12.808","0.003","90","","90","","90","","8010","3","333","2","333","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.1713","0.1385","","","0.3228","0.3425","","","","","","1.182","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548016","23.552","0.006","26.838","0.007","12.801","0.003","90","","90","","90","","8091","4","363","2","363","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.2216","0.1867","","","0.409","0.4323","","","","","","1.213","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548017","23.966","0.008","26.5","0.008","12.776","0.004","90","","90","","90","","8114","4","393","2","393","2","","","","","","","","4","C c c a","-C 2a 2ac","68","","","","- C20 H17 N2 O4 -","- C20 H15 N2 O4 -","- C320 H240 N32 O64 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.265","0.2317","","","0.4529","0.474","","","","","","1.278","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1548018","17.856","0.006","17.856","0.006","12.787","0.007","90","","90","","90","","4077","3","438","2","438","2","","","","","","","","4","P 42/n b c","-P 4ac 2b","133","C10 H8.50 N O2","","","- C10 H8.5 N O2 -","- C10 H8.5 N O2 -","- C160 H136 N16 O32 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.2123","0.1735","","","0.4425","0.4742","","","","","","0.913","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548019","17.491","0.009","17.491","0.009","12.915","0.007","90","","90","","90","","3951","4","303","2","303","2","","","","","","","","4","P 42/n b c","-P 4ac 2b","133","C10 H8.50 N O2","","","- C10 H8.5 N O2 -","- C10 H6.5 N O2 -","- C160 H104 N16 O32 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.3202","0.2921","","","0.6352","0.6533","","","","","","0.935","","","","has coordinates","203134","2020-10-21","18:00:00",""
"1548020","17.289","0.006","17.289","0.006","12.957","0.004","90","","90","","90","","3873","2","123","2","123","2","","","","","","","","4","P 42/n b c","-P 4ac 2b","133","C10 H8.50 N O2","","","- C10 H8.5 N O2 -","- C10 H6.5 N O2 -","- C160 H104 N16 O32 -","16","","","You-Gui Huang; Yoshihito Shiota; Ming-Yan Wu; Sheng-Qun Su; Zi-Shuo Yao; Soonchul Kang; Shinji Kanegawa; Guo-Ling Li; Shu-Qi Wu; Takashi Kamachi; Kazunari Yoshizawa; Katsuhiko Ariga; Mao-Chun Hong; Osamu Sato","Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework","Nature Communications","2016","7","","11564","","10.1038/ncomms11564","","","1.54178","CuKα","","0.3197","0.2856","","","0.5842","0.6084","","","","","","0.985","","","","has coordinates","203135","2020-10-21","18:00:00",""
"1548022","23.042","0.005","9.2011","0.0019","20.049","0.004","90","","116.718","0.004","90","","3796.8","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H36 N6 O10 Pt3 -","- C34 H36 N6 O10 Pt3 -","- C136 H144 N24 O40 Pt12 -","4","0.5","","Christopher H. Hendon; Aron Walsh; Norinobu Akiyama; Yosuke Konno; Takashi Kajiwara; Tasuku Ito; Hiroshi Kitagawa; Ken Sakai","One-dimensional Magnus-type platinum double salts","Nature Communications","2016","7","","11950","","10.1038/ncomms11950","","","0.71073","MoKα","","0.1263","0.0596","","","0.1269","0.1499","","","","","","0.905","","","","has coordinates","288183","2023-12-08","14:41:40",""
"1548023","18.7199","0.0006","9.6901","0.0003","23.7454","0.0008","90","","101.185","0.001","90","","4225.5","0.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H47 N6 O15.5 Pt3 -","- C34 H36 N6 O15.244 Pt3 -","- C136 H144 N24 O60.976 Pt12 -","4","1","","Christopher H. Hendon; Aron Walsh; Norinobu Akiyama; Yosuke Konno; Takashi Kajiwara; Tasuku Ito; Hiroshi Kitagawa; Ken Sakai","One-dimensional Magnus-type platinum double salts","Nature Communications","2016","7","","11950","","10.1038/ncomms11950","","","0.71073","MoKα","","0.07","0.0331","","","0.0607","0.0678","","","","","","0.911","","","","has coordinates,has disorder","203148","2020-10-21","18:00:00",""
"1548024","22.9917","0.0008","17.8912","0.0006","20.7881","0.0007","90","","102.477","0.001","90","","8349.2","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H88 N12 O28 Pt6 -","- C68 H72 N12 O28 Pt6 -","- C272 H288 N48 O112 Pt24 -","4","0.5","","Christopher H. Hendon; Aron Walsh; Norinobu Akiyama; Yosuke Konno; Takashi Kajiwara; Tasuku Ito; Hiroshi Kitagawa; Ken Sakai","One-dimensional Magnus-type platinum double salts","Nature Communications","2016","7","","11950","","10.1038/ncomms11950","","","0.71073","MoKα","","0.1143","0.0372","","","0.0552","0.0673","","","","","","0.815","","","","has coordinates,has disorder","288183","2023-12-08","14:41:53",""
"1548025","12.158","0.002","10.943","0.002","16.944","0.003","90","","93.548","0.004","90","","2250","0.7","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H50 N7 O20 Pt3 -","- C34 H36 N7.001 O20.002 Pt3 -","- C68 H72 N14.002 O40.004 Pt6 -","2","0.5","","Christopher H. Hendon; Aron Walsh; Norinobu Akiyama; Yosuke Konno; Takashi Kajiwara; Tasuku Ito; Hiroshi Kitagawa; Ken Sakai","One-dimensional Magnus-type platinum double salts","Nature Communications","2016","7","","11950","","10.1038/ncomms11950","","","0.71073","MoKα","","0.0352","0.0249","","","0.0497","0.0512","","","","","","0.873","","","","has coordinates,has disorder","203150","2020-10-21","18:00:00",""
"1548026","14.3496","0.0006","17.9265","0.0008","26.5741","0.0012","89.696","0.004","88.052","0.004","86.937","0.004","6822.1","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H111 B N4 O2 Si3 Th -","- C67 H111 B N4 O2 Si3 Th -","- C268 H444 B4 N16 O8 Si12 Th4 -","4","2","","Elizabeth P. Wildman; Gabor Balazs; Ashley J. Wooles; Manfred Scheer; Stephen T. Liddle","Thorium-phosphorus triamidoamine complexes containing Th-P single- and multiple-bond interactions","Nature Communications","2016","7","","12884","","10.1038/ncomms12884","","x-ray","0.71073","MoKα","","0.2352","0.2147","","","0.488","0.498","","","","","","1.248","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548027","18.6189","0.0005","22.6046","0.0007","22.2818","0.0005","90","","113.726","0.003","90","","8585.2","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H77 N4 P Si3 Th -","- C33 H77 N4 P Si3 Th -","- C264 H616 N32 P8 Si24 Th8 -","8","2","","Elizabeth P. Wildman; Gabor Balazs; Ashley J. Wooles; Manfred Scheer; Stephen T. Liddle","Thorium-phosphorus triamidoamine complexes containing Th-P single- and multiple-bond interactions","Nature Communications","2016","7","","12884","","10.1038/ncomms12884","","x-ray","0.71073","MoKα","","0.1171","0.0584","","","0.099","0.1192","","","","","","0.981","","","","has coordinates,has disorder","203152","2020-10-21","18:00:00",""
"1548028","13.5631","0.0005","21.2452","0.0007","23.4879","0.0008","90","","90","","90","","6768.1","0.4","150","2","150","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C56 H116 N4 Na O8 P Si3 Th -","- C56 H116 N4 Na O8 P Si3 Th -","- C224 H464 N16 Na4 O32 P4 Si12 Th4 -","4","1","","Elizabeth P. Wildman; Gabor Balazs; Ashley J. Wooles; Manfred Scheer; Stephen T. Liddle","Thorium-phosphorus triamidoamine complexes containing Th-P single- and multiple-bond interactions","Nature Communications","2016","7","","12884","","10.1038/ncomms12884","","x-ray","0.71073","MoKα","","0.051","0.0377","","","0.0621","0.0659","","","","","","1.01","","","","has coordinates","203153","2020-10-21","18:00:00",""
"1548029","13.8618","0.0004","15.2608","0.0005","22.2411","0.0006","96.043","0.002","91.075","0.002","98.324","0.002","4626.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H167 N8 P Si6 Th2 -","- C80 H167 N8 P Si6 Th2 -","- C160 H334 N16 P2 Si12 Th4 -","2","1","","Elizabeth P. Wildman; Gabor Balazs; Ashley J. Wooles; Manfred Scheer; Stephen T. Liddle","Thorium-phosphorus triamidoamine complexes containing Th-P single- and multiple-bond interactions","Nature Communications","2016","7","","12884","","10.1038/ncomms12884","","x-ray","0.71073","MoKα","","0.0732","0.0479","","","0.0808","0.0891","","","","","","1.07","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548030","23.1479","0.0007","17.4133","0.0005","26.4947","0.0009","90","","103.615","0.004","90","","10379.4","0.6","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C84 H187 N8 Na O9 P Si6 Th2 -","- C84 H187 N8 Na O9 P Si6 Th2 -","- C336 H748 N32 Na4 O36 P4 Si24 Th8 -","4","1","","Elizabeth P. Wildman; Gabor Balazs; Ashley J. Wooles; Manfred Scheer; Stephen T. Liddle","Thorium-phosphorus triamidoamine complexes containing Th-P single- and multiple-bond interactions","Nature Communications","2016","7","","12884","","10.1038/ncomms12884","","x-ray","0.71073","MoKα","","0.0923","0.0557","","","0.1075","0.1271","","","","","","1.045","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548031","18.4228","0.0013","21.7375","0.0013","20.5577","0.0013","90","","108.19","0.007","90","","7821.2","0.9","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C75 H134 B N5 O3 Si3 Th -","- C75 H134 B N5 O3 Si3 Th -","- C300 H536 B4 N20 O12 Si12 Th4 -","4","1","","Elizabeth P. Wildman; Gabor Balazs; Ashley J. Wooles; Manfred Scheer; Stephen T. Liddle","Thorium-phosphorus triamidoamine complexes containing Th-P single- and multiple-bond interactions","Nature Communications","2016","7","","12884","","10.1038/ncomms12884","","x-ray","1.54184","CuKα","","0.146","0.0888","","","0.1983","0.2472","","","","","","1.05","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548037","4.9205","0.001","11.812","0.002","14.637","0.003","99.369","0.007","93.376","0.007","98.82","0.007","826.4","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H50 N6 O9 -","- C30 H50 N6 O9 -","- C30 H50 N6 O9 -","1","1","","Tom Guterman; Micha Kornreich; Avigail Stern; Lihi Adler-Abramovich; Danny Porath; Roy Beck; Linda J. W. Shimon; Ehud Gazit","Formation of bacterial pilus-like nanofibres by designed minimalistic self-assembling peptides","Nature Communications","2016","7","","13482","","10.1038/ncomms13482","","","0.7","synchrotron","","0.0472","0.047","","","0.1255","0.1257","","","","","","1.029","","","","has coordinates,has disorder","203162","2020-10-21","18:00:00",""
"1548038","10.0403","0.0004","4.671","0.0001","15.6056","0.0007","90","","106.407","0.004","90","","702.07","0.05","150","2","150","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C24 H12 -","- C24 H12 -","- C48 H24 -","2","0.5","","Jason Potticary; Lui R. Terry; Christopher Bell; Alexandros N. Papanikolopoulos; Peter C. M. Christianen; Hans Engelkamp; Andrew M. Collins; Claudio Fontanesi; Gabriele Kociok-Kohn; Simon Crampin; Enrico Da Como; Simon R. Hall","An unforeseen polymorph of coronene by the application of magnetic fields during crystal growth","Nature Communications","2016","7","","11555","","10.1038/ncomms11555","","","1.54184","CuKα","","0.0531","0.0474","","","0.1309","0.1405","","","","","","1.044","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548039","10.3855","0.0012","3.8212","0.0003","17.2111","0.0018","90","","96.235","0.01","90","","678.98","0.12","80","2","80","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C24 H12 -","- C24 H12 -","- C48 H24 -","2","0.5","","Jason Potticary; Lui R. Terry; Christopher Bell; Alexandros N. Papanikolopoulos; Peter C. M. Christianen; Hans Engelkamp; Andrew M. Collins; Claudio Fontanesi; Gabriele Kociok-Kohn; Simon Crampin; Enrico Da Como; Simon R. Hall","An unforeseen polymorph of coronene by the application of magnetic fields during crystal growth","Nature Communications","2016","7","","11555","","10.1038/ncomms11555","","","1.54184","CuKα","","0.1043","0.0752","","","0.1913","0.2203","","","","","","1.008","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548040","11.6193","0.0005","5.5667","0.0002","22.9312","0.001","90","","100.897","0.004","90","","1456.47","0.11","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Ca O6 S Xe0.42 -","- C14 H8 Ca O6 S Xe0.421 -","- C56 H32 Ca4 O24 S4 Xe1.684 -","4","1","","Debasis Banerjee; Cory M. Simon; Anna M. Plonka; Radha K. Motkuri; Jian Liu; Xianyin Chen; Berend Smit; John B. Parise; Maciej Haranczyk; Praveen K. Thallapally","Metal-organic framework with optimally selective xenon adsorption and separation","Nature Communications","2016","7","","11831","","10.1038/ncomms11831","","","1.54184","CuKα","","0.0835","0.0703","","","0.2105","0.2231","","","","","","1.325","","","","has coordinates","203165","2020-10-21","18:00:00",""
"1548041","11.8819","0.0003","5.5555","0.0001","22.6411","0.0005","90","","101.302","0.002","90","","1465.55","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 Ca Kr0.15 O6 S -","- C14 H8 Ca Kr0.1496 O6 S -","- C56 H32 Ca4 Kr0.5984 O24 S4 -","4","1","","Debasis Banerjee; Cory M. Simon; Anna M. Plonka; Radha K. Motkuri; Jian Liu; Xianyin Chen; Berend Smit; John B. Parise; Maciej Haranczyk; Praveen K. Thallapally","Metal-organic framework with optimally selective xenon adsorption and separation","Nature Communications","2016","7","","11831","","10.1038/ncomms11831","","","0.71073","MoKα","","0.0518","0.0411","","","0.0993","0.1059","","","","","","0.997","","","","has coordinates","203166","2020-10-21","18:00:00",""
"1548042","22.3181","0.0005","23.1069","0.0004","22.5654","0.0006","90","","112.263","0.003","90","","10769.5","0.5","150.06","0.14","150.06","0.14","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H69 Co N3 O13 Ru2 -","- C45 H69 Co0.9999 N3 O13 Ru2.0001 -","- C360 H552 Co7.9992 N24 O104 Ru16.0008 -","8","2","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","","0.71073","MoKα","","0.0725","0.05","","","0.117","0.1295","","","","","","1.034","","","","has coordinates,has disorder","203167","2020-10-21","18:00:00",""
"1548043","11.466","0.0005","14.9252","0.0009","18.9394","0.0008","84.303","0.004","88.505","0.004","68.403","0.005","2998.5","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C46 H71 Cl2 Co F6 N3 O13 P Ru2 -","- C46 H71 Cl2 Co0.9999 F6 N3 O13 P Ru2.0001 -","- C92 H142 Cl4 Co1.9998 F12 N6 O26 P2 Ru4.0002 -","2","1","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","0.6889","","","0.1342","0.1192","","","0.3074","0.3372","","","","","","1.435","","","","has coordinates,has disorder","203168","2020-10-21","18:00:00",""
"1548044","24.8796","0.0005","24.8796","0.0005","96.7732","0.0016","90","","90","","120","","51876.7","1.7","100","2","100.15","","","","","","","","","9","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C209 H369 Co Cr14 F16 N5 Ni2 O77 Ru2 -","- C209 H369 Co0.9999 Cr14 F16 N5 Ni2 O77 Ru2.0001 -","- C1254 H2214 Co5.9994 Cr84 F96 N30 Ni12 O462 Ru12.0006 -","6","0.5","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","1.54184","CuKα","","0.1382","0.1276","","","0.3158","0.3266","","","","","","1.308","","","","has coordinates,has disorder","203169","2020-10-21","18:00:00",""
"1548045","19.3835","0.0003","27.6538","0.0004","29.1765","0.0006","76.822","0.0016","84.5616","0.0015","89.7001","0.0013","15156.9","0.5","100.15","","100.15","","","","","","","","","9","P -1","-P 1","2","","","","- C216 H347 Cl2 Co Cr14 F16 N9 Ni2 O72 -","- C224 H357 Cl Co Cr14 F16 N9 Ni2 O68 -","- C448 H714 Cl2 Co2 Cr28 F32 N18 Ni4 O136 -","2","1","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","0.6889","","","0.1586","0.105","","","0.3098","0.3574","","","","","","1.199","","","","has coordinates,has disorder","203170","2020-10-21","18:00:00",""
"1548046","56.308","0.003","16.4647","0.0003","30.7417","0.0009","90","","93.238","0.003","90","","28455","1.8","100","2","100.15","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C206 H330 Cl2 Co Cr14 F16 N8 Ni2 O72 -","- C206 H330 Cl2 Co Cr14 F16 N8 Ni2 O72 -","- C824 H1320 Cl8 Co4 Cr56 F64 N32 Ni8 O288 -","4","0.5","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","0.6889","","","0.1752","0.1272","","","0.3574","0.422","","","","","","1.301","","","","has coordinates,has disorder","203171","2020-10-21","18:00:00",""
"1548047","16.6948","0.0003","29.8156","0.0006","31.7036","0.0006","70.4222","0.0018","83.8761","0.0016","77.9945","0.0018","14531.7","0.5","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C189 H322 Co Cr14 F16 N8 Ni2 O65 S2 -","- C189 H322 Co Cr14 F16 N8 Ni2 O65 S2 -","- C378 H644 Co2 Cr28 F32 N16 Ni4 O130 S4 -","2","1","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","1.5418","CuKα","","0.0984","0.0697","","","0.1816","0.1984","","","","","","1.036","","","","has coordinates,has disorder","203172","2020-10-21","18:00:00",""
"1548048","40.103","0.002","9.0797","0.0004","21.8936","0.0012","90","","106.06","0.006","90","","7660.8","0.7","100","","100","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H27 B2 Co F8 N6 O7 -","- C34 H27 B2 Co F8 N6 O7 -","- C272 H216 B16 Co8 F64 N48 O56 -","8","1","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","1.54178","CuKα","","0.1321","0.0831","","","0.2314","0.2723","","","","","","1.02","","","","has coordinates,has disorder","203173","2020-10-21","18:00:00",""
"1548049","9.2332","0.0006","12.2853","0.0009","19.3386","0.0011","85.098","0.005","76.757","0.005","88.79","0.005","2127.5","0.2","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C44.5 H29 B2 Cl Co F8 N6 O4 -","- C44.5 H29 B2 Cl Co F8 N6 O4 -","- C89 H58 B4 Cl2 Co2 F16 N12 O8 -","2","1","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","1.54184","CuKα","","0.1357","0.1045","","","0.2864","0.3166","","","","","","1.04","","","","has coordinates","203174","2020-10-21","18:00:00",""
"1548050","16.7978","0.0004","31.2594","0.0011","24.9128","0.0009","90","","103.209","0.003","90","","12735.3","0.7","150.06","0.14","150.06","0.14","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C97 H161 Cr7.04 F8 N4 Ni0.96 O32 -","- C97 H161 Cr7.04 F8 N4 Ni0.96 O32 -","- C388 H644 Cr28.16 F32 N16 Ni3.84 O128 -","4","1","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","0.71073","MoKα","","0.0965","0.0569","","","0.1141","0.1341","","","","","","1.025","","","","has coordinates,has disorder","203175","2020-10-21","18:00:00",""
"1548051","30.5037","0.0019","16.5057","0.0005","32.2556","0.0019","90","","115.872","0.007","90","","14612.5","1.6","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C110 H173 Cr7 F8 N4 Ni O32 -","- C110 H173 Cr7 F8 N4 Ni O32 -","- C440 H692 Cr28 F32 N16 Ni4 O128 -","4","1","","Jesus Ferrando-Soria; Eufemio Moreno Pineda; Alessandro Chiesa; Antonio Fernandez; Samantha A. Magee; Stefano Carretta; Paolo Santini; Inigo J. Vitorica-Yrezabal; Floriana Tuna; Grigore A. Timco; Eric J.L. McInnes; Richard E.P. Winpenny","A modular design of molecular qubits to implement universal quantum gates","Nature Communications","2016","7","","11377","","10.1038/ncomms11377","","x-ray","1.54184","CuKα","","0.173","0.1191","","","0.3297","0.3876","","","","","","1.147","","","","has coordinates,has disorder","203176","2020-10-21","18:00:00",""
"1548075","10.9738","0.0004","11.9313","0.0004","12.6146","0.0006","118.021","0.003","108.361","0.004","96.476","0.003","1315.07","0.12","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C38 H80 As2 Ge2 K2 N6 O12 -","- C38 H80.0011 As2 Ge2 K2 N6 O12 -","- C38 H80.0011 As2 Ge2 K2 N6 O12 -","1","1","","Stefan Mitzinger; Lies Broeckaert; Werner Massa; Florian Weigend; Stefanie Dehnen","Understanding of multimetallic cluster growth","Nature Communications","2016","7","","10480","","10.1038/ncomms10480","","","0.71073","MoKα","","0.0494","0.0454","","","0.1157","0.1189","","","","","","1.076","","","","has coordinates,has disorder","203258","2020-10-21","18:00:00",""
"1548076","11.8653","0.0003","11.8653","0.0003","22.3848","0.0009","90","","90","","120","","2729.24","0.15","110","2","110","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","","","","- C36 H72 As2 Ge7 K2 N4 O12 -","- C36 H72 As2.0007 Ge6.9984 K2 N4 O12 -","- C72 H144 As4.0014 Ge13.9968 K4 N8 O24 -","2","0.166667","","Stefan Mitzinger; Lies Broeckaert; Werner Massa; Florian Weigend; Stefanie Dehnen","Understanding of multimetallic cluster growth","Nature Communications","2016","7","","10480","","10.1038/ncomms10480","","","0.71073","MoKα","","0.109","0.0521","","","0.0983","0.1048","","","","","","0.958","","","","has coordinates","203259","2020-10-21","18:00:00",""
"1548077","13.7543","0.0002","28.6077","0.0005","22.9845","0.0004","90","","92.489","0.001","90","","9035.4","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C68 H124 As4 Ge6 K3 N6 O18 Ta -","- C68 H124 As4 Ge6 K3 N6 O18 Ta -","- C272 H496 As16 Ge24 K12 N24 O72 Ta4 -","4","1","","Stefan Mitzinger; Lies Broeckaert; Werner Massa; Florian Weigend; Stefanie Dehnen","Understanding of multimetallic cluster growth","Nature Communications","2016","7","","10480","","10.1038/ncomms10480","","","0.71073","MoKα","","0.0562","0.0346","","","0.0795","0.0838","","","","","","0.884","","","","has coordinates,has disorder","203260","2020-10-21","18:00:00",""
"1548078","16.6082","0.0005","22.696","0.0008","23.9068","0.0008","94.96","0.003","94.036","0.003","91.402","0.003","8951.2","0.5","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C56 H116 As4.79 Ge8 K3 N8 O18 Ta -","- C47 H98.0001 As4.79065 Ge8.0004 K3 N7 O15 Ta -","- C188 H392.001 As19.1626 Ge32.0016 K12 N28 O60 Ta4 -","4","2","","Stefan Mitzinger; Lies Broeckaert; Werner Massa; Florian Weigend; Stefanie Dehnen","Understanding of multimetallic cluster growth","Nature Communications","2016","7","","10480","","10.1038/ncomms10480","","","0.71073","MoKα","","0.1187","0.0735","","","0.1838","0.1973","","","","","","0.991","","","","has coordinates","203261","2020-10-21","18:00:00",""
"1548079","27.6082","0.0004","23.0173","0.0004","24.3319","0.0004","90","","90","","90","","15462.1","0.4","173","","173","","","","","","","","Lab 312, RCS1, Imperial College London","5","A e a 2","A 2 -2ab","41","","Zn11Et10O4(DPPA)4","","- C68 H90 O12 P4 Zn11 -","- C68 H90 O12 P4 Zn11 -","- C544 H720 O96 P32 Zn88 -","8","1","","Sebastian D. Pike; Edward R. White; Milo S. P. Shaffer; Charlotte K. Williams","Simple phosphinate ligands access zinc clusters identified in the synthesis of zinc oxide nanoparticles","Nature Communications","2016","7","","13008","","10.1038/ncomms13008","","","0.71073","MoKα","","0.0443","0.0334","","0.0767","0.0719","0.0767","","","","","","0.9947","","","","has coordinates","203262","2020-10-21","18:00:00",""
"1548080","24.3886","0.0005","10.1308","0.0002","23.8034","0.0005","90","","110.684","0.002","90","","5502.2","0.2","173","","173","","","","","","","","RCS1 312 Imperial College London","5","C 1 2/c 1","-C 2yc","15","","Zn4Et4(DPPA)4","","- C56 H60 O8 P4 Zn4 -","- C56 H60 O8 P4 Zn4 -","- C224 H240 O32 P16 Zn16 -","4","0.5","","Sebastian D. Pike; Edward R. White; Milo S. P. Shaffer; Charlotte K. Williams","Simple phosphinate ligands access zinc clusters identified in the synthesis of zinc oxide nanoparticles","Nature Communications","2016","7","","13008","","10.1038/ncomms13008","","","0.71073","MoKα","","0.0374","0.0295","","0.0653","0.0618","0.0653","","","","","","0.9733","","","","has coordinates","203263","2020-10-21","18:00:00",""
"1548081","26.8366","0.0004","19.619","0.0003","18.5191","0.0003","90","","94.853","0.0014","90","","9715.5","0.3","173","","173","","","","","","","","RCS1 312 Imperial College London","5","P 1 21/c 1","-P 2ybc","14","","Zn4O(DMeOPPA)6","","- C98 H100 O25 P6 Zn4 -","- C98 H100 O25 P6 Zn4 -","- C392 H400 O100 P24 Zn16 -","4","1","","Sebastian D. Pike; Edward R. White; Milo S. P. Shaffer; Charlotte K. Williams","Simple phosphinate ligands access zinc clusters identified in the synthesis of zinc oxide nanoparticles","Nature Communications","2016","7","","13008","","10.1038/ncomms13008","","","0.71073","MoKα","","0.0599","0.0386","","0.0981","0.0844","0.098","","","","","","1.0132","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548082","18.0222","0.0003","27.3672","0.0004","24.9782","0.0004","90","","104.179","0.0018","90","","11944.4","0.3","173","","173","","","","","","","","RCS1 312 Imperial College London","5","P 1 21/c 1","-P 2ybc","14","","Zn6(OH)3(DPPA)9","","- C115 H101 O21 P9 Zn6 -","- C115 H101 O21 P9 Zn6 -","- C460 H404 O84 P36 Zn24 -","4","1","","Sebastian D. Pike; Edward R. White; Milo S. P. Shaffer; Charlotte K. Williams","Simple phosphinate ligands access zinc clusters identified in the synthesis of zinc oxide nanoparticles","Nature Communications","2016","7","","13008","","10.1038/ncomms13008","","","0.71073","MoKα","","0.0833","0.0449","","0.1015","0.0946","0.1015","","","","","","0.9335","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548083","18.9696","0.0003","19.3442","0.0003","35.8523","0.0007","100.397","0.0016","98.3638","0.0016","98.829","0.0015","12582.2","0.4","173","","173","","","","","","","","Lab 312, RCS1, Imperial Collegel London","6","P -1","-P 1","2","","Zn6B3O6(DPPA)9","","- C124 H122 B3 O28 P9 Zn6 -","- C124 H122 B3 O28 P9 Zn6 -","- C496 H488 B12 O112 P36 Zn24 -","4","2","","Sebastian D. Pike; Edward R. White; Milo S. P. Shaffer; Charlotte K. Williams","Simple phosphinate ligands access zinc clusters identified in the synthesis of zinc oxide nanoparticles","Nature Communications","2016","7","","13008","","10.1038/ncomms13008","","","1.54184","CuKα","","0.0451","0.0389","","0.1054","0.1006","0.1053","","","","","","0.9889","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548084","13.05","0.0002","13.05","0.0002","16.2992","0.0007","90","","90","","120","","2403.91","0.12","296","2","296","2","","","","","","","","5","P -3","-P 3","147","","","","- C51 H29 N3 O13 Zn3 -","- C51 H27 N3 O13 Zn3 -","- C102 H54 N6 O26 Zn6 -","2","0.333333","","Huajun He; En Ma; Yuanjing Cui; Jiancan Yu; Yu Yang; Tao Song; Chuan-De Wu; Xueyuan Chen; Banglin Chen; Guodong Qian","Polarized three-photon-pumped laser in a single MOF microcrystal","Nature Communications","2016","7","","11087","","10.1038/ncomms11087","","","0.71073","MoKα","","0.1279","0.0567","","","0.1294","0.1448","","","","","","1.019","","","","has coordinates","203267","2020-10-21","18:00:00",""
"1548085","37.092","0.002","15.8045","0.0002","22.2156","0.0012","90","","140.685","0.011","90","","8251","2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H150 Li2 N10 Si6 U2 -","- C66 H150 Li2 N10 Si6 U2 -","- C264 H600 Li8 N40 Si24 U8 -","4","0.5","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0257","0.0236","","","0.0586","0.0599","","","","","","1.035","","","","has coordinates","203269","2020-10-21","18:00:00",""
"1548086","13.8074","0.0007","23.2204","0.0019","26.3621","0.0015","90","","90","","90","","8452","0.9","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H150 K2 N10 Si6 U2 -","- C66 H150 K2 N10 Si6 U2 -","- C264 H600 K8 N40 Si24 U8 -","4","0.5","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0636","0.051","","","0.1286","0.1372","","","","","","1.059","","","","has coordinates","203270","2020-10-21","18:00:00",""
"1548087","13.7527","0.0003","23.1023","0.0005","26.7606","0.0004","90","","90","","90","","8502.4","0.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C66 H150 N10 Rb2 Si6 U2 -","- C66 H150 N10 Rb2 Si6 U2 -","- C264 H600 N40 Rb8 Si24 U8 -","4","0.5","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0364","0.0314","","","0.0805","0.0824","","","","","","0.98","","","","has coordinates","203271","2020-10-21","18:00:00",""
"1548088","22.76348","0.00012","17.0958","0.00009","22.50605","0.00012","90","","100.782","0.0005","90","","8603.83","0.08","120","2","120","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C66 H150 Cs2 N10 Si6 U2 -","- C66 H150 Cs2 N10 Si6 U2 -","- C264 H600 Cs8 N40 Si24 U8 -","4","0.5","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0396","0.0395","","","0.1031","0.1031","","","","","","1.074","","","","has coordinates,has disorder","203272","2020-10-21","18:00:00",""
"1548089","11.3428","0.0003","16.5053","0.0005","18.3155","0.0005","79.554","0.003","85.928","0.002","81.641","0.002","3332.79","0.17","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H115 K N5 O10 Si3 U -","- C53 H115 K N5 O10 Si3 U -","- C106 H230 K2 N10 O20 Si6 U2 -","2","1","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0349","0.0321","","","0.0803","0.0823","","","","","","1.044","","","","has coordinates,has disorder","203273","2020-10-21","18:00:00",""
"1548090","15.8741","0.0003","18.5622","0.0003","24.7397","0.0004","90","","104.27","0.0016","90","","7064.8","0.2","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H115 N5 O10 Rb Si3 U -","- C61 H115 N5 O10 Rb Si3 U -","- C244 H460 N20 O40 Rb4 Si12 U4 -","4","1","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0245","0.022","","","0.0526","0.054","","","","","","1.02","","","","has coordinates,has disorder","203274","2020-10-21","18:00:00",""
"1548091","16.09798","0.00019","18.4937","0.0002","24.5732","0.0003","90","","103.225","0.0012","90","","7121.71","0.15","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H115 Cs N5 O10 Si3 U -","- C61 H115 Cs N5 O10 Si3 U -","- C244 H460 Cs4 N20 O40 Si12 U4 -","4","1","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0667","0.0585","","","0.1422","0.1488","","","","","","1.025","","","","has coordinates,has disorder","203275","2020-10-21","18:00:00",""
"1548092","25.5519","0.0002","13.37345","0.00009","14.81292","0.0001","90","","90","","90","","5061.83","0.06","120","2","120","2","","","","","","","","7","P n 21 a","P -2ac -2n","33","","","","- C41 H91 Li N5 O4 Si3 U -","- C41 H91 Li N5 O4 Si3 U -","- C164 H364 Li4 N20 O16 Si12 U4 -","4","1","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0304","0.0285","","","0.0708","0.0728","","","","","","1.017","","","","has coordinates,has disorder","203276","2020-10-21","18:00:00",""
"1548093","23.7586","0.0003","23.7586","0.0003","23.7586","0.0003","90","","90","","90","","13411","0.3","120","2","120","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C52.5 H116.5 N5 O6 Rb Si3 U -","- C45 H99 N5 O6 Rb Si3 U -","- C360 H792 N40 O48 Rb8 Si24 U8 -","8","0.333333","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0816","0.0699","","","0.1987","0.212","","","","","","1.061","","","","has coordinates,has disorder","203277","2020-10-21","18:00:00",""
"1548094","14.5874","0.0004","13.7318","0.0003","28.4495","0.0008","90","","91.52","0.003","90","","5696.7","0.3","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H99 Cs N5 O6 Si3 U -","- C45 H99 Cs N5 O6 Si3 U -","- C180 H396 Cs4 N20 O24 Si12 U4 -","4","1","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.0535","0.0457","","","0.1204","0.1285","","","","","","1.025","","","","has coordinates","203278","2020-10-21","18:00:00",""
"1548095","11.83314","0.0001","22.09845","0.00018","22.8903","0.00019","90","","90","","90","","5985.68","0.09","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H99 K N5 O6 Si3 U -","- C53 H99 K N5 O6 Si3 U -","- C212 H396 K4 N20 O24 Si12 U4 -","4","1","","David M. King; Peter A. Cleaves; Ashley J. Wooles; Benedict M. Gardner; Nicholas F. Chilton; Floriana Tuna; William Lewis; Eric J. L. McInnes; Stephen T. Liddle","Molecular and electronic structure of terminal and alkali metal-capped uranium(V) nitride complexes","Nature Communications","2016","7","","13773","","10.1038/ncomms13773","","","1.54184","CuKα","","0.016","0.0158","","","0.0373","0.0374","","","","","","1.062","","","","has coordinates","203279","2020-10-21","18:00:00",""
"1548162","17.579","0.004","17.158","0.003","25.46","0.005","90","","101.8","0.03","90","","7517","3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C81 H65 Au4 B Cl3 F4 N P4 -","- C81 H65 Au4 B Cl3 F4 N P4 -","- C324 H260 Au16 B4 Cl12 F16 N4 P16 -","4","1","","Jun Yuan; Tingting Sun; Xin He; Ke An; Jun Zhu; Liang Zhao","Synthesis of tetra- and octa-aurated heteroaryl complexes towards probing aromatic indoliums","Nature Communications","2016","7","","11489","","10.1038/ncomms11489","","","0.710747","MoKα","","0.1437","0.1162","","","0.2724","0.3049","","","","","","1.205","","","","has coordinates","203480","2020-10-21","18:00:00",""
"1548163","17.519","0.004","19.67","0.004","20.326","0.004","76.07","0.03","81.79","0.03","72.44","0.03","6463","3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C69 H55 Au3 B Cl3 F4 N P3 -","- C69 H55 Au3 B Cl3 F4 N P3 -","- C276 H220 Au12 B4 Cl12 F16 N4 P12 -","4","2","","Jun Yuan; Tingting Sun; Xin He; Ke An; Jun Zhu; Liang Zhao","Synthesis of tetra- and octa-aurated heteroaryl complexes towards probing aromatic indoliums","Nature Communications","2016","7","","11489","","10.1038/ncomms11489","","","0.710747","MoKα","","0.0924","0.0755","","","0.1907","0.2037","","","","","","1.158","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1548164","10.506","0.002","16.748","0.003","19.375","0.004","67.55","0.03","89.98","0.03","89.81","0.03","3150.7","1.3","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C63 H56 Au3 B Cl3 F4 N P3 Si -","- C63 H56 Au3 B Cl3 F4 N P3 Si -","- C126 H112 Au6 B2 Cl6 F8 N2 P6 Si2 -","2","1","","Jun Yuan; Tingting Sun; Xin He; Ke An; Jun Zhu; Liang Zhao","Synthesis of tetra- and octa-aurated heteroaryl complexes towards probing aromatic indoliums","Nature Communications","2016","7","","11489","","10.1038/ncomms11489","","","0.710747","MoKα","","0.063","0.0579","","","0.1447","0.149","","","","","","1.092","","","","has coordinates","203482","2020-10-21","18:00:00",""
"1548165","13.435","0.003","15.565","0.003","35.747","0.007","90","","97.59","0.03","90","","7410","3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C156 H124 Au8 B2 Cl6 F8 N2 P8 -","- C156 H124 Au8 B2 Cl6 F8 N2 P8 -","- C312 H248 Au16 B4 Cl12 F16 N4 P16 -","2","0.5","","Jun Yuan; Tingting Sun; Xin He; Ke An; Jun Zhu; Liang Zhao","Synthesis of tetra- and octa-aurated heteroaryl complexes towards probing aromatic indoliums","Nature Communications","2016","7","","11489","","10.1038/ncomms11489","","","0.71073","MoKα","","0.087","0.0755","","","0.1966","0.2067","","","","","","1.161","","","","has coordinates,has disorder","203483","2020-10-21","18:00:00",""
"1548190","6.8269","0.0004","11.8121","0.0007","39.687","0.003","90","","90","","90","","3200.4","0.4","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2aS,4S,5'R,6aS,6bS,8aS,8bR,9S,10R,11aS,12aS,12bR)-5',6a,8a,9-tetramethyl-4-(4-p","","- C37 H54 O3 -","- C37 H54 O3 -","- C148 H216 O12 -","4","1","","Xi Lu; Bin Xiao; Zhenqi Zhang; Tianjun Gong; Wei Su; Jun Yi; Yao Fu; Lei Liu","Practical carbon?carbon bond formation from olefins through nickel-catalyzed reductive olefin hydrocarbonation","Nature Communications","2016","7","","11129","","10.1038/ncomms11129","","","1.54184","CuKα","","0.0721","0.0534","","","0.1236","0.145","","","","","","1.074","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548191","11.197","0.0001","11.9551","0.0001","14.1022","0.0002","90","","108.316","0.001","90","","1792.1","0.04","291","2","291","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(1S,2S,4S,5R)-2-((R)-quinolin-4-yl((trimethylsilyl)oxy)methyl)-5-(2-(1-tosylpipe","","- C34 H50 Cl N3 O4 S Si -","- C34 H50 Cl N3 O4 S Si -","- C68 H100 Cl2 N6 O8 S2 Si2 -","2","1","","Xi Lu; Bin Xiao; Zhenqi Zhang; Tianjun Gong; Wei Su; Jun Yi; Yao Fu; Lei Liu","Practical carbon?carbon bond formation from olefins through nickel-catalyzed reductive olefin hydrocarbonation","Nature Communications","2016","7","","11129","","10.1038/ncomms11129","","","1.54184","CuKα","","0.0866","0.0854","","","0.2767","0.2802","","","","","","1.085","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548192","28.9075","0.0003","29.7016","0.0002","78.032","0.0009","90","","90","","90","","66998.2","1.1","100","","100","","","","","","","","","8","P c a b","-P 2bc 2ac","61","","","","- C229.5 H354 Cr14 Cu F28 N4 Ni2 O70.5 -","- C229.5 H354 Cr14 Cu F28 N4 Ni2 O70.5 -","- C1836 H2832 Cr112 Cu8 F224 N32 Ni16 O564 -","8","1","","Antonio Fernandez; Jesus Ferrando-Soria; Eufemio Moreno Pineda; Floriana Tuna; Inigo J. Vitorica-Yrezabal; Christiane Knappke; Jakub Ujma; Christopher A. Muryn; Grigore A. Timco; Perdita E. Barran; Arzhang Ardavan; Richard E.P. Winpenny","Making hybrid [n]-rotaxanes as supramolecular arrays of molecular electron spin qubits","Nature Communications","2016","7","","10240","","10.1038/ncomms10240","","","1.54184","CuKα","","0.1588","0.1164","","","0.3052","0.3377","","","","","","1.025","","","","has coordinates,has disorder","203528","2020-10-21","18:00:00",""
"1548193","25.5047","0.0005","31.7138","0.0004","31.7614","0.0005","73.3116","0.0013","86.822","0.0014","78.9831","0.0014","24154.7","0.7","100","","100","","","","","","","","","9","P -1","-P 1","2","","","","- C336 H561 Co Cr21 F24 Fe2 N6 Ni3 O109 -","- C336 H561 Co0.9999 Cr21 F24 Fe2.0001 N6 Ni3 O109 -","- C672 H1122 Co1.9998 Cr42 F48 Fe4.0002 N12 Ni6 O218 -","2","1","","Antonio Fernandez; Jesus Ferrando-Soria; Eufemio Moreno Pineda; Floriana Tuna; Inigo J. Vitorica-Yrezabal; Christiane Knappke; Jakub Ujma; Christopher A. Muryn; Grigore A. Timco; Perdita E. Barran; Arzhang Ardavan; Richard E.P. Winpenny","Making hybrid [n]-rotaxanes as supramolecular arrays of molecular electron spin qubits","Nature Communications","2016","7","","10240","","10.1038/ncomms10240","","x-ray","0.6889","","","0.1133","0.0635","","","0.1597","0.1999","","","","","","0.995","","","","has coordinates,has disorder","203529","2020-10-21","18:00:00",""
"1548194","24.4826","0.0009","27.8069","0.0011","28.5719","0.0009","103.388","0.003","98.656","0.003","115.074","0.004","16443","1.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C518 H842 Cr28 Cu2 F32 N6 Ni4 O136 S2 -","- C518 H842 Cr28.16 Cu2 F32 N6 Ni4.16 O136 S2 -","- C518 H842 Cr28.16 Cu2 F32 N6 Ni4.16 O136 S2 -","1","0.5","","Antonio Fernandez; Jesus Ferrando-Soria; Eufemio Moreno Pineda; Floriana Tuna; Inigo J. Vitorica-Yrezabal; Christiane Knappke; Jakub Ujma; Christopher A. Muryn; Grigore A. Timco; Perdita E. Barran; Arzhang Ardavan; Richard E.P. Winpenny","Making hybrid [n]-rotaxanes as supramolecular arrays of molecular electron spin qubits","Nature Communications","2016","7","","10240","","10.1038/ncomms10240","","","1.54184","CuKα","","0.1572","0.0913","","","0.2478","0.2958","","","","","","1.023","","","","has coordinates","203530","2020-10-21","18:00:00",""
"1548195","17.4882","0.0005","31.3959","0.0007","57.0602","0.0015","78.323","0.002","84.724","0.002","89.6349","0.0019","30548.6","1.4","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C430 H719 Cr28 Cu F32 N8 Ni4 O134 S2 -","- C429.503 H718.078 Cr28 Cu0.9995 F32 N7.999 Ni4 O134 S2 -","- C859.006 H1436.16 Cr56 Cu1.999 F64 N15.998 Ni8 O268 S4 -","2","1","","Antonio Fernandez; Jesus Ferrando-Soria; Eufemio Moreno Pineda; Floriana Tuna; Inigo J. Vitorica-Yrezabal; Christiane Knappke; Jakub Ujma; Christopher A. Muryn; Grigore A. Timco; Perdita E. Barran; Arzhang Ardavan; Richard E.P. Winpenny","Making hybrid [n]-rotaxanes as supramolecular arrays of molecular electron spin qubits","Nature Communications","2016","7","","10240","","10.1038/ncomms10240","","x-ray","0.71073","MoKα","","0.229","0.1727","","","0.4375","0.4833","","","","","","1.462","","","","has coordinates,has disorder","203531","2020-10-21","18:00:00",""
"1548196","25.5619","0.0002","25.5619","0.0002","12.5769","0.0002","90","","90","","90","","8217.88","0.16","150","2","150","2","","","","","","","","6","P 41","P 4w","76","","","","- C41.5 H31 F12 N7 P2 Ru -","- C41.5 H31 F12 N7 P2 Ru -","- C332 H248 F96 N56 P16 Ru8 -","8","2","","Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su","Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules","Nature Communications","2016","7","","10487","","10.1038/ncomms10487","","","0.71073","MoKα","","0.0772","0.0678","","","0.1681","0.1759","","","","","","1.05","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548197","13.8114","0.0002","14.0525","0.0002","20.7957","0.0003","90","","90","","90","","4036.13","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H24 Cl2 N8 O15 Ru -","- C40 H24 Cl2 N8 O15 Ru -","- C160 H96 Cl8 N32 O60 Ru4 -","4","1","","Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su","Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules","Nature Communications","2016","7","","10487","","10.1038/ncomms10487","","","1.54178","CuKα","","0.0462","0.0438","","","0.1168","0.1195","","","","","","1.027","","","","has coordinates","203533","2020-10-21","18:00:00",""
"1548198","13.7734","0.0002","14.0148","0.0002","20.71","0.0003","90","","90","","90","","3997.68","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H18 Cl2 N8 O15 Ru -","- C40 H18 Cl2 N8 O15 Ru -","- C160 H72 Cl8 N32 O60 Ru4 -","4","1","","Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su","Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules","Nature Communications","2016","7","","10487","","10.1038/ncomms10487","","","1.54184","CuKα","","0.0424","0.0409","","","0.1069","0.1084","","","","","","1.032","","","","has coordinates,has disorder","203534","2020-10-21","18:00:00",""
"1548199","25.5802","0.0001","25.5802","0.0001","12.5709","0.0001","90","","90","","90","","8225.73","0.08","150","2","150","2","","","","","","","","6","P 43","P 4cw","78","","","","- C41.5 H31 F12 N7 P2 Ru -","- C41.5 H31 F12 N7 P2 Ru -","- C332 H248 F96 N56 P16 Ru8 -","8","2","","Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su","Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules","Nature Communications","2016","7","","10487","","10.1038/ncomms10487","","","0.71073","MoKα","","0.0509","0.0408","","","0.0996","0.1071","","","","","","1.025","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548200","32.2284","0.0004","32.2284","0.0004","38.2801","0.0007","90","","90","","90","","39760.4","1","150","2","150","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C512 H320 N120 O8 Pd6 Ru8 -","- C512 H320 N120 O8 Pd6 Ru8 -","- C1024 H640 N240 O16 Pd12 Ru16 -","2","0.125","","Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su","Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules","Nature Communications","2016","7","","10487","","10.1038/ncomms10487","","x-ray","1.54184","","","0.1199","0.0711","","","0.1898","0.2375","","","","","","1.008","","","","has coordinates","203537","2020-10-21","18:00:00",""
"1548201","32.5722","0.0006","32.5722","0.0006","38.7258","0.0009","90","","90","","90","","41086.1","1.4","150","2","150","2","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C512 H320 N120 O8 Pd6 Ru8 -","- C512 H320 N120 O8 Pd6 Ru8 -","- C1024 H640 N240 O16 Pd12 Ru16 -","2","0.125","","Kai Wu; Kang Li; Ya-Jun Hou; Mei Pan; Lu-Yin Zhang; Ling Chen; Cheng-Yong Su","Homochiral D4-symmetric metal-organic cages from stereogenic Ru(II) metalloligands for effective enantioseparation of atropisomeric molecules","Nature Communications","2016","7","","10487","","10.1038/ncomms10487","","x-ray","1.54184","CuKα","","0.1523","0.0913","","","0.2275","0.268","","","","","","1.038","","","","has coordinates","203538","2020-10-21","18:00:00",""
"1548202","12.153","0.002","15.986","0.003","18.29","0.003","90","","90","","90","","3553.3","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H52 Co N6 O8 S4 -","- C28 H52 Co N6 O8 S4 -","- C112 H208 Co4 N24 O32 S16 -","4","1","","Yvonne Rechkemmer; Frauke D. Breitgoff; Margarethe van der Meer; Mihail Atanasov; Michael Hakl; Milan Orlita; Petr Neugebauer; Frank Neese; Biprajit Sarkar; Joris van Slageren","A four-coordinate cobalt(II) single-ion magnet with coercivity and a very high energy barrier","Nature Communications","2016","7","","10467","","10.1038/ncomms10467","","","0.71073","MoKα","","0.0201","0.0193","","","0.0527","0.0531","","","","","","1.032","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548206","8.889","0.009","5.114","0.005","16.291","0.015","90","","100.396","0.016","90","","728.4","1.2","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Fe N2 O4 -","- C14 H18 Fe N2 O4 -","- C28 H36 Fe2 N4 O8 -","2","0.5","","Masanori Wakizaka; Takeshi Matsumoto; Ryota Tanaka; Ho-Chol Chang","Dehydrogenation of anhydrous methanol at room temperature by o-aminophenol-based photocatalysts","Nature Communicatons","2016","7","","12333","","10.1038/ncomms12333","","","0.71075","MoKα","","","0.0576","","","","0.1559","","","","","","1.194","","","","has coordinates","203543","2020-10-21","18:00:00",""
"1548207","9.665","0.006","9.683","0.006","12.954","0.007","82.699","0.015","80.834","0.013","89.75","0.015","1187","1.2","183","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Cu N2 O3 -","- C12 H12 Cu N2 O3 -","- C48 H48 Cu4 N8 O12 -","4","2","","Masanori Wakizaka; Takeshi Matsumoto; Ryota Tanaka; Ho-Chol Chang","Dehydrogenation of anhydrous methanol at room temperature by o-aminophenol-based photocatalysts","Nature Communicatons","2016","7","","12333","","10.1038/ncomms12333","","","0.71075","MoKα","","","0.0623","","","","0.1869","","","","","","1.075","","","","has coordinates","203544","2020-10-21","18:00:00",""
"1548253","9.19","0.001","30.098","0.003","10.4179","0.0011","90","","102.688","0.003","90","","2811.2","0.5","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H32 B2 N4 -","- C35 H32 B2 N4 -","- C140 H128 B8 N16 -","4","2","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.0926","0.0665","","","0.1485","0.1648","","","","","","1.009","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548254","7.4966","0.0007","14.1674","0.0014","26.033","0.002","90","","95.734","0.003","90","","2751.1","0.4","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31.5 H29 B2 Br N4 -","- C31.5 H29 B2 Br N4 -","- C126 H116 B8 Br4 N16 -","4","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.0992","0.0546","","","0.0985","0.1113","","","","","","1.064","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548255","7.5717","0.0011","13.808","0.002","27.35","0.004","90","","96.647","0.005","90","","2840.2","0.7","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 B2 Cl N5 O -","- C31 H32 B2 Cl N5 O -","- C124 H128 B8 Cl4 N20 O4 -","4","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.137","0.0695","","","0.1359","0.1643","","","","","","1.024","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548256","6.7243","0.0002","8.4506","0.0004","9.7798","0.0004","76.647","0.003","85.978","0.002","66.7788","0.0019","496.77","0.04","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 B2 Cl2 N4 -","- C20 H20 B2 Cl2 N4 -","- C20 H20 B2 Cl2 N4 -","1","0.5","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.0722","0.0475","","","0.1146","0.1259","","","","","","1.025","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548257","28.875","0.004","8.473","0.0015","19.549","0.003","90","","132.202","0.004","90","","3543","1","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 B2 N4 -","- C20 H20 B2 N4 -","- C160 H160 B16 N32 -","8","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.0913","0.0538","","","0.1094","0.1261","","","","","","1.015","","","","has coordinates","203690","2020-10-21","18:00:00",""
"1548258","7.2251","0.0007","14.5333","0.0012","22.5468","0.0019","90","","91.921","0.005","90","","2366.2","0.4","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 B2 F3 N4 O3 S -","- C22 H23 B2 F3 N4 O3 S -","- C88 H92 B8 F12 N16 O12 S4 -","4","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.1568","0.0757","","","0.1838","0.2325","","","","","","1.016","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548259","29.987","0.003","7.0147","0.0007","25.999","0.003","90","","110.164","0.004","90","","5133.7","0.9","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H33 B3 N4 O2 -","- C26 H33 B3 N4 O2 -","- C208 H264 B24 N32 O16 -","8","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.1059","0.0544","","","0.1129","0.1375","","","","","","1.019","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548260","20.534","0.008","18.455","0.007","7.417","0.003","90","","94.979","0.009","90","","2800.1","1.9","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 B2 N4 Si -","- C32 H32 B2 N4 Si -","- C128 H128 B8 N16 Si4 -","4","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.1793","0.0752","","","0.1387","0.1811","","","","","","0.989","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548261","8.115","0.0008","13.162","0.0013","16.232","0.0016","106.603","0.003","102.639","0.003","104.799","0.003","1524.6","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H32 B2 F2 N4 P -","- C35 H32 B2 F2 N4 P -","- C70 H64 B4 F4 N8 P2 -","2","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.1264","0.0635","","","0.1222","0.1462","","","","","","1.037","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548262","15.071","0.005","8.378","0.003","14.966","0.005","90","","90","","90","","1889.7","1.1","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H20 B2 N4 O2 -","- C21 H20 B2 N4 O2 -","- C84 H80 B8 N16 O8 -","4","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.2159","0.0847","","","0.146","0.1894","","","","","","1.013","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548263","8.2613","0.0014","23.616","0.004","12.724","0.003","90","","106.778","0.005","90","","2376.8","0.8","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 B2 N4 -","- C28 H28 B2 N4 -","- C112 H112 B8 N16 -","4","1","","Baolin Wang; Yongxin Li; Rakesh Ganguly; Hajime Hirao; Rei Kinjo","Ambiphilic boron in 1,4,2,5-diazadiborinine","Nature Communications","2016","7","","11871","","10.1038/ncomms11871","","","0.71073","MoKα","","0.1287","0.063","","","0.1307","0.1594","","","","","","1.008","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548364","9.7625","0.0004","10.5921","0.0003","14.2369","0.0005","76.453","0.003","73.12","0.003","67.988","0.003","1292.94","0.09","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H21 N4 O3 Pd -","- C31 H21 N4 O3 Pd -","- C62 H42 N8 O6 Pd2 -","2","1","","Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi","Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis","Nature Communications","2016","7","","12901","","10.1038/ncomms12901","","","0.71073","MoKα","","0.057","0.0508","","","0.1118","0.1143","","","","","","1.194","","","","has coordinates,has disorder","203927","2020-10-21","18:00:00",""
"1548365","7.7318","0.0004","14.2451","0.0008","21.9203","0.0017","90","","90","","90","","2414.3","0.3","170.5","","170.5","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H23 N3 O5 -","- C29 H23 N3 O5 -","- C116 H92 N12 O20 -","4","1","","Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi","Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis","Nature Communications","2016","7","","12901","","10.1038/ncomms12901","","","0.71073","MoKα","","0.0591","0.0414","","","0.0932","0.1079","","","","","","1.124","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548366","7.6735","0.0005","14.4087","0.0011","21.653","0.002","90","","90","","90","","2394.1","0.3","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 N3 O5 -","- C28 H21 N3 O5 -","- C112 H84 N12 O20 -","4","1","","Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi","Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis","Nature Communications","2016","7","","12901","","10.1038/ncomms12901","","","0.71073","MoKα","","0.0558","0.04","","","0.0937","0.1024","","","","","","1.037","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548367","7.7205","0.0004","14.332","0.0009","22.282","0.001","90","","90","","90","","2465.5","0.2","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H22 F N3 O5 -","- C29 H22 F N3 O5 -","- C116 H88 F4 N12 O20 -","4","1","","Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi","Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis","Nature Communications","2016","7","","12901","","10.1038/ncomms12901","","","0.71073","MoKα","","0.0512","0.0369","","","0.0878","0.0983","","","","","","1.057","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548368","10.4773","0.0006","11.3275","0.0006","15.9059","0.0008","90","","90","","90","","1887.74","0.18","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N3 O5 -","- C22 H17 N3 O5 -","- C88 H68 N12 O20 -","4","1","","Gang Liao; Xue-Song Yin; Kai Chen; Qi Zhang; Shuo-Qing Zhang; Bing-Feng Shi","Stereoselective alkoxycarbonylation of unactivated C(sp3)-H bonds with alkyl chloroformates via Pd(II)/Pd(IV) catalysis","Nature Communications","2016","7","","12901","","10.1038/ncomms12901","","","0.71073","MoKα","","0.0441","0.0337","","","0.079","0.0847","","","","","","1.05","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548370","20.8082","0.0004","24.0721","0.0004","26.2995","0.0004","80.2288","0.0013","72.5101","0.0015","75.3058","0.0015","12090.9","0.4","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","(CCCC)-1&(AAAA)-1","","","- C228 H288 N12 -","- C228 H287.999 N12 -","- C456 H575.999 N24 -","2","1","","Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao","Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions","Nature Communications","2016","7","","12469","","10.1038/ncomms12469","","","1.54184","CuKα","","0.1089","0.0955","","","0.2889","0.3075","","","","","","1.098","","","","has coordinates,has disorder","203933","2020-10-21","18:00:00",""
"1548371","23.3017","0.0003","23.3017","0.0003","51.4329","0.0007","90","","90","","120","","24185","0.5","100","2","100.15","","","","","","","","","3","R 3","R 3","146","(AAAA)-2","","","- C252 H324 N12 -","- C252 H324 N12 -","- C756 H972 N36 -","3","","","Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao","Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions","Nature Communications","2016","7","","12469","","10.1038/ncomms12469","","","1.54178","CuKα","","0.1069","0.096","","","0.2428","0.2551","","","","","","0.982","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548372","23.1134","0.0009","23.1134","0.0009","52.322","0.003","90","","90","","120","","24207.1","1.9","100.01","0.1","100.01","0.1","","","","","","","","3","R 3","R 3","146","(CAAA)-2","","","- C252 H324 N12 -","- C252 H324 N12 -","- C756 H972 N36 -","3","","","Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao","Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions","Nature Communications","2016","7","","12469","","10.1038/ncomms12469","","","1.54184","CuKα","","0.0823","0.0696","","","0.1906","0.2059","","","","","","0.935","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548373","23.121","0.002","23.121","0.002","51.666","0.002","90","","90","","120","","23919","3","100.01","0.1","100.01","0.1","","","","","","","","3","R 3","R 3","146","(CCCC)-3","","","- C252 H324 N12 -","- C252 H324 N12 -","- C756 H972 N36 -","3","","","Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao","Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions","Nature Communications","2016","7","","12469","","10.1038/ncomms12469","","x-ray","1.54184","CuKα","","0.1038","0.0725","","","0.1663","0.185","","","","","","0.811","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548374","23.2072","0.0006","23.2072","0.0006","52.1786","0.0011","90","","90","","120","","24337.1","1","100.15","","100.15","","","","","","","","","3","R 3","R 3","146","(CCCA)-3","","","- C252 H324 N12 -","- C252 H324 N12 -","- C756 H972 N36 -","3","","","Xinchang Wang; Yu Wang; Huayan Yang; Hongxun Fang; Ruixue Chen; Yibin Sun; Nanfeng Zheng; Kai Tan; Xin Lu; Zhongqun Tian; Xiaoyu Cao","Assembled molecular face-rotating polyhedra to transfer chirality from two to three dimensions","Nature Communications","2016","7","","12469","","10.1038/ncomms12469","","","1.54184","CuKα","","0.0763","0.0646","","","0.1752","0.1855","","","","","","0.941","","","","has coordinates,has disorder","301779","2025-08-18","16:06:53",""
"1548412","10.0193","0.0005","11.4723","0.0006","10.4263","0.0005","90","","92.079","0.003","90","","1197.66","0.1","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","SBP-20160126","","","- C23 H26 N6 O6 S -","- C23 H26 N6 O6 S -","- C46 H52 N12 O12 S2 -","2","1","","Jonghoon Kim; Jinjoo Jung; Jaeyoung Koo; Wansang Cho; Won Seok Lee; Chanwoo Kim; Wonwoo Park; Seung Bum Park","Diversity-oriented synthetic strategy for developing a chemical modulator of protein-protein interaction","Nature Communications","2016","7","","13196","","10.1038/ncomms13196","","","0.71073","","","0.317","0.138","","","0.2464","0.3164","","","","","","1.07","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548448","11.5577","0.0005","16.8408","0.0007","24.6521","0.0009","90","","90","","90","","4798.3","0.3","","","293.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H40 O5 Si -","- C25 H40 O5 Si -","- C200 H320 O40 Si8 -","8","1","","Jing Gong; Huan Chen; Xiao-Yu Liu; Zhi-Xiu Wang; Wei Nie; Yong Qin","Total synthesis of atropurpuran","Nature Communications","2016","7","","12183","","10.1038/ncomms12183","","x-ray","0.71073","MoKα","","0.0699","0.0479","","","0.1143","0.127","","","","","","1.037","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548469","4.7483","0.0005","4.7483","0.0005","13.665","0.001","90","","90","","120","","266.82","0.04","","","296","","","","","","","","","4","R -3 :H","-R 3","148","","","hemleyite","- Fe0.48 Mg0.52 O3 Si -","- Fe0.48 Mg0.52 O3 Si -","- Fe2.88 Mg3.12 O18 Si6 -","6","0.333333","","Luca Bindi; Ming Chen; Xiande Xie","Discovery of the Fe-analogue of akimotoite in the shocked Suizhou L6 chondrite","Scientific Reports","2017","7","","42674","","10.1038/srep42674","","x-ray","0.71073","MoKα","","0.0892","0.0593","","","","","","","","","","","","","","has coordinates","204313","2020-10-21","18:00:00",""
"1548559","8.6489","0.0013","10.414","0.0015","27.136","0.004","90","","90","","90","","2444.1","0.6","140","2","140","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 Cl N2 O5 -","- C27 H25 Cl N2 O5 -","- C108 H100 Cl4 N8 O20 -","4","1","","Muneer Ahamed; Bun Chan; Paul Jensen; Matthew H. Todd","The Outcome of the Oxidations of Unusual Enediamide Motifs Is Governed by the Stabilities of the Intermediate Iminium Ions","Plos One","2012","7","","47224","","10.1371/journal.pone.0047224","","","0.71073","MoKα","","0.0685","0.0334","","","0.0366","0.0397","","","","","","0.934","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548560","10.449","0.002","15.744","0.002","10.855","0.002","90","","100.646","0.005","90","","1755","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","","Muneer Ahamed; Bun Chan; Paul Jensen; Matthew H. Todd","The Outcome of the Oxidations of Unusual Enediamide Motifs Is Governed by the Stabilities of the Intermediate Iminium Ions","Plos One","2012","7","","47224","","10.1371/journal.pone.0047224","","","0.71073","MoKα","","0.0591","0.0504","","","0.1324","0.1398","","","","","","1.043","","","","has coordinates","301779","2025-08-18","16:06:54",""
"1549624","16.408","0.003","8.6188","0.0015","21.365","0.004","90","","97.571","0.003","90","","2995","0.9","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 Cl0 N8 O0 S2 Zn -","- C30 H30 N8 S2 Zn -","- C120 H120 N32 S8 Zn4 -","4","1","","Fang, Yan; Li, Jie; Han, Pei-Pei; Han, Qiu-Xia; Li, Ming-Xue","Less toxic zinc(ii), diorganotin(iv), gallium(iii) and cadmium(ii) complexes derived from 2-benzoylpyridine <i>N</i>,<i>N</i>-dimethylthiosemicarbazone: synthesis, crystal structures, cytotoxicity and investigations of mechanisms of action.","Toxicology research","2018","7","5","987","993","10.1039/c8tx00127h","","","0.71073","MoKα","","0.0474","0.0353","","","0.1161","0.1243","","","","","","0.956","","","","has coordinates","230980","2020-10-21","18:00:00",""
"1549625","18.441","","8.936","","21.809","","90","","94.29","","90","","3583.81","","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Ga N9 O3 S2 -","- C30 H30 Ga N9 O3 S2 -","- C120 H120 Ga4 N36 O12 S8 -","4","1","","Fang, Yan; Li, Jie; Han, Pei-Pei; Han, Qiu-Xia; Li, Ming-Xue","Less toxic zinc(ii), diorganotin(iv), gallium(iii) and cadmium(ii) complexes derived from 2-benzoylpyridine <i>N</i>,<i>N</i>-dimethylthiosemicarbazone: synthesis, crystal structures, cytotoxicity and investigations of mechanisms of action.","Toxicology research","2018","7","5","987","993","10.1039/c8tx00127h","","","0.71073","MoKα","","0.226","0.143","","","0.3635","0.3933","","","","","","1.268","","","","has coordinates","230980","2020-10-21","18:00:00",""
"1549626","16.9715","0.001","23.6235","0.0015","15.9881","0.001","90","","102.867","0.001","90","","6249.1","0.7","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 Cd Cl0 N8 O0 S2 -","- C30 H30 Cd N8 S2 -","- C240 H240 Cd8 N64 S16 -","8","1","","Fang, Yan; Li, Jie; Han, Pei-Pei; Han, Qiu-Xia; Li, Ming-Xue","Less toxic zinc(ii), diorganotin(iv), gallium(iii) and cadmium(ii) complexes derived from 2-benzoylpyridine <i>N</i>,<i>N</i>-dimethylthiosemicarbazone: synthesis, crystal structures, cytotoxicity and investigations of mechanisms of action.","Toxicology research","2018","7","5","987","993","10.1039/c8tx00127h","","","0.71073","MoKα","","0.0366","0.0281","","","0.0708","0.0743","","","","","","1.06","","","","has coordinates","230980","2020-10-21","18:00:00",""
"1549627","17.15","0.02","10.549","0.013","16.45","0.02","90","","101.78","0.03","90","","2913","6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 N4 O2 S Sn -","- C29 H28 N4 O2 S Sn -","- C116 H112 N16 O8 S4 Sn4 -","4","1","","Fang, Yan; Li, Jie; Han, Pei-Pei; Han, Qiu-Xia; Li, Ming-Xue","Less toxic zinc(ii), diorganotin(iv), gallium(iii) and cadmium(ii) complexes derived from 2-benzoylpyridine <i>N</i>,<i>N</i>-dimethylthiosemicarbazone: synthesis, crystal structures, cytotoxicity and investigations of mechanisms of action.","Toxicology research","2018","7","5","987","993","10.1039/c8tx00127h","","","0.71073","MoKα","","0.0422","0.0297","","","0.0745","0.0795","","","","","","0.998","","","","has coordinates","230980","2020-10-21","18:00:00",""
"1551291","5.4525","","5.5819","","7.7663","","90","","90","","90","","236.37","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","Nd0.9Pb0.1FeO3","","","- Fe Nd0.9 O3 Pb0.1 -","- Fe Nd0.9 O3 Pb0.1 -","- Fe4 Nd3.6 O12 Pb0.4 -","4","0.5","","Kumar, S.; Pal, J.; Kaur, S.; Malhi, P.S.; Singh, M.; Babu, P.D.; Singh, A.","The structural and magnetic properties, non-Debye relaxation and hopping mechanism in PbxNd1-xFeO3 (where x = 0.1, 0.2 and 0.3) solid solutions","Journal of Asian Ceramic Societies","2019","7","","133","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","215777","2020-10-21","18:00:00",""
"1551292","5.4533","","5.5805","","7.7665","","90","","90","","90","","236.351","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","Nd0.7Pb0.3FeO3","","","- Fe Nd0.7 O3 Pb0.3 -","- Fe Nd0.7 O3 Pb0.3 -","- Fe4 Nd2.8 O12 Pb1.2 -","4","0.5","","Kumar, S.; Pal, J.; Kaur, S.; Malhi, P.S.; Singh, M.; Babu, P.D.; Singh, A.","The structural and magnetic properties, non-Debye relaxation and hopping mechanism in PbxNd1-xFeO3 (where x = 0.1, 0.2 and 0.3) solid solutions","Journal of Asian Ceramic Societies","2019","7","","133","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","215775","2020-10-21","18:00:00",""
"1551293","5.4532","","5.5807","","7.7663","","90","","90","","90","","236.349","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","Nd0.8Pb0.2FeO3","","","- Fe Nd0.8 O3 Pb0.2 -","- Fe Nd0.8 O3 Pb0.2 -","- Fe4 Nd3.2 O12 Pb0.8 -","4","0.5","","Kumar, S.; Pal, J.; Kaur, S.; Malhi, P.S.; Singh, M.; Babu, P.D.; Singh, A.","The structural and magnetic properties, non-Debye relaxation and hopping mechanism in PbxNd1-xFeO3 (where x = 0.1, 0.2 and 0.3) solid solutions","Journal of Asian Ceramic Societies","2019","7","","133","140","","","","","","","","","","","","","","","","","","","","","","has coordinates","215776","2020-10-21","18:00:00",""
"1551319","20.1798","0.0008","20.1798","0.0008","20.1798","0.0008","90","","90","","90","","8217.7","0.6","100","2","100","","","","","","","","","4","P 41 3 2","P 4bd 2ab 3","213","","","","- C30 H62 N8 O16 -","- C30 H36 N8 O16 -","- C240 H288 N64 O128 -","8","0.333333","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","","0.71075","MoKα","","0.0627","0.057","","","0.1809","0.1854","","","","","","1.48","","","","has coordinates","215816","2020-10-21","18:00:00",""
"1551320","23.6949","0.0013","13.4437","0.0007","18.9583","0.0011","90","","98.83","0.002","90","","5967.5","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C72 H69 N11 -","- C72 H65.7968 N11 -","- C288 H263.187 N44 -","4","0.5","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","","0.71073","MoKα","","0.0916","0.0702","","","0.1828","0.2027","","","","","","1.031","","","","has coordinates,has disorder","215817","2020-10-21","18:00:00",""
"1551321","20.792","0.004","20.792","0.004","45.156","0.009","90","","90","","120","","16906","6","400","","400","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- C216 H237 N35 -","- C216 H237 N35 -","- C648 H711 N105 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.710747","MoKα","K-L~3~","0.0925","0.0742","","","0.2008","0.229","","","","","","1.053","","","","has coordinates,has disorder","215818","2020-10-21","18:00:00",""
"1551322","20.804","0.003","20.804","0.003","45.126","0.007","90","","90","","120","","16914","4","400","2","450","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- C216 H237 N35 -","- C216 H234 N35 -","- C648 H702 N105 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.710747","MoKα","K-L~3~","0.0892","0.0678","","","0.1934","0.2233","","","","","","1.025","","","","has coordinates,has disorder","215819","2020-10-21","18:00:00",""
"1551323","20.4108","0.0007","20.4108","0.0007","44.6718","0.0017","90","","90","","120","","16117","1","100","","100","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- C216 H237 N35 -","- C216 H237 N35 -","- C648 H711 N105 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.71073","MoKα","","0.0524","0.0433","","","0.1164","0.1232","","","","","","1.057","","","","has coordinates,has disorder","215820","2020-10-21","18:00:00",""
"1551324","20.6365","0.0016","20.6365","0.0016","44.899","0.004","90","","90","","120","","16559","2","300","","300","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- C216 H237 N35 -","- C216 H237 N35 -","- C648 H711 N105 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.71073","MoKα","","0.0865","0.046","","","0.1236","0.1546","","","","","","1.081","","","","has coordinates,has disorder","215821","2020-10-21","18:00:00",""
"1551325","20.718","0.002","20.718","0.002","44.992","0.005","90","","90","","120","","16725","3","300","","300","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C218.02 H246.5 Cl1.5 N35 O1.5 -","- C218.02 H240.5 Cl1.5 N35 O0.84 -","- C654.06 H721.5 Cl4.5 N105 O2.52 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.71073","MoKα","","0.0963","0.0737","","","0.2022","0.2282","","","","","","1.055","","","","has coordinates,has disorder","215822","2020-10-21","18:00:00",""
"1551326","20.6071","0.0011","20.6071","0.0011","44.949","0.003","90","","90","","120","","16530.4","1.7","293","","293","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","","","- C216 H237 N35 -","- C216 H237 N35 -","- C648 H711 N105 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.6889","Synchrotron","","0.0798","0.0583","","","0.161","0.1801","","","","","","1.036","","","","has coordinates,has disorder","215823","2020-10-21","18:00:00",""
"1551327","20.5397","0.0011","20.5397","0.0011","44.747","0.003","90","","90","","120","","16348.7","1.7","100","","100","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C226 H268 Cl6 N35 O8 -","- C223.93 H260 Cl6 N35 O8.02 -","- C671.79 H780 Cl18 N105 O24.06 -","3","0.166667","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.71073","MoKα","","0.0745","0.0662","","","0.19","0.2001","","","","","","1.062","","","","has coordinates,has disorder","215824","2020-10-21","18:00:00",""
"1551328","21.7305","0.0017","19.737","0.0015","22.9973","0.0017","90","","105.506","0.002","90","","9504.4","1.3","100","","100","","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C80 H119 Cl2 N12 O9.5 -","- C79.75 H114 Cl1.75 N12 O9.5 -","- C319 H456 Cl7 N48 O38 -","4","1","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","","0.71073","MoKα","","0.0943","0.0869","","","0.2458","0.2563","","","","","","1.017","","","","has coordinates,has disorder","215825","2020-10-21","18:00:00",""
"1551329","21.644","0.0009","19.7822","0.0008","23.2696","0.0015","90","","105.704","0.001","90","","9591.4","0.8","100","","100","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C83 H137 N12 O15 -","- C83 H129 N12 O15 -","- C332 H516 N48 O60 -","4","1","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.71073","MoKα","","0.1234","0.1152","","","0.3264","0.3387","","","","","","1.6","","","","has coordinates,has disorder","215826","2020-10-21","18:00:00",""
"1551330","33.883","0.008","20.467","0.005","25.712","0.006","90","","95.249","0.008","90","","17756","7","300","2","300","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C72 H84 N12 -","- C72 H84 N12 -","- C576 H672 N96 -","8","2","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","","0.71073","MoKα","","0.1186","0.0907","","","0.2331","0.2673","","","","","","1.075","","","","has coordinates","301780","2025-08-18","21:43:23",""
"1551331","34.692","0.002","19.8867","0.0013","26.6702","0.0018","90","","93.334","0.002","90","","18369","2","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C155.5 H234 Cl N24 O21.5 -","- C155.5 H213 Cl N24 O21.375 -","- C622 H852 Cl4 N96 O85.5 -","4","1","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.710747","MoKα","K-L~3~","0.1071","0.0977","","","0.2645","0.2748","","","","","","1.052","","","","has coordinates,has disorder","215828","2020-10-21","18:00:00",""
"1551332","34.796","0.003","19.8984","0.0014","26.7636","0.0018","90","","93.452","0.002","90","","18497","2","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C154 H208.5 Cl9 N24 O11.75 -","- C154 H199 Cl9 N24 O11.75 -","- C616 H796 Cl36 N96 O47 -","4","1","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","","0.71073","MoKα","","0.1833","0.1641","","","0.4202","0.4368","","","","","","1.94","","","","has coordinates,has disorder","215829","2020-10-21","18:00:00",""
"1551333","15.8532","0.0007","15.8532","0.0007","33.088","0.002","90","","90","","120","","7201.7","0.6","100","","100","","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","","","- C108 H252 N24 O45 -","- C108 H162 N24 O45 -","- C216 H324 N48 O90 -","2","0.333333","","Marc A. Little; Michael E. Briggs; James T. A. Jones; Marc Schmidtmann; Tom Hasell; Samantha Y. Chong; Kim E. Jelfs; Linjiang Chen; Andrew I. Cooper","Trapping virtual pores by crystal retro-engineering","Nature Chemistry","2015","7","","153","159","10.1038/nchem.2156","","x-ray","0.71073","MoKα","","0.1342","0.1156","","","0.3141","0.3388","","","","","","1.426","","","","has coordinates,has disorder","288467","2023-12-21","09:11:23",""
"1551384","17.018","0.003","19.782","0.004","33.512","0.007","81.76","0.03","88.25","0.03","82.41","0.03","11067","4","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C206 H209 N40 O40 -","- C205.5 H208.5 N40.5 O40 -","- C411 H417 N81 O80 -","2","2","","Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc","Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose","Nature Chemistry","2015","7","","334","341","10.1038/nchem.2195","","","0.8","synchrotron","","0.2522","0.1217","","","0.2979","0.4099","","","","","","1.135","","","","has coordinates","275434","2022-05-16","05:31:56",""
"1551385","24.443","0.0006","21.3714","0.0005","46.5745","0.001","90","0.001","101.926","0.001","90","0.001","23804.5","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C206 H210 N40 O40 -","- C206 H210 N40 O40 -","- C824 H840 N160 O160 -","4","1","","Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc","Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose","Nature Chemistry","2015","7","","334","341","10.1038/nchem.2195","","","1.54178","CuKα","","0.2254","0.1677","","","0.4601","0.5103","","","","","","1.47","","","","has coordinates","215914","2020-10-21","18:00:00",""
"1551386","29.18","0.006","31.72","0.006","32.14","0.006","69.39","0.03","73.89","0.03","68.09","0.03","25465","11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C412 H420 N80 O82 -","- C412 H420 N80 O82 -","- C824 H840 N160 O164 -","2","1","","Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc","Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose","Nature Chemistry","2015","7","","334","341","10.1038/nchem.2195","","","0.78","synchrotronradiation","","0.1761","0.138","","","0.4015","0.4328","","","","","","1.706","","","","has coordinates","215915","2020-10-21","18:00:00",""
"1551387","20.683","","24.6762","0.0001","25.9639","0.0019","117.362","0.003","93.86","0.008","103.065","0.006","11237.4","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C205 H206 N40 O45 -","- C205 H206 N40 O40 -","- C410 H412 N80 O80 -","2","1","","Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc","Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose","Nature Chemistry","2015","7","","334","341","10.1038/nchem.2195","","","1.54148","CuKα","","0.2346","0.1719","","","0.4644","0.5136","","","","","","1.35","","","","has coordinates","215916","2020-10-21","18:00:00",""
"1551388","17.5372","0.0014","19.8099","0.0016","33.578","0.003","105.041","0.003","90.103","0.002","108.356","0.003","10648","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C188 H186 Cl0 F N36 O36 -","- C188 H186 F N36 O36 -","- C376 H372 F2 N72 O72 -","2","1","","Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc","Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose","Nature Chemistry","2015","7","","334","341","10.1038/nchem.2195","","","1.54178","CuKα","","0.1906","0.1538","","","0.3813","0.4228","","","","","","1.437","","","","has coordinates","215917","2020-10-21","18:00:00",""
"1551389","17.554","0.004","19.747","0.004","33.398","0.007","74.98","0.03","89.62","0.03","71.99","0.03","10600","5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C191 H189 Cl6 F2 N35 O36 -","- C191 H189 Cl6 F2 N35 O36 -","- C382 H378 Cl12 F4 N70 O72 -","2","1","","Nagula Chandramouli; Yann Ferrand; Guillaume Lautrette; Brice Kauffmann; Cameron David Mackereth; Michel Laguerre; Didier Dubreuil; Ivan Huc","Iterative design of a helically folded aromatic oligoamide sequence for the selective encapsulation of fructose","Nature Chemistry","2015","7","","334","341","10.1038/nchem.2195","","","0.85043","synchrotronradiationESRFFIP","","0.1571","0.1265","","","0.3559","0.379","","","","","","1.527","","","","has coordinates","215918","2020-10-21","18:00:00",""
"1551415","16.0089","0.0007","25.8622","0.001","29.879","0.0011","89.88","0.002","89.852","0.002","72.396","0.002","11791.3","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C194 H146 Br8 Cl17 Fe6.5 N40 O21 -","- C194 H144 Br8 Cl17 Fe6.5 N40 O21 -","- C388 H288 Br16 Cl34 Fe13 N80 O42 -","2","1","","Christopher S. Wood; Tanya K. Ronson; Ana M. Belenguer; Julian J. Holstein; Jonathan R. Nitschke","Two-stage directed self-assembly of a cyclic [3]catenane","Nature Chemistry","2015","7","","354","358","10.1038/nchem.2205","","","0.6889","synchrotron","","0.1088","0.0751","","","0.2218","0.2426","","","","","","1.053","","","","has coordinates,has disorder","215953","2020-10-21","18:00:00",""
"1551416","33.0443","0.0019","19.184","0.0011","41.84","0.002","90","","111.339","0.002","90","","24705","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C196 H165 Cl12 Fe6 N35 O24 -","- C196 H165 Cl12 Fe6 N35 O24 -","- C784 H660 Cl48 Fe24 N140 O96 -","4","1","","Christopher S. Wood; Tanya K. Ronson; Ana M. Belenguer; Julian J. Holstein; Jonathan R. Nitschke","Two-stage directed self-assembly of a cyclic [3]catenane","Nature Chemistry","2015","7","","354","358","10.1038/nchem.2205","","","0.6889","synchrotron","","0.1228","0.0919","","","0.2458","0.2713","","","","","","1.02","","","","has coordinates,has disorder","287876","2023-11-30","07:26:55",""
"1551417","42.114","0.003","54.516","0.003","14.0878","0.0009","90","","107.763","0.004","90","","30802","3","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C192 H150 F24 Fe6 N36 O12 P4 S6 -","- C192 H150 F24 Fe6 N36 O12 P4 S6 -","- C768 H600 F96 Fe24 N144 O48 P16 S24 -","4","1","","Christopher S. Wood; Tanya K. Ronson; Ana M. Belenguer; Julian J. Holstein; Jonathan R. Nitschke","Two-stage directed self-assembly of a cyclic [3]catenane","Nature Chemistry","2015","7","","354","358","10.1038/nchem.2205","","","0.6889","synchrotron","","0.2051","0.1411","","","0.3353","0.3902","","","","","","1.231","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551418","59.465","0.005","16.8956","0.0015","62.436","0.005","90","","116.189","0.003","90","","56290","8","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C234 H234 Br12.75 Fe6 K0.75 N30 O42.25 -","- C234 H234 Br12.75 Fe6 K0.75 N30 O42.25 -","- C1872 H1872 Br102 Fe48 K6 N240 O338 -","8","1","","Christopher S. Wood; Tanya K. Ronson; Ana M. Belenguer; Julian J. Holstein; Jonathan R. Nitschke","Two-stage directed self-assembly of a cyclic [3]catenane","Nature Chemistry","2015","7","","354","358","10.1038/nchem.2205","","","0.6889","synchrotron","","0.1586","0.1243","","","0.3352","0.3586","","","","","","1.392","","","","has coordinates,has disorder","215956","2020-10-21","18:00:00",""
"1551453","14.8228","0.00013","14.8228","0.00013","11.7919","0.0001","90","","90","","90","","2590.86","0.04","","","273","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","NOTT-300-4C2H2","- C24 H16 Al2 O10 -","- C24 H16 Al2 O10 -","- C96 H64 Al8 O40 -","4","0.25","","Sihai Yang; Anibal J. Ramirez-Cuesta; Ruth Newby; Victoria Garcia-Sakai; Pascal Manuel; Samantha K. Callear; Stuart I. Campbell; Chiu C. Tang; Martin Schroder","Supramolecular binding and separation of hydrocarbons within a functionalized porous metal-organic framework","Nature Chemistry","2015","7","","121","129","10.1038/nchem.2114","powder diffraction","x-ray","0.826126","synchrotron","","","","","","","","","0.05","","","","1.73","","","","has coordinates","216022","2020-10-21","18:00:00",""
"1551454","14.80469","0.000033","14.80469","0.000033","11.801726","0.000035","90","","90","","90","","2586.69","0.011","","","273","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","","NOTT-300-2.5C2H4","- C21 H18 Al2 O10 -","- C21.0688 H18.1376 Al2 O10 -","- C84.2752 H72.5504 Al8 O40 -","4","0.25","","Sihai Yang; Anibal J. Ramirez-Cuesta; Ruth Newby; Victoria Garcia-Sakai; Pascal Manuel; Samantha K. Callear; Stuart I. Campbell; Chiu C. Tang; Martin Schroder","Supramolecular binding and separation of hydrocarbons within a functionalized porous metal-organic framework","Nature Chemistry","2015","7","","121","129","10.1038/nchem.2114","powder diffraction","x-ray","0.826126","synchrotron","","","","","","","","","0.05","","","","2.74","","","","has coordinates","216023","2020-10-21","18:00:00",""
"1551455","14.785355","0.000083","14.785355","0.000083","11.77396","0.00015","90","","90","","90","","2573.87","0.04","","","100","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","NOTT-300 C2D2","- C21.4 H8 Al2 D5.4 O10 -","- C21.0068 H8 Al2 D5.0068 O10 -","- C84.0272 H32 Al8 D20.0272 O40 -","4","0.25","","Sihai Yang; Anibal J. Ramirez-Cuesta; Ruth Newby; Victoria Garcia-Sakai; Pascal Manuel; Samantha K. Callear; Stuart I. Campbell; Chiu C. Tang; Martin Schroder","Supramolecular binding and separation of hydrocarbons within a functionalized porous metal-organic framework","Nature Chemistry","2015","7","","121","129","10.1038/nchem.2114","powder diffraction","neutron","","ToF","","","","","","","","","0.006","","","","3.31","","","","has coordinates","216024","2020-10-21","18:00:00",""
"1551456","14.794232","0.000096","14.794232","0.000096","11.77851","0.00018","90","","90","","90","","2577.95","0.05","","","10","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","NOTT-300 C2D4","- C19.6 H8 Al2 D7.2 O10 -","- C19.6416 H8 Al2 D7.2832 O10 -","- C78.5664 H32 Al8 D29.1328 O40 -","4","0.25","","Sihai Yang; Anibal J. Ramirez-Cuesta; Ruth Newby; Victoria Garcia-Sakai; Pascal Manuel; Samantha K. Callear; Stuart I. Campbell; Chiu C. Tang; Martin Schroder","Supramolecular binding and separation of hydrocarbons within a functionalized porous metal-organic framework","Nature Chemistry","2015","7","","121","129","10.1038/nchem.2114","powder diffraction","neutron","","ToF","","","","","","","","","0.015","","","","3.83","","","","has coordinates","216025","2020-10-21","18:00:00",""
"1551457","14.79549","0.00011","14.79549","0.00011","11.77847","0.0002","90","","90","","90","","2578.38","0.05","","","10","","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","","NOTT-300 C2D6","- C18.6 H8 Al2 D6.8 O10 -","- C18.7776 H8 Al2 D8.3328 O10 -","- C75.1104 H32 Al8 D33.3312 O40 -","4","0.25","","Sihai Yang; Anibal J. Ramirez-Cuesta; Ruth Newby; Victoria Garcia-Sakai; Pascal Manuel; Samantha K. Callear; Stuart I. Campbell; Chiu C. Tang; Martin Schroder","Supramolecular binding and separation of hydrocarbons within a functionalized porous metal-organic framework","Nature Chemistry","2015","7","","121","129","10.1038/nchem.2114","powder diffraction","neutron","","ToF","","","","","","","","","0.014","","","","4.17","","","","has coordinates","216026","2020-10-21","18:00:00",""
"1551478","38.1839","0.0002","38.1839","0.0002","57.9645","0.0004","90","","90","","120","","73190.3","0.7","100","2","100","2","","","","","","","","7","R -3 :H","-R 3","148","","tris(iso-nicotinoyl)cyclotriguaiacyclene copper bromide","","- C266 H240 Br12 Cu6 N18 O63 S7 -","- C266 H240 Br12 Cu6 N18 O63 S7 -","- C2394 H2160 Br108 Cu54 N162 O567 S63 -","9","0.5","","Flora L. Thorp-Greenwood; Alexander N. Kulak; Michaele J. Hardie","An infinite chainmail of M6L6 metallacycles featuring multiple Borromean links","Nature Chemistry","2015","7","","526","531","10.1038/nchem.2259","","","1.54184","CuKα","","0.1369","0.1302","","","0.3568","0.3698","","","","","","1.808","","","","has coordinates,has disorder","216050","2020-10-21","18:00:00",""
"1551538","11.726","0.003","17.511","0.005","17.758","0.005","90","","90","","90","","3646.3","1.7","103","2","103","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H34 Cl F3 N2 -","- C45 H34 Cl F3 N2 -","- C180 H136 Cl4 F12 N8 -","4","1","","Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi","Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis","Nature Chemistry","2015","7","","227","233","10.1038/nchem.2174","","","0.71075","MoKα","","0.0767","0.0621","","","0.1447","0.1553","","","","","","1.061","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551539","11.095","0.003","15.395","0.005","16.048","0.007","86.404","0.019","88.39","0.02","71.517","0.018","2594.5","1.6","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H57 Cl3 F3 N O2 Si -","- C56 H57 Cl3 F3 N O2 Si -","- C112 H114 Cl6 F6 N2 O4 Si2 -","2","1","","Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi","Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis","Nature Chemistry","2015","7","","227","233","10.1038/nchem.2174","","","0.71075","MoKα","","0.1163","0.0888","","","0.2479","0.2685","","","","","","1.042","","","","has coordinates,has disorder","301780","2025-08-18","21:43:24",""
"1551540","7.973","0.0018","24.778","0.005","15.926","0.004","90","","101.836","0.005","90","","3079.4","1.2","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H33 F3 O -","- C40 H33 F3 O -","- C160 H132 F12 O4 -","4","1","","Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi","Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis","Nature Chemistry","2015","7","","227","233","10.1038/nchem.2174","","","0.71075","MoKα","","0.1146","0.073","","","0.1845","0.2393","","","","","","1.098","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551541","8.6566","0.0007","19.9388","0.0016","22.106","0.002","90","","90","","90","","3815.5","0.6","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H41 F3 O -","- C50 H41 F3 O -","- C200 H164 F12 O4 -","4","1","","Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi","Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis","Nature Chemistry","2015","7","","227","233","10.1038/nchem.2174","","","0.71075","MoKα","","0.0602","0.0507","","","0.1289","0.1399","","","","","","1.085","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551542","16.718","0.004","12.216","0.003","16.184","0.004","90","","99","0.006","90","","3264.5","1.4","103","2","103","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C40 H33 F3 N2 O -","- C40 H33 F3 N2 O -","- C160 H132 F12 N8 O4 -","4","1","","Shin Suzuki; Yasutomo Segawa; Kenichiro Itami; Junichiro Yamaguchi","Synthesis and characterization of hexaarylbenzenes with five or six different substituents enabled by programmed synthesis","Nature Chemistry","2015","7","","227","233","10.1038/nchem.2174","","","0.71075","MoKα","","0.117","0.0699","","","0.1675","0.2285","","","","","","1.085","","","","has coordinates,has disorder","301780","2025-08-18","21:43:24",""
"1551844","23.6365","0.0015","23.6365","0.0015","7.1651","0.0006","90","","90","","90","","4003","0.5","295.65","","295.65","","","","","","","","","3","I 41/a :2","-I 4ad","88","E4-1a","tetrakis(4-((E)-phenyldiazenyl)phenyl)methane","","- C49 H36 N8 -","- C49 H36 N8 -","- C196 H144 N32 -","4","0.25","","Massimo Baroncini; Simone d Agostino; Giacomo Bergamini; Paola Ceroni; Angiolina Comotti; Piero Sozzani; Irene Bassanetti; Fabrizia Grepioni; Taylor M. Hernandez; Serena Silvi; Margherita Venturi; Alberto Credi","Photoinduced reversible switching of porosity in molecular crystals based on star-shaped azobenzene tetramers","Nature Chemistry","2015","7","","634","640","10.1038/nchem.2304","","","0.71073","MoKα","","0.1546","0.0611","","","0.1585","0.1836","","","","","","0.85","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551845","24.2515","0.0011","24.2515","0.0011","7.7078","0.0005","90","","90","","90","","4533.2","0.4","293","2","293","2","","","","","","","","3","I 41/a :2","-I 4ad","88","E4-1b form I","","","- C53 H44 N8 -","- C53 H44 N8 -","- C212 H176 N32 -","4","0.25","","Massimo Baroncini; Simone d Agostino; Giacomo Bergamini; Paola Ceroni; Angiolina Comotti; Piero Sozzani; Irene Bassanetti; Fabrizia Grepioni; Taylor M. Hernandez; Serena Silvi; Margherita Venturi; Alberto Credi","Photoinduced reversible switching of porosity in molecular crystals based on star-shaped azobenzene tetramers","Nature Chemistry","2015","7","","634","640","10.1038/nchem.2304","","","0.71073","MoKα","","0.2338","0.066","","","0.1519","0.2275","","","","","","0.941","","","","has coordinates,has disorder","301780","2025-08-18","21:43:25",""
"1551846","24.072","0.002","24.072","0.002","7.4555","0.0012","90","","90","","90","","4320.2","0.9","297.65","","297.65","","","","","","","","","3","I 41/a :2","-I 4ad","88","E4-1b form II","tetrakis(4-((E)-p-tolyldiazenyl)phenyl)methane","","- C53 H44 N8 -","- C53 H44 N8 -","- C212 H176 N32 -","4","0.25","","Massimo Baroncini; Simone d Agostino; Giacomo Bergamini; Paola Ceroni; Angiolina Comotti; Piero Sozzani; Irene Bassanetti; Fabrizia Grepioni; Taylor M. Hernandez; Serena Silvi; Margherita Venturi; Alberto Credi","Photoinduced reversible switching of porosity in molecular crystals based on star-shaped azobenzene tetramers","Nature Chemistry","2015","7","","634","640","10.1038/nchem.2304","","","0.71073","MoKα","","0.3267","0.0903","","","0.1848","0.2853","","","","","","0.955","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551847","20.205","0.005","20.205","0.005","7.278","0.002","90","","90","","90","","2971.2","1.3","296","","296","","","","","","","","","3","I -4","I -4","82","E4-1c","tetrakis(4-((E)-(4-(tert-butyl)phenyl)diazenyl)phenyl)methane","","- C16.25 H17 N2 -","- C16.25 H17 N2 -","- C130 H136 N16 -","8","1","","Massimo Baroncini; Simone d Agostino; Giacomo Bergamini; Paola Ceroni; Angiolina Comotti; Piero Sozzani; Irene Bassanetti; Fabrizia Grepioni; Taylor M. Hernandez; Serena Silvi; Margherita Venturi; Alberto Credi","Photoinduced reversible switching of porosity in molecular crystals based on star-shaped azobenzene tetramers","Nature Chemistry","2015","7","","634","640","10.1038/nchem.2304","","","0.71073","MoKα","","0.4675","0.1362","","","0.266","0.4348","","","","","","0.94","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551923","19.4062","0.0015","30.4471","0.0016","19.8996","0.0008","90","","101.576","0.006","90","","11518.8","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C108 H72 Cl6 N18 O27 -","- C80.5 H74 Cl2 N14 O11 -","- C322 H296 Cl8 N56 O44 -","4","1","","Hao Li; Huacheng Zhang; Aaron D. Lammer; Ming Wang; Xiaopeng Li; Vincent M. Lynch; Jonathan L. Sessler","Quantitative self-assembly of a purely organic three-dimensional catenane in water","Nature Chemistry","2015","7","","1003","1008","10.1038/nchem.2392","","","1.54184","CuKα","","0.2648","0.144","","","0.4037","0.451","","","","","","1.031","","","","has coordinates","216652","2020-10-21","18:00:00",""
"1551959","7.0956","0.0002","11.5517","0.0003","24.171","0.0017","90","","90","","90","","1981.21","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H23 N O4 -","- C26 H23 N O4 -","- C104 H92 N4 O16 -","4","1","","Tatiana Caneque; Filipe Gomes; Trang Thi Mai; Giovanni Maestri; Max Malacria; Raphael Rodriguez","Synthesis of marmycin A and investigation into its cellular activity","Nature Chemistry","2015","7","","744","751","10.1038/nchem.2302","","","1.54187","CuKα","","0.1324","0.0612","","","0.1471","0.2174","","","","","","0.993","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551960","9.8002","0.0008","11.4061","0.001","30.952","0.003","90","","90","","90","","3459.9","0.5","100","2","100","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C34.48 H34.96 Cl0.96 O14 -","- C34.478 H34.956 Cl0.956 O14 -","- C137.912 H139.824 Cl3.824 O56 -","4","0.5","","Tian Qin; Sarah L. Skraba-Joiner; Zeinab G. Khalil; Richard P. Johnson; Robert J. Capon; John A. Porco Jr","Atropselective syntheses of (-) and (+) rugulotrosin A utilizing point-to-axial chirality transfer","Nature Chemistry","2015","7","","234","240","10.1038/nchem.2173","","","1.54178","CuKα","","0.0398","0.0394","","","0.1254","0.1259","","","","","","1.217","","","","has coordinates,has disorder","216724","2020-10-21","18:00:00",""
"1551961","11.3036","0.0004","15.895","0.0005","11.5465","0.0004","90","","111.075","0.001","90","","1935.8","0.11","100","2","99.98","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C40 H42 O16 -","- C40 H42 O16 -","- C80 H84 O32 -","2","1","","Tian Qin; Sarah L. Skraba-Joiner; Zeinab G. Khalil; Richard P. Johnson; Robert J. Capon; John A. Porco Jr","Atropselective syntheses of (-) and (+) rugulotrosin A utilizing point-to-axial chirality transfer","Nature Chemistry","2015","7","","234","240","10.1038/nchem.2173","","","1.54178","CuKα","","0.0272","0.027","","","0.074","0.0741","","","","","","1.05","","","","has coordinates,has disorder","301780","2025-08-18","21:43:25",""
"1551962","20.8958","0.0002","12.54925","0.00011","16.04531","0.00016","90","","90","","90","","4207.51","0.07","120","2","120","2","","","","","","","","6","P m c n","-P 2n 2a","62","","","","- C33 H77 As N4 Si3 U -","- C33 H77 As N4 Si3 U -","- C132 H308 As4 N16 Si12 U4 -","4","0.5","","Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions","Nature Chemistry","2015","7","","582","590","10.1038/nchem.2279","","x-ray","1.54184","CuKa","","0.1377","0.1376","","","0.3172","0.3173","","","","","","1.185","","","","has coordinates","216726","2020-10-21","18:00:00",""
"1551963","16.04632","0.00014","12.55844","0.00013","20.9096","0.0002","90","","90","","90","","4213.63","0.07","120","2","120","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C33 H77 As N4 Si3 U -","- C33 H77 As N4 Si3 U -","- C132 H308 As4 N16 Si12 U4 -","4","1","","Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions","Nature Chemistry","2015","7","","582","590","10.1038/nchem.2279","","x-ray","1.54184","CuKa","","0.1059","0.1052","","","0.2533","0.2537","","","","","","1.302","","","","has coordinates,has disorder","216727","2020-10-21","18:00:00",""
"1551964","16.2073","0.0003","19.3582","0.0003","24.0982","0.0004","90","","104.211","0.0018","90","","7329.3","0.2","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C61 H116 As K N4 O10 Si3 U -","- C61 H116 As K N4 O10 Si3 U -","- C244 H464 As4 K4 N16 O40 Si12 U4 -","4","1","","Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions","Nature Chemistry","2015","7","","582","590","10.1038/nchem.2279","","x-ray","1.54184","CuKa","","0.0756","0.0652","","","0.1762","0.1859","","","","","","1.031","","","","has coordinates,has disorder","216728","2020-10-21","18:00:00",""
"1551965","17.84985","0.00019","34.2192","0.0003","32.8697","0.0003","90","","97.2734","0.0009","90","","19915.5","0.3","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40.4 H82.5 As K2 N4 Si3 U -","- C37.5 H79.5 As K2 N4 Si3 U -","- C600 H1272 As16 K32 N64 Si48 U16 -","16","4","","Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions","Nature Chemistry","2015","7","","582","590","10.1038/nchem.2279","","x-ray","1.54184","CuKa","","0.1293","0.1266","","","0.3242","0.3264","","","","","","1.043","","","","has coordinates,has disorder","279817","2022-12-09","07:50:40",""
"1551966","15.3188","0.0003","18.8965","0.0004","24.8556","0.0003","88.3008","0.0013","89.3347","0.0014","68.8052","0.0019","6705.3","0.2","120","2","120","2","","","","","","","","8","P -1","-P 1","2","","","","- C52.5 H115.5 As K N6 O6 Si3 U -","- C51 H112 As K N6 O6 Si3 U -","- C204 H448 As4 K4 N24 O24 Si12 U4 -","4","2","","Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions","Nature Chemistry","2015","7","","582","590","10.1038/nchem.2279","","x-ray","1.54184","CuKa","","0.0577","0.053","","","0.1422","0.1471","","","","","","0.962","","","","has coordinates,has disorder","279817","2022-12-09","07:50:46",""
"1551967","13.1907","0.0004","20.1898","0.0005","22.7981","0.0006","90","","105.065","0.003","90","","5862.9","0.3","120","2","120","2","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C101 H198 As3 K N8 O10 Si6 U2 -","- C101 H198 As3 K N8 O10 Si6 U2 -","- C202 H396 As6 K2 N16 O20 Si12 U4 -","2","0.5","","Benedict M. Gardner; Gabor Balazs; Manfred Scheer; Floriana Tuna; Eric J. L. McInnes; Jonathan McMaster; William Lewis; Alexander J. Blake; Stephen T. Liddle","Triamidoamine uranium(IV)-arsenic complexes containing one-, two- and threefold U-As bonding interactions","Nature Chemistry","2015","7","","582","590","10.1038/nchem.2279","","x-ray","1.54184","CuKa","","0.0717","0.0634","","","0.1608","0.1668","","","","","","1.042","","","","has coordinates,has disorder","216731","2020-10-21","18:00:00",""
"1551968","5.556","0.008","5.842","0.008","10.511","0.017","90","","93.54","0.04","90","","340.5","0.9","125","","125","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C6 H6 F6 -","- C6 H6 F6 -","- C12 H12 F12 -","2","1","","Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan","All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane","Nature Chemistry","2015","7","","483","488","10.1038/nchem.2232","","","1.54187","CuKα","","0.0639","0.0604","","","0.1496","0.1519","","","","","","1.036","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551969","11.166","0.003","12.913","0.003","8.653","0.003","90","","90","","90","","1247.6","0.6","93","","93","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C6 H8 O4 -","- C6 H8 O4 -","- C48 H64 O32 -","8","2","","Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan","All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane","Nature Chemistry","2015","7","","483","488","10.1038/nchem.2232","","","0.71075","MoKα","","0.0374","0.0344","","","0.0742","0.0768","","","","","","1.061","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551970","11.4368","0.0014","11.7139","0.0014","10.7701","0.0013","90","","90","","90","","1442.9","0.3","173","","173","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C6 H8 F4 O2 -","- C6 H8 F4 O2 -","- C48 H64 F32 O16 -","8","2","","Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan","All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane","Nature Chemistry","2015","7","","483","488","10.1038/nchem.2232","","","1.54187","CuKα","","0.028","0.0276","","","0.0701","0.0704","","","","","","1.09","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551971","5.7119","0.0015","5.5655","0.0015","11.244","0.003","90","","93.724","0.008","90","","356.69","0.16","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C6 H7 F5 O -","- C6 H7 F5 O -","- C12 H14 F10 O2 -","2","1","","Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan","All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane","Nature Chemistry","2015","7","","483","488","10.1038/nchem.2232","","","0.71075","MoKα","","0.1095","0.0659","","","0.1286","0.1451","","","","","","1.063","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551972","5.6059","0.0014","7.4253","0.0017","13.076","0.003","90","","97.192","0.003","90","","540","0.2","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H6 F8 O3 S -","- C7 H6 F8 O3 S -","- C14 H12 F16 O6 S2 -","2","1","","Neil S. Keddie; Alexandra M. Z. Slawin; Tomas Lebl; Douglas Philp; David O Hagan","All-cis 1,2,3,4,5,6-hexafluorocyclohexane is a facially polarized cyclohexane","Nature Chemistry","2015","7","","483","488","10.1038/nchem.2232","","","0.71075","MoKα","","0.0533","0.0522","","","0.1251","0.1257","","","","","","1.059","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1552151","7.5979","0.0002","32.4387","0.0006","16.8075","0.0004","90","","115.761","0.002","90","","3730.78","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H45 B N2 -","- C48 H45 B N2 -","- C192 H180 B4 N8 -","4","1","","Zhang, Jing; Li, Aisen; Zou, Hang; Peng, Junhui; Guo, Jiali; Wu, Wenjie; Zhang, Haoke; Zhang, Jun; Gu, Xinggui; Xu, Weiqing; Xu, Shuping; Liu, Sheng Hua; Qin, Anjun; Lam, Jacky W. Y.; Tang, Ben Zhong","A “simple” donor–acceptor AIEgen with multi-stimuli responsive behavior","Materials Horizons","2020","7","1","135","142","10.1039/C9MH01041F","","","1.54184","CuKα","","0.0755","0.0592","","","0.1532","0.1638","","","","","","1.068","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1552477","9.6444","0.0003","12.2441","0.0003","19.4216","0.0004","93.6475","0.0017","99.9526","0.0019","92.348","0.002","2251.2","0.1","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C51 H58 O14 -","- C51 H58 O14 -","- C102 H116 O28 -","2","1","","Xu, Xiaowen; Jerca, Florica Adriana; Van Hecke, Kristof; Jerca, Valentin Victor; Hoogenboom, Richard","High compression strength single network hydrogels with pillar[5]arene junction points","Materials Horizons","2020","7","2","566","573","10.1039/C9MH01401B","","x-ray","1.54184","CuKα","","0.0516","0.0433","","","0.1122","0.1197","","","","","","1.04","","","","has coordinates,has disorder","301780","2025-08-18","21:43:26",""
"1552926","14.9009","0.0007","15.5043","0.0004","18.1199","0.0005","99.309","0.002","101.541","0.003","108.366","0.003","3777.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H82 N4 O2 S4 -","- C94 H82 N4 O2 S4 -","- C188 H164 N8 O4 S8 -","2","1","","Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham","Meta-analysis: the molecular organization of non-fullerene acceptors","Materials Horizons","2020","7","4","1062","1072","10.1039/C9MH01439J","","x-ray","1.54178","CuKα","","0.1126","0.0718","","","0.177","0.208","","","","","","1.002","","","","has coordinates","301780","2025-08-18","21:43:28",""
"1552927","7.7145","0.0001","10.865","0.0002","12.5062","0.0003","110.002","0.002","96.063","0.002","104.29","0.002","933.52","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 N2 O S -","- C23 H20 N2 O S -","- C46 H40 N4 O2 S2 -","2","1","","Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham","Meta-analysis: the molecular organization of non-fullerene acceptors","Materials Horizons","2020","7","4","1062","1072","10.1039/C9MH01439J","","x-ray","1.54178","CuKα","","0.0294","0.0292","","","0.076","0.0761","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:28",""
"1552928","8.6679","0.0004","12.5073","0.0007","13.5784","0.0006","72.096","0.004","75.545","0.004","88.839","0.004","1353.88","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H66 N4 O2 S2 -","- C66 H66 N4 O2 S2 -","- C66 H66 N4 O2 S2 -","1","0.5","","Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham","Meta-analysis: the molecular organization of non-fullerene acceptors","Materials Horizons","2020","7","4","1062","1072","10.1039/C9MH01439J","","x-ray","1.54178","CuKα","","0.064","0.0545","","","0.1441","0.1508","","","","","","1.056","","","","has coordinates","301780","2025-08-18","21:43:28",""
"1552929","15.2836","0.0002","20.0101","0.0005","29.3242","0.0006","90","","89.997","0.002","90","","8968.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C104 H109 N4 O8 S4 -","- C104 H109 N4 O8 S4 -","- C416 H436 N16 O32 S16 -","4","1","","Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham","Meta-analysis: the molecular organization of non-fullerene acceptors","Materials Horizons","2020","7","4","1062","1072","10.1039/C9MH01439J","","x-ray","1.54178","CuKα","","0.1639","0.0998","","","0.2395","0.2842","","","","","","1.044","","","","has coordinates,has disorder","258154","2020-10-21","18:00:00",""
"1552930","8.6526","0.0003","16.4878","0.0008","18.0435","0.0008","114.697","0.005","103.822","0.004","90.89","0.004","2251.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H98 Cl6 N4 O6 S4 -","- C100 H98 Cl6 N4 O6 S4 -","- C100 H98 Cl6 N4 O6 S4 -","1","0.5","","Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham","Meta-analysis: the molecular organization of non-fullerene acceptors","Materials Horizons","2020","7","4","1062","1072","10.1039/C9MH01439J","","x-ray","1.54178","CuKα","","0.0852","0.0753","","","0.2089","0.2158","","","","","","1.071","","","","has coordinates,has disorder","301780","2025-08-18","21:43:28",""
"1552931","21.1745","0.0009","35.242","0.002","14.1841","0.0009","90","","100.409","0.004","90","","10410.4","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H60 Cl3 N2 O2 S2 -","- C58 H60 Cl3 N2 O2 S2 -","- C464 H480 Cl24 N16 O16 S16 -","8","1","","Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham","Meta-analysis: the molecular organization of non-fullerene acceptors","Materials Horizons","2020","7","4","1062","1072","10.1039/C9MH01439J","","x-ray","1.54178","CuKα","","0.2955","0.1903","","","0.4321","0.4994","","","","","","1.47","","","","has coordinates,has disorder","301780","2025-08-18","21:43:28",""
"1552932","8.429","0.0002","9.714","0.0003","11.076","0.0003","82.096","0.002","69.206","0.002","76.828","0.002","823.92","0.04","120","2","120","2","","","","","","","Merck","3","P -1","-P 1","2","","","","- C20 H18 S2 -","- C20 H18 S2 -","- C40 H36 S4 -","2","1","","Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham","Meta-analysis: the molecular organization of non-fullerene acceptors","Materials Horizons","2020","7","4","1062","1072","10.1039/C9MH01439J","","","0.71073","MoKα","","0.0668","0.0466","","","0.1041","0.1155","","","","","","1.055","","","","has coordinates","301780","2025-08-18","21:43:28",""
"1552933","4.8299","0.0002","24.008","0.0005","17.9904","0.0003","90","","91.295","0.002","90","","2085.57","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O S -","- C27 H22 N2 O S -","- C108 H88 N8 O4 S4 -","4","1","","Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham","Meta-analysis: the molecular organization of non-fullerene acceptors","Materials Horizons","2020","7","4","1062","1072","10.1039/C9MH01439J","","x-ray","1.54178","CuKα","","0.0611","0.0531","","","0.1424","0.1478","","","","","","1.081","","","","has coordinates,has disorder","301780","2025-08-18","21:43:28",""
"1552934","8.7454","0.0013","18.872","0.002","25.2647","0.0018","87.77","0.008","88.724","0.009","78.001","0.012","4075.1","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C95 H83 Cl3 N4 O2 S4 -","- C95 H83 Cl3 N4 O2 S4 -","- C190 H166 Cl6 N8 O4 S8 -","2","1","","Mondelli, Pierluigi; Boschetto, Gabriele; Horton, Peter N.; Tiwana, Priti; Skylaris, Chris-Kriton; Coles, Simon J.; Krompiec, Michal; Morse, Graham","Meta-analysis: the molecular organization of non-fullerene acceptors","Materials Horizons","2020","7","4","1062","1072","10.1039/C9MH01439J","","x-ray","1.54178","CuKα","","0.3079","0.1768","","","0.4418","0.5171","","","","","","1.45","","","","has coordinates,has disorder","258154","2020-10-21","18:00:00",""
"1553241","13.3249","0.0009","26.5982","0.0015","10.0862","0.0006","90","","90","","90","","3574.7","0.4","173","2","173","2","","","","","","","","3","A e m 2","A 2 -2b","39","","","","- C49 H34 Cl2 -","- C49 H32 Cl2 -","- C196 H128 Cl8 -","4","0.5","","Sisto, Thomas J.; Zakharov, Lev N.; White, Brittany M.; Jasti, Ramesh","Towards pi-extended cycloparaphenylenes as seeds for CNT growth: investigating strain relieving ring-openings and rearrangements.","Chemical science","2016","7","6","3681","3688","10.1039/c5sc04218f","","","1.54178","CuKα","","0.0809","0.075","","","0.2148","0.2231","","","","","","1.068","","","","has coordinates","233867","2020-10-21","18:00:00",""
"1553640","9.37666","0.00019","9.37666","0.00019","36.6305","0.0012","90","","90","","90","","3220.62","0.14","180.01","0.1","180.01","0.1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C152 H144 N16 O24 -","8","1","","Zhang, Yun; Xue, Yibin; Li, Gang; Yuan, Haosen; Luo, Tuoping","Enantioselective synthesis of <i>Iboga</i> alkaloids and vinblastine <i>via</i> rearrangements of quaternary ammoniums.","Chemical science","2016","7","8","5530","5536","10.1039/c6sc00932h","","","1.5418","CuKα","","0.0471","0.0421","","","0.1015","0.1052","","","","","","1.063","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553641","13.023","0.0011","21.0779","0.0016","12.8028","0.0009","90","","90.541","0.008","90","","3514.2","0.5","180.01","0.1","180.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19.5 H24.5 Cl1.5 N2 -","- C19.5 H24.5 Cl1.5 N2 -","- C156 H196 Cl12 N16 -","8","2","","Zhang, Yun; Xue, Yibin; Li, Gang; Yuan, Haosen; Luo, Tuoping","Enantioselective synthesis of <i>Iboga</i> alkaloids and vinblastine <i>via</i> rearrangements of quaternary ammoniums.","Chemical science","2016","7","8","5530","5536","10.1039/c6sc00932h","","","0.71073","MoKα","","0.1306","0.0896","","","0.2077","0.2393","","","","","","1.065","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1553642","12.2491","0.0009","35.949","0.003","13.088","0.0013","90","","90","","90","","5763.2","0.9","100.02","0.18","100.02","0.18","","","","","","","","3","A e a 2","A 2 -2ab","41","","","","- C18 H19 N3 -","- C18 H19 N3 -","- C288 H304 N48 -","16","2","","Zhang, Yun; Xue, Yibin; Li, Gang; Yuan, Haosen; Luo, Tuoping","Enantioselective synthesis of <i>Iboga</i> alkaloids and vinblastine <i>via</i> rearrangements of quaternary ammoniums.","Chemical science","2016","7","8","5530","5536","10.1039/c6sc00932h","","","0.71073","MoKα","","0.0576","0.0459","","","0.1079","0.116","","","","","","1.066","","","","has coordinates","301780","2025-08-18","21:43:30",""
"1554616","6.9712","0.0005","11.7604","0.0007","12.9797","0.0006","107.511","0.002","102.996","0.003","102.125","0.003","943.63","0.1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H22 B10 -","- C17 H22 B10 -","- C34 H44 B20 -","2","1","","Chaari, Mahdi; Kelemen, Zsolt; Choquesillo-Lazarte, Duane; Gaztelumendi, Nerea; Teixidor, Francesc; Viñas, Clara; Nogués, Carme; Núñez, Rosario","Efficient blue light emitting materials based on m-carborane-anthracene dyads. Structure, photophysics and bioimaging studies.","Biomaterials science","2019","7","12","5324","5337","10.1039/c9bm00903e","","","0.71073","MoKα","","0.0874","0.0577","","","0.1464","0.1624","","","","","","1.03","","","","has coordinates","237823","2020-10-21","18:00:00",""
"1554617","13.801","0.003","25.643","0.005","6.8626","0.0013","90","","90","","90","","2428.7","0.8","298","2","298","2","","","","","","","","4","I m a 2","I 2 -2a","46","","","","- C17 H20 B10 I2 -","- C17 H20 B10 I2 -","- C68 H80 B40 I8 -","4","0.5","","Chaari, Mahdi; Kelemen, Zsolt; Choquesillo-Lazarte, Duane; Gaztelumendi, Nerea; Teixidor, Francesc; Viñas, Clara; Nogués, Carme; Núñez, Rosario","Efficient blue light emitting materials based on m-carborane-anthracene dyads. Structure, photophysics and bioimaging studies.","Biomaterials science","2019","7","12","5324","5337","10.1039/c9bm00903e","","","0.71073","MoKα","","0.0603","0.0405","","","0.0766","0.0791","","","","","","1.038","","","","has coordinates","237823","2020-10-21","18:00:00",""
"1554618","9.319","0.0008","11.7553","0.0006","18.5808","0.0012","90","","94.913","0.003","90","","2028","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 B10 I -","- C17 H21 B10 I -","- C68 H84 B40 I4 -","4","1","","Chaari, Mahdi; Kelemen, Zsolt; Choquesillo-Lazarte, Duane; Gaztelumendi, Nerea; Teixidor, Francesc; Viñas, Clara; Nogués, Carme; Núñez, Rosario","Efficient blue light emitting materials based on m-carborane-anthracene dyads. Structure, photophysics and bioimaging studies.","Biomaterials science","2019","7","12","5324","5337","10.1039/c9bm00903e","","","0.71073","MoKα","","0.0634","0.0459","","","0.0991","0.1073","","","","","","1.123","","","","has coordinates","237823","2020-10-21","18:00:00",""
"1554619","19.1281","0.0012","24.4901","0.0012","15.6182","0.001","90","","109.513","0.003","90","","6896.1","0.7","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C54 H48 Cl0 F0 N0 O43.5 -","- C54 H68 O43.5 -","- C216 H272 O174 -","4","1","","Phan, Chiuyen; Zheng, Ziyang; Wang, Jianwei; Wang, Qiwen; Hu, Xiurong; Tang, Guping; Bai, Hongzhen","Enhanced antitumour effect for hepatocellular carcinoma in the advanced stage using a cyclodextrin-sorafenib-chaperoned inclusion complex.","Biomaterials science","2019","7","11","4758","4768","10.1039/c9bm01190k","","","1.54184","CuKα","","0.1025","0.0944","","","0.2731","0.2855","","","","","","1.29","","","","has coordinates","237825","2020-10-21","18:00:00",""
"1556110","9.1105","0.0007","9.7461","0.0009","13.7386","0.0011","90","","101.569","0.005","90","","1195.09","0.17","295","","","","","","","","","","","4","P 1 21 1","P 2yb","4","(-)-(R)-3nb","(R)-(-)-6-Acetoxymethyl-2'-bromobiphenyl-2,3,4,5-tetrazcarboxylic acid tetramethyl ester","","- C23 H21 Br O10 -","- C23 H21 Br O10 -","- C46 H42 Br2 O20 -","2","1","","Tanaka, Ken; Nishida, Goushi; Ogino, Masakazu; Hirano, Masao; Noguchi, Keiichi","Enantioselective synthesis of axially chiral biaryls through rhodium-catalyzed complete intermolecular cross-cyclotrimerization of internal alkynes.","Organic letters","2005","7","14","3119","3121","10.1021/ol0511880","","","1.5418","CuKα","","0.0305","0.0287","","","0.078","0.0798","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556111","11.9029","0.0013","6.4499","0.0004","13.0137","0.0014","90","","99.747","0.013","90","","984.67","0.17","173","","173","1","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C21 H22 Cl N O5 -","- C21 H22 Cl N O5 -","- C42 H44 Cl2 N2 O10 -","2","1","","Weisser, Roland; Yue, Weimin; Reiser, Oliver","Enantioselective synthesis of furo[2,3-b]furans, a spongiane diterpenoid substructure.","Organic letters","2005","7","24","5353","5356","10.1021/ol051457m","","","0.71073","MoKα","","0.0412","0.0308","","","0.0634","0.0658","","","","","","0.894","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556112","5.7104","0.0005","14.5249","0.0016","20.567","0.002","90","","90","","90","","1705.9","0.3","173","","173","1","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O5 -","- C20 H20 O5 -","- C80 H80 O20 -","4","1","","Weisser, Roland; Yue, Weimin; Reiser, Oliver","Enantioselective synthesis of furo[2,3-b]furans, a spongiane diterpenoid substructure.","Organic letters","2005","7","24","5353","5356","10.1021/ol051457m","","","0.71073","MoKα","","0.0913","0.0392","","","0.0711","0.0817","","","","","","0.694","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556113","5.31","0.0006","10.8386","0.001","12.8074","0.0012","90","","90","","90","","737.1","0.13","173","","173","1","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 O5 -","- C7 H8 O5 -","- C28 H32 O20 -","4","1","","Weisser, Roland; Yue, Weimin; Reiser, Oliver","Enantioselective synthesis of furo[2,3-b]furans, a spongiane diterpenoid substructure.","Organic letters","2005","7","24","5353","5356","10.1021/ol051457m","","","0.71073","MoKα","","0.0292","0.0226","","","0.0446","0.0458","","","","","","0.988","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556114","9.0186","0.001","10.1685","0.0011","10.338","0.0012","106.26","0.007","92.413","0.008","114.734","0.007","812.73","0.17","296","2","296","2","","","","","","","","5","P 1","P 1","1","'(R)-(+)-2-Butyl-1-(2-chlorophenyl)-2,5,6,7- tetrahydro[2]pyrindin-3-one'","","","- C18 H20 Cl N O -","- C18 H20 Cl N O -","- C36 H40 Cl2 N2 O2 -","2","2","","Tanaka, Ken; Wada, Azusa; Noguchi, Keiichi","Rhodium-catalyzed chemo-, regio-, and enantioselective [2 + 2 + 2] cycloaddition of alkynes with isocyanates.","Organic letters","2005","7","21","4737","4739","10.1021/ol052041b","","","1.5418","CuKα","","0.0633","0.0538","","","0.1548","0.169","","","","","","0.996","","","","has coordinates","301780","2025-08-18","21:43:34",""
"1556273","6.3577","0.0013","9.6425","0.0019","10.788","0.002","91.28","0.004","103.763","0.004","90.641","0.004","642.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H40 Fe N2 O4 -","- C24 H40 Fe N2 O4 -","- C24 H40 Fe N2 O4 -","1","0.5","","Sahoo, Pathik; Puranik, Vedavati G.; Patra, A. K.; Sastry, P. U.; Dastidar, Parthasarathi","Ferrocene based organometallic gelators: a supramolecular synthon approach","Soft Matter","2011","7","7","3634","","10.1039/c0sm01148g","","","0.71073","MoKα","","0.1044","0.094","","","0.2173","0.2255","","","","","","0.977","","","","has coordinates","244138","2020-10-21","18:00:00",""
"1556274","6.344","0.003","9.743","0.005","13.824","0.007","101.95","0.007","92.72","0.008","91.48","0.008","834.4","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H56 Fe N2 O4 -","- C32 H56 Fe N2 O4 -","- C32 H56 Fe N2 O4 -","1","0.5","","Sahoo, Pathik; Puranik, Vedavati G.; Patra, A. K.; Sastry, P. U.; Dastidar, Parthasarathi","Ferrocene based organometallic gelators: a supramolecular synthon approach","Soft Matter","2011","7","7","3634","","10.1039/c0sm01148g","","","0.71073","MoKα","","0.0494","0.0468","","","0.1131","0.1147","","","","","","1.09","","","","has coordinates","244138","2020-10-21","18:00:00",""
"1556275","6.3523","0.001","9.7708","0.0015","15.689","0.003","74.333","0.003","86.777","0.003","88.341","0.003","936","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H64 Fe N2 O4 -","- C36 H64 Fe N2 O4 -","- C36 H64 Fe N2 O4 -","1","0.5","","Sahoo, Pathik; Puranik, Vedavati G.; Patra, A. K.; Sastry, P. U.; Dastidar, Parthasarathi","Ferrocene based organometallic gelators: a supramolecular synthon approach","Soft Matter","2011","7","7","3634","","10.1039/c0sm01148g","","","0.71073","MoKα","","0.0592","0.0484","","","0.1214","0.1368","","","","","","0.859","","","","has coordinates","244138","2020-10-21","18:00:00",""
"1556276","6.383","0.003","9.819","0.004","16.098","0.007","76.759","0.007","85.454","0.006","88.787","0.006","979","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H68 Fe N2 O4 -","- C38 H50 Fe N2 O4 -","- C38 H50 Fe N2 O4 -","1","0.5","","Sahoo, Pathik; Puranik, Vedavati G.; Patra, A. K.; Sastry, P. U.; Dastidar, Parthasarathi","Ferrocene based organometallic gelators: a supramolecular synthon approach","Soft Matter","2011","7","7","3634","","10.1039/c0sm01148g","","","0.71073","MoKα","","0.0609","0.0552","","","0.1575","0.1658","","","","","","1.103","","","","has coordinates","244138","2020-10-21","18:00:00",""
"1556277","6.3805","0.0008","9.7435","0.0013","17.269","0.002","103.524","0.002","97.318","0.002","91.618","0.002","1033.4","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H72 Fe N2 O4 -","- C40 H72 Fe N2 O4 -","- C40 H72 Fe N2 O4 -","1","0.5","","Sahoo, Pathik; Puranik, Vedavati G.; Patra, A. K.; Sastry, P. U.; Dastidar, Parthasarathi","Ferrocene based organometallic gelators: a supramolecular synthon approach","Soft Matter","2011","7","7","3634","","10.1039/c0sm01148g","","","0.71073","MoKα","","0.0567","0.0502","","","0.1259","0.1358","","","","","","1.111","","","","has coordinates","244138","2020-10-21","18:00:00",""
"1556278","6.418","0.002","9.72","0.003","18.006","0.006","104.624","0.005","98.504","0.006","91.086","0.005","1073.1","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H76 Fe N2 O4 -","- C42 H62 Fe N2 O4 -","- C42 H62 Fe N2 O4 -","1","0.5","","Sahoo, Pathik; Puranik, Vedavati G.; Patra, A. K.; Sastry, P. U.; Dastidar, Parthasarathi","Ferrocene based organometallic gelators: a supramolecular synthon approach","Soft Matter","2011","7","7","3634","","10.1039/c0sm01148g","","","0.71073","MoKα","","0.0592","0.0567","","","0.1576","0.1627","","","","","","1.117","","","","has coordinates","244138","2020-10-21","18:00:00",""
"1556417","9.331","0.0002","9.4169","0.0002","14.0477","0.0003","90.693","0.002","103.321","0.002","113.757","0.002","1091.71","0.05","130","","130","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H29 B9 O4 Ru -","- C16 H29 B9 O4 Ru -","- C32 H58 B18 O8 Ru2 -","2","1","","Gozzi, M.; Schwarze, B.; Coburger, P.; Hey-Hawkins, E.","On the Aqueous Solution Behavior of C-Substituted 3,1,2-Ruthenadicarbadodecaboranes","Inorganics","2019","7","","91","","10.3390/inorganics7070091","","","0.71073","MoKα","","0.0311","0.0257","","","0.0581","0.0603","","","","","","1.063","","","","has coordinates","244884","2020-10-21","18:00:00",""
"1556418","10.135","0.009","18.687","0.014","19.155","0.015","90","","104.73","0.02","90","","3509","5","100","","100","","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H55 Al B2 N4 -","- C31 H55 Al B2 N4 -","- C124 H220 Al4 B8 N16 -","4","1","","Weetman, C.; Ito, N.; Unno, M.; Hanusch, F.; Inoue, S.","NHI- and NHC-Supported Al(III) Hydrides for Amine-Borane Dehydrocoupling Catalysis","Inorganics","2019","7","","92","","10.3390/inorganics7080092","","x-ray","0.71073","MoKα","","0.0877","0.0574","","","0.1194","0.1319","","","","","","1.059","","","","has coordinates,has disorder","244885","2020-10-21","18:00:00",""
"1556419","11.90994","0.00006","13.21619","0.00007","26.83905","0.00013","90","","97.6274","0.0004","90","","4187.2","0.04","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 B Cu N P S -","- C23 H22 B Cu N P S -","- C184 H176 B8 Cu8 N8 P8 S8 -","8","1","","Goldsworthy, J.; Thomas, S.D.; Tizzard, G.J.; Coles, S.J.; Owen, G.R.","Adding to the Family of Copper Complexes Featuring Borohydride Ligands Based on 2-Mercaptopyridyl Units","Inorganics","2019","7","","93","","10.3390/inorganics7080093","","x-ray","1.54178","CuKα","","0.0246","0.0244","","","0.0662","0.0664","","","","","","1.072","","","","has coordinates,has disorder","244886","2020-10-21","18:00:00",""
"1556420","8.1672","0.0001","9.3837","0.0001","17.2612","0.0002","96.939","0.001","95.617","0.001","112.373","0.001","1199.33","0.03","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H40 B Cu N P S -","- C23 H40 B Cu N P S -","- C46 H80 B2 Cu2 N2 P2 S2 -","2","1","","Goldsworthy, J.; Thomas, S.D.; Tizzard, G.J.; Coles, S.J.; Owen, G.R.","Adding to the Family of Copper Complexes Featuring Borohydride Ligands Based on 2-Mercaptopyridyl Units","Inorganics","2019","7","","93","","10.3390/inorganics7080093","","x-ray","1.54178","CuKα","","0.0239","0.0236","","","0.0625","0.0628","","","","","","1.052","","","","has coordinates,has disorder","244887","2020-10-21","18:00:00",""
"1556421","16.0206","0.0003","24.7785","0.0005","16.9022","0.0004","90","","90","","90","","6709.6","0.2","88","2","88","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C39 H47 Al N2 -","- C39 H47 Al N2 -","- C312 H376 Al8 N16 -","8","1","","Ito, S.; Tanaka, K.; Chujo, Y.","Characterization and Photophysical Properties of a Luminescent Aluminum Hydride Complex Supported by a beta-Diketiminate Ligand","Inorganics","2019","7","","100","","10.3390/inorganics7080100","","","0.71075","MoKα","","0.0535","0.0428","","","0.1001","0.1055","","","","","","1.048","","","","has coordinates","244893","2020-10-21","18:00:00",""
"1556422","14.4924","0.001","11.1385","0.0007","22.2237","0.0013","90","","91.562","0.007","90","","3586.1","0.4","301","2","301","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H38 Cl2 Cu N6 O12 -","- C28 H38 Cl2 Cu N6 O12 -","- C112 H152 Cl8 Cu4 N24 O48 -","4","0.5","","Rancan, M.; Carlotto, A.; Bottaro, G.; Armelao, L.","Effect of Coordinating Solvents on the Structure of Cu(II)-4,4'-bipyridine Coordination Polymers","Inorganics","2019","7","","103","","10.3390/inorganics7080103","","x-ray","0.71073","MoKα","","0.0686","0.0576","","","0.1686","0.1804","","","","","","1.117","","","","has coordinates","244894","2020-10-21","18:00:00",""
"1556423","10.2921","0.0004","15.7544","0.0004","15.3205","0.0005","90","","106.641","0.004","90","","2380.11","0.14","301","3","301","3","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 Cl2 Cu N10 O10 -","- C46 H46 Cl2 Cu N10 O10 -","- C92 H92 Cl4 Cu2 N20 O20 -","2","0.5","","Rancan, M.; Carlotto, A.; Bottaro, G.; Armelao, L.","Effect of Coordinating Solvents on the Structure of Cu(II)-4,4'-bipyridine Coordination Polymers","Inorganics","2019","7","","103","","10.3390/inorganics7080103","","x-ray","0.71073","MoKα","","0.0384","0.0338","","","0.0914","0.0951","","","","","","1.024","","","","has coordinates","244895","2020-10-21","18:00:00",""
"1556424","12.9264","0.0005","11.1702","0.0004","15.0564","0.001","90","","106.559","0.006","90","","2083.84","0.19","301.2","0.8","301.2","0.8","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C40 H36 Cl2 Cu N8 O11 -","- C40 H36 Cl2 Cu N8 O11 -","- C80 H72 Cl4 Cu2 N16 O22 -","2","0.5","","Rancan, M.; Carlotto, A.; Bottaro, G.; Armelao, L.","Effect of Coordinating Solvents on the Structure of Cu(II)-4,4'-bipyridine Coordination Polymers","Inorganics","2019","7","","103","","10.3390/inorganics7080103","","x-ray","0.71073","MoKα","","0.0522","0.0473","","","0.1279","0.1334","","","","","","1.081","","","","has coordinates","244896","2020-10-21","18:00:00",""
"1556425","17.9524","0.0017","11.0913","0.0007","16.3512","0.0015","90","","100.154","0.008","90","","3204.8","0.5","299.6","0.6","299.6","0.6","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C20 H34 Cl2 Cu N4 O12 S2 -","- C20 H34 Cl2 Cu N4 O12 S2 -","- C80 H136 Cl8 Cu4 N16 O48 S8 -","4","0.5","","Rancan, M.; Carlotto, A.; Bottaro, G.; Armelao, L.","Effect of Coordinating Solvents on the Structure of Cu(II)-4,4'-bipyridine Coordination Polymers","Inorganics","2019","7","","103","","10.3390/inorganics7080103","","x-ray","0.71073","MoKα","","0.0427","0.034","","","0.0843","0.0902","","","","","","1.035","","","","has coordinates,has disorder","244897","2020-10-21","18:00:00",""
"1556426","12.1642","0.0012","12.1642","0.0012","26.953","0.003","90","","90","","90","","3988.2","0.7","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C38 H58 P2 Si2 Th -","- C38 H58 P2 Si2 Th -","- C152 H232 P8 Si8 Th4 -","4","0.5","","Rungthanaphatsophon, P.; Fajen, O.J.; Kelley, S.P.; Walensky, J.R.","Thorium(IV) and Uranium(IV) Phosphaazaallenes","Inorganics","2019","7","","105","","10.3390/inorganics7090105","","","0.71073","MoKα","","0.0229","0.0203","","","0.0416","0.0424","","","","","","1.077","","","","has coordinates","244923","2020-10-21","18:00:00",""
"1556427","12.0767","0.0011","12.0767","0.0011","26.931","0.003","90","","90","","90","","3927.8","0.7","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C38 H58 P2 Si2 U -","- C38 H58 P2 Si2 U -","- C152 H232 P8 Si8 U4 -","4","0.5","","Rungthanaphatsophon, P.; Fajen, O.J.; Kelley, S.P.; Walensky, J.R.","Thorium(IV) and Uranium(IV) Phosphaazaallenes","Inorganics","2019","7","","105","","10.3390/inorganics7090105","","","0.71073","MoKα","","0.0212","0.0166","","","0.032","0.033","","","","","","0.983","","","","has coordinates","244924","2020-10-21","18:00:00",""
"1556428","10.0829","0.001","33.981","0.003","10.7807","0.0011","90","","107.839","0.0017","90","","3516.2","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H53 N2 P Th -","- C36 H53 N2 P Th -","- C144 H212 N8 P4 Th4 -","4","1","","Rungthanaphatsophon, P.; Fajen, O.J.; Kelley, S.P.; Walensky, J.R.","Thorium(IV) and Uranium(IV) Phosphaazaallenes","Inorganics","2019","7","","105","","10.3390/inorganics7090105","","","0.71073","MoKα","","0.0747","0.0594","","","0.1114","0.1147","","","","","","1.36","","","","has coordinates,has disorder","244925","2020-10-21","18:00:00",""
"1556429","10.0337","0.0004","33.6762","0.0014","10.7644","0.0004","90","","107.477","0.001","90","","3469.4","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H53 N2 P U -","- C36 H53 N2 P U -","- C144 H212 N8 P4 U4 -","4","1","","Rungthanaphatsophon, P.; Fajen, O.J.; Kelley, S.P.; Walensky, J.R.","Thorium(IV) and Uranium(IV) Phosphaazaallenes","Inorganics","2019","7","","105","","10.3390/inorganics7090105","","","0.71073","MoKα","","0.0376","0.0264","","","0.0437","0.0459","","","","","","1.062","","","","has coordinates","244926","2020-10-21","18:00:00",""
"1556430","6.9224","0.0007","8.8551","0.0009","21.377","0.002","90","","90","","90","","1310.4","0.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H13 N O -","- C20 H13 N O -","- C80 H52 N4 O4 -","4","1","","Tsukao, M.; Hashikawa, Y.; Toyama, N.; Muraoka, M.; Murata, M.; Sasamori, T.; Wakamiya, A.; Murata, Y.","Propeller-Shaped Aluminum Complexes with an Azaperylene Core in the Ligands","Inorganics","2019","7","","109","","10.3390/inorganics7090109","","","0.71073","MoKα","","0.028","0.0268","","","0.0709","0.0719","","","","","","1.059","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556431","34.0652","0.0003","34.0652","0.0003","18.1656","0.0002","90","","90","","120","","18255.9","0.3","83","2","83","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C354.9 H199.8 Al6 Cl1.8 N24 O18 -","- C354.9 H199.8 Al6 Cl1.8 N24 O18 -","- C1064.7 H599.4 Al18 Cl5.4 N72 O54 -","3","0.166667","","Tsukao, M.; Hashikawa, Y.; Toyama, N.; Muraoka, M.; Murata, M.; Sasamori, T.; Wakamiya, A.; Murata, Y.","Propeller-Shaped Aluminum Complexes with an Azaperylene Core in the Ligands","Inorganics","2019","7","","109","","10.3390/inorganics7090109","","","0.78224","synchrotron","","0.0957","0.0791","","","0.2134","0.2317","","","","","","1.124","","","","has coordinates,has disorder","244928","2020-10-21","18:00:00",""
"1556432","19.195","0.003","8.503","0.0013","30.611","0.005","90","","90","","90","","4996.2","1.4","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C33 H26 N2 O3 -","- C33 H26 N2 O3 -","- C264 H208 N16 O24 -","8","2","","Tsukao, M.; Hashikawa, Y.; Toyama, N.; Muraoka, M.; Murata, M.; Sasamori, T.; Wakamiya, A.; Murata, Y.","Propeller-Shaped Aluminum Complexes with an Azaperylene Core in the Ligands","Inorganics","2019","7","","109","","10.3390/inorganics7090109","","","0.71073","MoKα","","0.0659","0.0455","","","0.1057","0.1185","","","","","","1.013","","","","has coordinates,has disorder","244929","2020-10-21","18:00:00",""
"1556433","7.354","0.004","7.723","0.004","12.601","0.006","94.767","0.007","98.204","0.007","115.566","0.006","630.5","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H21 Al N2 S2 -","- C10 H20 Al N2 S2 -","- C20 H40 Al2 N4 S4 -","2","1","","Yang, X.; Lunsford, A.; Darensbourg, M.Y.","Connecting Main-Group Metals (Al, Ga, In) and Tungsten(0) Carbonyls via the N2S2 Metallo-Ligand Strategy","Inorganics","2019","7","","115","","10.3390/inorganics7090115","","","0.71073","MoKα","","0.1185","0.0733","","","0.1248","0.1386","","","","","","1.25","","","","has coordinates","244930","2020-10-21","18:00:00",""
"1556434","7.3341","0.0005","7.6637","0.0005","12.6658","0.0009","94.557","0.002","98.228","0.002","114.796","0.002","631.86","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H18 Cl Ga N2 S2 -","- C9 H18 Cl Ga N2 S2 -","- C18 H36 Cl2 Ga2 N4 S4 -","2","1","","Yang, X.; Lunsford, A.; Darensbourg, M.Y.","Connecting Main-Group Metals (Al, Ga, In) and Tungsten(0) Carbonyls via the N2S2 Metallo-Ligand Strategy","Inorganics","2019","7","","115","","10.3390/inorganics7090115","","x-ray","1.54178","CuKα","","0.05","0.0498","","","0.1389","0.1392","","","","","","1.04","","","","has coordinates","244931","2020-10-21","18:00:00",""
"1556435","12.7424","0.0006","7.3373","0.0003","15.3561","0.0007","90","","114.107","0.001","90","","1310.5","0.1","143","2","143.19","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H18 Cl In N2 S2 -","- C9 H18 Cl In N2 S2 -","- C36 H72 Cl4 In4 N8 S8 -","4","1","","Yang, X.; Lunsford, A.; Darensbourg, M.Y.","Connecting Main-Group Metals (Al, Ga, In) and Tungsten(0) Carbonyls via the N2S2 Metallo-Ligand Strategy","Inorganics","2019","7","","115","","10.3390/inorganics7090115","","x-ray","1.54178","CuKα","","0.0277","0.0275","","","0.0716","0.072","","","","","","1.198","","","","has coordinates","276143","2022-06-22","06:24:15",""
"1556436","8.2266","0.0011","19.245","0.002","12.8581","0.0018","90","","95.932","0.008","90","","2024.8","0.4","100","","100.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Cl Ga N2 O5 S2 W -","- C14 H18 Cl Ga N2 O5 S2 W -","- C56 H72 Cl4 Ga4 N8 O20 S8 W4 -","4","1","","Yang, X.; Lunsford, A.; Darensbourg, M.Y.","Connecting Main-Group Metals (Al, Ga, In) and Tungsten(0) Carbonyls via the N2S2 Metallo-Ligand Strategy","Inorganics","2019","7","","115","","10.3390/inorganics7090115","","x-ray","1.54184","CuKα","","0.0344","0.032","","","0.0781","0.08","","","","","","1.026","","","","has coordinates,has disorder","244933","2020-10-21","18:00:00",""
"1556437","18.7674","0.0009","18.103","0.0008","17.593","0.0007","90","","90","","90","","5977.2","0.5","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H44 Co N4 Si4 -","- C22 H44 Co N4 Si4 -","- C176 H352 Co8 N32 Si32 -","8","2","","Muller, I.; Schneider, C.; Pietzonka, C.; Kraus, F.; Werncke, C.G.","Reduction of 2,2'-Bipyridine by Quasi-Linear 3d-Metal(I) Silylamides-A Structural and Spectroscopic Study","Inorganics","2019","7","","117","","10.3390/inorganics7100117","","","0.71073","MoKα","","0.0307","0.028","","","0.067","0.0679","","","","","","1.014","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556438","10.8097","0.0005","13.2648","0.0006","19.9051","0.001","77.712","0.002","80.199","0.002","83.606","0.002","2739.7","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H84 Co K N4 O8 Si4 -","- C42 H84 Co K N4 O8 Si4 -","- C84 H168 Co2 K2 N8 O16 Si8 -","2","1","","Muller, I.; Schneider, C.; Pietzonka, C.; Kraus, F.; Werncke, C.G.","Reduction of 2,2'-Bipyridine by Quasi-Linear 3d-Metal(I) Silylamides-A Structural and Spectroscopic Study","Inorganics","2019","7","","117","","10.3390/inorganics7100117","","x-ray","0.71073","MoKα","","0.0779","0.042","","","0.0738","0.083","","","","","","1.017","","","","has coordinates,has disorder","301780","2025-08-18","21:43:35",""
"1556439","11.6269","0.0002","21.5546","0.0004","21.856","0.0004","95.633","0.002","89.892","0.001","90.377","0.002","5450.83","0.17","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H84 Cr K N4 O8 Si4 -","- C42 H84 Cr K N4 O8 Si4 -","- C168 H336 Cr4 K4 N16 O32 Si16 -","4","2","","Muller, I.; Schneider, C.; Pietzonka, C.; Kraus, F.; Werncke, C.G.","Reduction of 2,2'-Bipyridine by Quasi-Linear 3d-Metal(I) Silylamides-A Structural and Spectroscopic Study","Inorganics","2019","7","","117","","10.3390/inorganics7100117","","","0.71073","MoKα","","0.0675","0.0563","","","0.1447","0.1502","","","","","","1.075","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556440","10.8613","0.0005","13.2627","0.0006","19.8669","0.0009","77.597","0.001","80.062","0.002","83.452","0.002","2744.3","0.2","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H84 Fe K N4 O8 Si4 -","- C42 H84 Fe K N4 O8 Si4 -","- C84 H168 Fe2 K2 N8 O16 Si8 -","2","1","","Muller, I.; Schneider, C.; Pietzonka, C.; Kraus, F.; Werncke, C.G.","Reduction of 2,2'-Bipyridine by Quasi-Linear 3d-Metal(I) Silylamides-A Structural and Spectroscopic Study","Inorganics","2019","7","","117","","10.3390/inorganics7100117","","x-ray","0.71073","MoKα","","0.0384","0.028","","","0.0634","0.0675","","","","","","1.06","","","","has coordinates,has disorder","301780","2025-08-18","21:43:35",""
"1556441","34.8403","0.0017","18.4715","0.0011","14.5302","0.0008","90","","96.555","0.004","90","","9289.8","0.9","150","","150","","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C34 H68 K Mn N4 O6 Si4 -","- C34 H68 K Mn N4 O6 Si4 -","- C272 H544 K8 Mn8 N32 O48 Si32 -","8","2","","Muller, I.; Schneider, C.; Pietzonka, C.; Kraus, F.; Werncke, C.G.","Reduction of 2,2'-Bipyridine by Quasi-Linear 3d-Metal(I) Silylamides-A Structural and Spectroscopic Study","Inorganics","2019","7","","117","","10.3390/inorganics7100117","","","0.71073","MoKα","","0.0512","0.0368","","","0.0753","0.0786","","","","","","0.911","","","","has coordinates,has disorder","244938","2020-10-21","18:00:00",""
"1556442","12.1899","0.0007","18.4365","0.001","22.8273","0.0013","90","","95.423","0.002","90","","5107.2","0.5","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H78 K N4 O7 Si4 Zn -","- C38 H78 K N4 O7 Si4 Zn -","- C152 H312 K4 N16 O28 Si16 Zn4 -","4","1","","Muller, I.; Schneider, C.; Pietzonka, C.; Kraus, F.; Werncke, C.G.","Reduction of 2,2'-Bipyridine by Quasi-Linear 3d-Metal(I) Silylamides-A Structural and Spectroscopic Study","Inorganics","2019","7","","117","","10.3390/inorganics7100117","","x-ray","0.71073","MoKα","","0.1506","0.1281","","","0.2499","0.2596","","","","","","1.086","","","","has coordinates,has disorder","244939","2020-10-21","18:00:00",""
"1556443","18.8806","0.0012","18.056","0.0013","17.6133","0.0017","90","","90","","90","","6004.5","0.8","100","","100","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H44 N4 Si4 Zn -","- C22 H44 N4 Si4 Zn -","- C176 H352 N32 Si32 Zn8 -","8","2","","Muller, I.; Schneider, C.; Pietzonka, C.; Kraus, F.; Werncke, C.G.","Reduction of 2,2'-Bipyridine by Quasi-Linear 3d-Metal(I) Silylamides-A Structural and Spectroscopic Study","Inorganics","2019","7","","117","","10.3390/inorganics7100117","","","0.71073","MoKα","","0.0445","0.034","","","0.07","0.0718","","","","","","0.969","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556444","9.2195","0.0006","5.7344","0.0004","32.1204","0.0016","90","","93.209","0.003","90","","1695.49","0.18","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H18 I2 N8 O8 S2 -","- C32 H18 I2 N8 O8 S2 -","- C64 H36 I4 N16 O16 S4 -","2","0.5","","Hardin, A.E.S.; Ellington, T.L.; Nguyen, S.T.; Rheingold, A.L.; Tschumper, G.S.; Watkins, D.L.; Hammer, N.I.","A Raman Spectroscopic and Computational Study of New Aromatic Pyrimidine-Based Halogen Bond Acceptors","Inorganics","2019","7","","119","","10.3390/inorganics7100119","","x-ray","0.71073","MoKα","K-L~3~","0.047","0.0438","","","0.1022","0.104","","","","","","1.164","","","","has coordinates,has disorder","244941","2020-10-21","18:00:00",""
"1556445","6.9398","0.001","16.126","0.002","18.517","0.003","79.34","0.004","80.01","0.004","89.242","0.004","2005.2","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H9 I N4 O5 -","- C16 H9 I N4 O5 -","- C64 H36 I4 N16 O20 -","4","2","","Hardin, A.E.S.; Ellington, T.L.; Nguyen, S.T.; Rheingold, A.L.; Tschumper, G.S.; Watkins, D.L.; Hammer, N.I.","A Raman Spectroscopic and Computational Study of New Aromatic Pyrimidine-Based Halogen Bond Acceptors","Inorganics","2019","7","","119","","10.3390/inorganics7100119","","x-ray","0.71073","MoKα","K-L~3~","0.0672","0.0484","","","0.1119","0.122","","","","","","1.043","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556577","5.223","0.001","12.435","0.003","5.563","0.0011","90","","111.14","0.03","90","","336.99","0.14","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","alpha-glycine","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C8 H20 N4 O8 -","4","1","","Broadhurst, Edward T.; Xu, Hongyi; Clabbers, Max T. B.; Lightowler, Molly; Nudelman, Fabio; Zou, Xiaodong; Parsons, Simon","Polymorph evolution during crystal growth studied by 3D electron diffraction","IUCrJ","2020","7","1","5","9","10.1107/S2052252519016105","","","0.02508","electrons","","0.2468","0.2188","","","0.4858","0.5176","","","","","","1.058","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556578","5.311","0.0011","6.454","0.0013","5.694","0.0011","90","","112.86","0.03","90","","179.84","0.07","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","beta-glycine","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C4 H10 N2 O4 -","2","1","","Broadhurst, Edward T.; Xu, Hongyi; Clabbers, Max T. B.; Lightowler, Molly; Nudelman, Fabio; Zou, Xiaodong; Parsons, Simon","Polymorph evolution during crystal growth studied by 3D electron diffraction","IUCrJ","2020","7","1","5","9","10.1107/S2052252519016105","","","0.02508","electrons","","0.1379","0.1276","","","0.2894","0.2964","","","","","","1.18","","","","has coordinates","247895","2020-10-21","18:00:00",""
"1556579","7.395","0.001","7.395","0.001","5.75","0.0012","90","","90","","120","","272.32","0.08","103","2","103","2","","","","","","","","4","P 31","P 31","144","gamma-glycine","","","- C2 H5 N O2 -","- C2 H5 N O2 -","- C6 H15 N3 O6 -","3","1","","Broadhurst, Edward T.; Xu, Hongyi; Clabbers, Max T. B.; Lightowler, Molly; Nudelman, Fabio; Zou, Xiaodong; Parsons, Simon","Polymorph evolution during crystal growth studied by 3D electron diffraction","IUCrJ","2020","7","1","5","9","10.1107/S2052252519016105","","","0.02508","electrons","","0.4088","0.3064","","","0.6299","0.7029","","","","","","1.013","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556622","14.0474","0.0011","17.4236","0.0014","18.3028","0.0013","90","","109.786","0.002","90","","4215.3","0.6","123","","123","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H41 Cu F6 N O P3 S -","- C45 H41 Cu F6 N O P3 S -","- C180 H164 Cu4 F24 N4 O4 P12 S4 -","4","1","","Nohara, I.; Prescimone, A.; Housecroft, C.E.; Constable, E.C.","Softening the Donor-Set: From [Cu(P^P)(N^N)][PF6] to [Cu(P^P)(N^S)][PF6]","Inorganics","2019","7","","11","","10.3390/inorganics7010011","","","1.5418","CuKα","","0.0762","0.0743","","0.1728","0.1724","0.1728","","","","","","0.9944","","","","has coordinates,has disorder","245259","2020-10-21","18:00:00",""
"1556623","13.8102","0.0004","18.4985","0.0006","18.0974","0.0006","90","","107.745","0.0016","90","","4403.3","0.2","123","","123","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H43 Cu F6 N O P3 S -","- C46 H43 Cu F6 N O P3 S -","- C184 H172 Cu4 F24 N4 O4 P12 S4 -","4","1","","Nohara, I.; Prescimone, A.; Housecroft, C.E.; Constable, E.C.","Softening the Donor-Set: From [Cu(P^P)(N^N)][PF6] to [Cu(P^P)(N^S)][PF6]","Inorganics","2019","7","","11","","10.3390/inorganics7010011","","","1.54178","CuKα","","0.0617","0.053","","0.1388","0.135","0.1388","","","","","","0.9911","","","","has coordinates","245260","2020-10-21","18:00:00",""
"1556624","9.0847","0.0006","10.5878","0.0008","13.3058","0.0009","70.313","0.003","82.104","0.003","76.733","0.003","1170.35","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N O4 S -","- C13 H11 N O4 S -","- C52 H44 N4 O16 S4 -","4","2","","Hazra, S.; Rocha, B.G.M.; Guedes da Silva, M.F.C.; Karmakar, A.; Pombeiro, A.J.L.","Syntheses, Structures, and Catalytic Hydrocarbon Oxidation Properties of N-Heterocycle-Sulfonated Schiff Base Copper(II) Complexes","Inorganics","2019","7","","17","","10.3390/inorganics7020017","","","0.71069","MoKα","","0.1101","0.051","","","0.0991","0.1129","","","","","","0.919","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556625","9.5036","0.0004","18.3619","0.0008","11.339","0.0005","90","","91.883","0.002","90","","1977.63","0.15","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cu N2 O5 S -","- C20 H20 Cu N2 O5 S -","- C80 H80 Cu4 N8 O20 S4 -","4","1","","Hazra, S.; Rocha, B.G.M.; Guedes da Silva, M.F.C.; Karmakar, A.; Pombeiro, A.J.L.","Syntheses, Structures, and Catalytic Hydrocarbon Oxidation Properties of N-Heterocycle-Sulfonated Schiff Base Copper(II) Complexes","Inorganics","2019","7","","17","","10.3390/inorganics7020017","","","0.71073","MoKα","","0.0594","0.0373","","","0.0759","0.0838","","","","","","1.017","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556626","8.1099","0.0002","29.4538","0.0007","10.5303","0.0003","90","0.0009","109.395","0.0009","90","0.0009","2372.6","0.11","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 Cu N3 O5 S -","- C24 H21 Cu N3 O5 S -","- C96 H84 Cu4 N12 O20 S4 -","4","1","","Hazra, S.; Rocha, B.G.M.; Guedes da Silva, M.F.C.; Karmakar, A.; Pombeiro, A.J.L.","Syntheses, Structures, and Catalytic Hydrocarbon Oxidation Properties of N-Heterocycle-Sulfonated Schiff Base Copper(II) Complexes","Inorganics","2019","7","","17","","10.3390/inorganics7020017","","","0.71069","MoKα","","0.0534","0.0398","","","0.0963","0.1028","","","","","","1.007","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556627","7.4426","0.0004","10.2904","0.0006","11.4557","0.0007","75.615","0.002","71.959","0.003","85.198","0.002","808.05","0.08","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 Cu2 N4 O10 S2 -","- C32 H30 Cu2 N4 O10 S2 -","- C32 H30 Cu2 N4 O10 S2 -","1","0.5","","Hazra, S.; Rocha, B.G.M.; Guedes da Silva, M.F.C.; Karmakar, A.; Pombeiro, A.J.L.","Syntheses, Structures, and Catalytic Hydrocarbon Oxidation Properties of N-Heterocycle-Sulfonated Schiff Base Copper(II) Complexes","Inorganics","2019","7","","17","","10.3390/inorganics7020017","","","0.71069","MoKα","","0.0371","0.0349","","","0.0932","0.0952","","","","","","1.098","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556628","6.9512","0.0009","18.534","0.002","13.4906","0.0015","90","","100.283","0.003","90","","1710.1","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H36 Cu2 N4 O10 S2 -","- C32 H36 Cu2 N4 O10 S2 -","- C64 H72 Cu4 N8 O20 S4 -","2","0.5","","Hazra, S.; Rocha, B.G.M.; Guedes da Silva, M.F.C.; Karmakar, A.; Pombeiro, A.J.L.","Syntheses, Structures, and Catalytic Hydrocarbon Oxidation Properties of N-Heterocycle-Sulfonated Schiff Base Copper(II) Complexes","Inorganics","2019","7","","17","","10.3390/inorganics7020017","","","0.71069","MoKα","","0.1145","0.0526","","","0.0901","0.1035","","","","","","0.92","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556656","31.732","0.002","10.7145","0.0007","17.6302","0.0014","90","","116.019","0.003","90","","5386.6","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H35 B Ru2 S5 -","- C23 H35 B Ru2 S5 -","- C184 H280 B8 Ru16 S40 -","8","1","","Saha, K.; Kaur, U.; Borthakur, R.; Ghosh, S.","Synthesis of Trithia-Borinane Complexes Stabilized in Diruthenium Core: [(Cp*Ru)2(n1-S)(n1-CS){(CH2)2S3BR}] (R = H or SMe)","Inorganics","2019","7","","21","","10.3390/inorganics7020021","","","0.71073","MoKα","","0.0667","0.0409","","","0.0772","0.088","","","","","","1.016","","","","has coordinates","245376","2020-10-21","18:00:00",""
"1556657","34.157","0.0011","8.5558","0.0003","19.8431","0.0008","90","","90","","90","","5799","0.4","296","2","296","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H37 B Ru2 S6 -","- C24 H37 B Ru2 S6 -","- C192 H296 B8 Ru16 S48 -","8","1","","Saha, K.; Kaur, U.; Borthakur, R.; Ghosh, S.","Synthesis of Trithia-Borinane Complexes Stabilized in Diruthenium Core: [(Cp*Ru)2(n1-S)(n1-CS){(CH2)2S3BR}] (R = H or SMe)","Inorganics","2019","7","","21","","10.3390/inorganics7020021","","","0.71073","MoKα","","0.095","0.0456","","","0.069","0.0855","","","","","","0.993","","","","has coordinates","245377","2020-10-21","18:00:00",""
"1556658","8.5681","0.0002","39.1432","0.0009","15.1808","0.0003","90","","95.922","0.001","90","","5064.21","0.19","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H37 B3 Ru2 S2 -","- C21 H34.5 B3 Ru2 S2 -","- C168 H276 B24 Ru16 S16 -","8","2","","Saha, K.; Kaur, U.; Borthakur, R.; Ghosh, S.","Synthesis of Trithia-Borinane Complexes Stabilized in Diruthenium Core: [(Cp*Ru)2(n1-S)(n1-CS){(CH2)2S3BR}] (R = H or SMe)","Inorganics","2019","7","","21","","10.3390/inorganics7020021","","","0.71073","MoKα","","0.0725","0.042","","","0.0899","0.1018","","","","","","1.016","","","","has coordinates,has disorder","245378","2020-10-21","18:00:00",""
"1556659","25.681","0.003","8.9889","0.0009","18.4468","0.0018","90","","133.511","0.006","90","","3088.3","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H52 Cl Cr Li2 O6 -","- C24 H52 Cl Cr Li2 O6 -","- C96 H208 Cl4 Cr4 Li8 O24 -","4","0.5","","Ojelere, O.; Graf, D.; Mathur, S.","Molecularly Engineered Lithium-Chromium Alkoxide for Selective Synthesis of LiCrO2 and Li2CrO4 Nanomaterials","Inorganics","2019","7","","22","","10.3390/inorganics7020022","","","0.71073","MoKα","","0.1314","0.0462","","","0.0854","0.1054","","","","","","0.778","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556660","14.8499","0.0006","10.7574","0.0005","22.6334","0.0011","90","","90.059","0.004","90","","3615.6","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 Cr F6 Li N2 O6 -","- C32 H44 Cr F6 Li N2 O6 -","- C128 H176 Cr4 F24 Li4 N8 O24 -","4","1","","Ojelere, O.; Graf, D.; Mathur, S.","Molecularly Engineered Lithium-Chromium Alkoxide for Selective Synthesis of LiCrO2 and Li2CrO4 Nanomaterials","Inorganics","2019","7","","22","","10.3390/inorganics7020022","","","0.71073","MoKα","","0.1149","0.0679","","","0.1627","0.1826","","","","","","1.04","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556661","29.161","0.003","30.102","0.003","31.045","0.003","90","","102.323","0.002","90","","26624","5","100","2","100","2","","","","","","","synthetical product","7","C 1 2/c 1","-C 2yc","15","hexakis[hydrido-2,2',2''-boranetriyltris(6-tert-butylpyrida- zine-3(2H)-thione)-zinc iodide] n-hexane solvate (1:18)","hexakis[hydrido-2,2',2''-boranetriyltris(6-tert-butylpyrida- zine-3(2H)-thione)-zinc iodide] n-hexane solvate (1:18)","","- C144 H204 B6 I6 N36 S18 Zn6 -","- C144 H204 B6 I6 N36 S18 Zn6 -","- C576 H816 B24 I24 N144 S72 Zn24 -","4","0.5","","Tuchler, M.; Rambock, M.; Glanzer, S.; Zangger, K.; Belaj, F.; Mosch-Zanetti, N.C.","Mono- and Hexanuclear Zinc Halide Complexes with Soft Thiopyridazine Based Scorpionate Ligands","Inorganics","2019","7","","24","","10.3390/inorganics7020024","","","0.71073","MoKα","","0.0537","0.0399","","","0.11","0.1151","","","","","","1.134","","","","has coordinates,has disorder","245381","2020-10-21","18:00:00",""
"1556662","10.2147","0.0003","8.6489","0.0002","27.2498","0.0008","90","","96.6196","0.0013","90","","2391.36","0.11","100","2","100","2","","","","","","","synthetical product","6","P 1 21/c 1","-P 2ybc","14","dibromo-bis(6-tert-butyl-4-methylpyridazine-3(2H)-thione)-zinc","dibromo-bis(6-tert-butyl-4-methylpyridazine-3(2H)-thione)-zinc","","- C18 H28 Br2 N4 S2 Zn -","- C18 H28 Br2 N4 S2 Zn -","- C72 H112 Br8 N16 S8 Zn4 -","4","1","","Tuchler, M.; Rambock, M.; Glanzer, S.; Zangger, K.; Belaj, F.; Mosch-Zanetti, N.C.","Mono- and Hexanuclear Zinc Halide Complexes with Soft Thiopyridazine Based Scorpionate Ligands","Inorganics","2019","7","","24","","10.3390/inorganics7020024","","","0.71073","MoKα","","0.0299","0.0224","","","0.0481","0.05","","","","","","1.046","","","","has coordinates","245381","2020-10-21","18:00:00",""
"1556663","16.6456","0.0019","16.9851","0.0019","34.357","0.004","90","","90","","90","","9713.7","1.9","100","2","100","2","","","","","","","synthetical product","7","P 21 21 21","P 2ac 2ab","19","bromo-(6-tert-butyl-4-methyl-3(2H)-pyridazine-thionato-S)-[hydri- do-tris(6-tert-butyl-4-methyl-3(2H)-pyridazine-thionato-H,S,S')-borate]-zinc","bromo-(6-tert-butyl-4-methyl-3(2H)-pyridazine-thionato-S)-[hydri- do-tris(6-tert-butyl-4-methyl-3(2H)-pyridazine-thionato-H,S,S')-borate]-zinc","","- C36 H54 B Br N8 S4 Zn -","- C36 H54 B Br N8 S4 Zn -","- C288 H432 B8 Br8 N64 S32 Zn8 -","8","2","","Tuchler, M.; Rambock, M.; Glanzer, S.; Zangger, K.; Belaj, F.; Mosch-Zanetti, N.C.","Mono- and Hexanuclear Zinc Halide Complexes with Soft Thiopyridazine Based Scorpionate Ligands","Inorganics","2019","7","","24","","10.3390/inorganics7020024","","","0.71073","MoKα","","0.0975","0.0526","","","0.116","0.1315","","","","","","1.014","","","","has coordinates","245381","2020-10-21","18:00:00",""
"1556664","23.323","0.005","14.555","0.003","17.009","0.007","90","","90","0.01","90","","5774","3","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C24 H37 B4 Cr O4 W2 -","- C24 H30 B4 Cr O4 W2 -","- C192 H240 B32 Cr8 O32 W16 -","8","2","","Bag, R.; Saha, S.; Borthakur, R.; Mondal, B.; Roisnel, T.; Dorcet, V.; Halet, J.-F.; Ghosh, S.","Synthesis, Structures and Chemistry of the Metallaboranes of Group 4-9 with M2B5 Core Having a Cross Cluster M-M Bond","Inorganics","2019","7","","27","","10.3390/inorganics7030027","","","0.71073","MoKα","","0.2386","0.0879","","","0.158","0.2215","","","","","","0.997","","","","has coordinates","245382","2020-10-21","18:00:00",""
"1556665","16.3096","0.0016","18.8186","0.0018","19.9272","0.0018","85.532","0.003","71.947","0.003","89.111","0.003","5797.1","1","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C24 H30 B4 Mo O4 W2 -","- C24 H30 B4 Mo O4 W2 -","- C192 H240 B32 Mo8 O32 W16 -","8","4","","Bag, R.; Saha, S.; Borthakur, R.; Mondal, B.; Roisnel, T.; Dorcet, V.; Halet, J.-F.; Ghosh, S.","Synthesis, Structures and Chemistry of the Metallaboranes of Group 4-9 with M2B5 Core Having a Cross Cluster M-M Bond","Inorganics","2019","7","","27","","10.3390/inorganics7030027","","x-ray","0.71073","MoKα","","0.0458","0.0349","","","0.0819","0.088","","","","","","1.065","","","","has coordinates","245383","2020-10-21","18:00:00",""
"1556666","11.6885","0.0013","16.2795","0.0016","15.0773","0.0017","90","","110.538","0.004","90","","2686.6","0.5","150","","150","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H38 B4 Fe O3 W2 -","- C23 H38 B4 Fe O3 W2 -","- C92 H152 B16 Fe4 O12 W8 -","4","1","","Bag, R.; Saha, S.; Borthakur, R.; Mondal, B.; Roisnel, T.; Dorcet, V.; Halet, J.-F.; Ghosh, S.","Synthesis, Structures and Chemistry of the Metallaboranes of Group 4-9 with M2B5 Core Having a Cross Cluster M-M Bond","Inorganics","2019","7","","27","","10.3390/inorganics7030027","","x-ray","0.71073","MoKα","","0.0421","0.0379","","","0.1175","0.1236","","","","","","1.063","","","","has coordinates","245384","2020-10-21","18:00:00",""
"1556667","19.454","0.002","13.243","0.0011","21.905","0.002","90","","94.494","0.004","90","","5626","0.9","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 B4 Cr Mo2 O4 -","- C24 H34 B4 Cr Mo2 O4 -","- C192 H272 B32 Cr8 Mo16 O32 -","8","2","","Bag, R.; Saha, S.; Borthakur, R.; Mondal, B.; Roisnel, T.; Dorcet, V.; Halet, J.-F.; Ghosh, S.","Synthesis, Structures and Chemistry of the Metallaboranes of Group 4-9 with M2B5 Core Having a Cross Cluster M-M Bond","Inorganics","2019","7","","27","","10.3390/inorganics7030027","","x-ray","0.71073","MoKα","","0.1054","0.081","","","0.1827","0.2013","","","","","","1.018","","","","has coordinates","245385","2020-10-21","18:00:00",""
"1556668","16.842","0.0015","19.051","0.002","19.39","0.002","85.443","0.004","79.671","0.003","70.858","0.003","5780.8","1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 B4 O4 W3 -","- C24 H30 B4 O4 W3 -","- C192 H240 B32 O32 W24 -","8","4","","Bag, R.; Saha, S.; Borthakur, R.; Mondal, B.; Roisnel, T.; Dorcet, V.; Halet, J.-F.; Ghosh, S.","Synthesis, Structures and Chemistry of the Metallaboranes of Group 4-9 with M2B5 Core Having a Cross Cluster M-M Bond","Inorganics","2019","7","","27","","10.3390/inorganics7030027","","x-ray","0.71073","MoKα","","0.0994","0.088","","","0.1854","0.1952","","","","","","1.135","","","","has coordinates","245386","2020-10-21","18:00:00",""
"1556669","8.9838","0.0002","20.6008","0.0005","19.6703","0.0006","90","","102.45","0.003","90","","3554.84","0.16","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38.44 H32.61 Au2 Cl2.84 O1.72 P2 -","- C38.442 H32.605 Au2 Cl2.837 O1.721 P2 -","- C153.768 H130.42 Au8 Cl11.348 O6.884 P8 -","4","1","","Lankelma, M.; Vreeken, V.; Siegler, M.A.; van der Vlugt, J.I.","Dinuclear Gold Complexes Supported by Wide Bite Angle Diphosphines for Preorganization-Induced Selective Dual-Gold Catalysis","Inorganics","2019","7","","28","","10.3390/inorganics7030028","","","1.54178","CuKα","","0.0386","0.0323","","","0.0765","0.0783","","","","","","0.992","","","","has coordinates,has disorder","245387","2020-10-21","18:00:00",""
"1556670","10.9408","0.0003","13.9559","0.0004","22.9525","0.0008","88.551","0.003","87.044","0.003","89.587","0.002","3498.74","0.19","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H26 Au2 Cl F6 O P2 Sb -","- C36 H26 Au2 Cl F6 O P2 Sb -","- C144 H104 Au8 Cl4 F24 O4 P8 Sb4 -","4","2","","Lankelma, M.; Vreeken, V.; Siegler, M.A.; van der Vlugt, J.I.","Dinuclear Gold Complexes Supported by Wide Bite Angle Diphosphines for Preorganization-Induced Selective Dual-Gold Catalysis","Inorganics","2019","7","","28","","10.3390/inorganics7030028","","","1.54178","CuKα","","0.0451","0.0382","","","0.1077","0.1116","","","","","","1.038","","","","has coordinates","274176","2022-03-31","10:10:26",""
"1556671","13.9459","0.0008","31.1012","0.0019","10.9557","0.0007","90","","105.449","0.002","90","","4580.2","0.5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H49 Au2 F6 O P2 Sb -","- C49 H49 Au2 F6 O P2 Sb -","- C196 H196 Au8 F24 O4 P8 Sb4 -","4","1","","Lankelma, M.; Vreeken, V.; Siegler, M.A.; van der Vlugt, J.I.","Dinuclear Gold Complexes Supported by Wide Bite Angle Diphosphines for Preorganization-Induced Selective Dual-Gold Catalysis","Inorganics","2019","7","","28","","10.3390/inorganics7030028","","","0.71073","MoKα","","0.0661","0.0419","","","0.0942","0.1088","","","","","","1.083","","","","has coordinates,has disorder","245389","2020-10-21","18:00:00",""
"1556672","8.797","0.003","12.528","0.004","18.181","0.004","90","0","94.3","0.02","90","0","1998.1","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Fe2 N O5 S3 -","- C16 H15 Fe2 N O5 S3 -","- C64 H60 Fe8 N4 O20 S12 -","4","1","","Tard, C.; Borg, S.J.; Fairhurst, S.A.; Pickett, C.J.; Best, S.P.","Electronic Communication between Dithiolato-Bridged Diiron Carbonyl and S-Bridged Redox-Active Centres","Inorganics","2019","7","","37","","10.3390/inorganics7030037","","","0.71073","MoKα","","0.0431","0.0272","","","0.0587","0.066","","","","","","1.047","","","","has coordinates","245390","2020-10-21","18:00:00",""
"1556678","12.2207","0.0013","8.2084","0.0009","14.738","0.0016","90","","105.697","0.0019","90","","1423.3","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(4-pyrene-1-yl)pyridine","","- C21 H13 N -","- C21 H13 N -","- C84 H52 N4 -","4","1","","Lucenti, E.; Forni, A.; Marinotto, D.; Previtali, A.; Righetto, S.; Cariati, E.","Tuning the Linear and Nonlinear Optical Properties of Pyrene-Pyridine Chromophores by Protonation and Complexation to d10 Metal Centers","Inorganics","2019","7","","38","","10.3390/inorganics7030038","","","0.71073","MoKα","","0.1251","0.0543","","","0.1299","0.1669","","","","","","0.986","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556679","8.2054","0.001","9.7248","0.0012","10.4571","0.0012","85.133","0.002","79.4","0.002","74.341","0.002","789.21","0.16","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","4-(2-(pyren-1-yl)ethyl)pyridine","","- C23 H17 N -","- C23 H17 N -","- C46 H34 N2 -","2","1","","Lucenti, E.; Forni, A.; Marinotto, D.; Previtali, A.; Righetto, S.; Cariati, E.","Tuning the Linear and Nonlinear Optical Properties of Pyrene-Pyridine Chromophores by Protonation and Complexation to d10 Metal Centers","Inorganics","2019","7","","38","","10.3390/inorganics7030038","","","0.71073","MoKα","","0.0818","0.0494","","","0.1287","0.153","","","","","","1.042","","","","has coordinates,has disorder","301780","2025-08-18","21:43:35",""
"1556680","20.4752","0.0009","4.502","0.0002","20.208","0.0009","90","","103.158","0.001","90","","1813.86","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Cu I N -","- C23 H17 Cu I N -","- C92 H68 Cu4 I4 N4 -","4","1","","Lucenti, E.; Forni, A.; Marinotto, D.; Previtali, A.; Righetto, S.; Cariati, E.","Tuning the Linear and Nonlinear Optical Properties of Pyrene-Pyridine Chromophores by Protonation and Complexation to d10 Metal Centers","Inorganics","2019","7","","38","","10.3390/inorganics7030038","","","0.71073","MoKα","","0.0493","0.0333","","","0.0771","0.0844","","","","","","1.023","","","","has coordinates","245425","2020-10-21","18:00:00",""
"1556681","12.5192","0.0009","24.7373","0.0018","11.2498","0.0008","90","","90","","90","","3484","0.4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C46 H32 N2 O4 Zn -","- C45.844 H31.922 N2 O3.844 Zn -","- C183.376 H127.688 N8 O15.376 Zn4 -","4","0.5","","Lucenti, E.; Forni, A.; Marinotto, D.; Previtali, A.; Righetto, S.; Cariati, E.","Tuning the Linear and Nonlinear Optical Properties of Pyrene-Pyridine Chromophores by Protonation and Complexation to d10 Metal Centers","Inorganics","2019","7","","38","","10.3390/inorganics7030038","","","0.71073","MoKα","","0.0688","0.0517","","","0.1475","0.1629","","","","","","1.022","","","","has coordinates,has disorder","245425","2020-10-21","18:00:00",""
"1556682","16.166","0.004","11.279","0.005","12.294","0.003","90","","90","","90","","2241.6","1.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C15 H33 B10 Cl Ge N2 -","- C15 H33 B10 Cl Ge N2 -","- C60 H132 B40 Cl4 Ge4 N8 -","4","1","","Liebing, P.; Harmgarth, N.; Zorner, F.; Engelhardt, F.; Hilfert, L.; Busse, S.; Edelmann, F.T.","Synthesis and Structural Characterization of Two New Main Group Element Carboranylamidinates","Inorganics","2019","7","","41","","10.3390/inorganics7030041","","","0.71073","MoKα","","0.0496","0.048","","","0.1221","0.1231","","","","","","1.142","","","","has coordinates","245426","2020-10-21","18:00:00",""
"1556683","26.796","0.016","8.141","0.003","18.666","0.008","90","","103.29","0.04","90","","3963","3","100","1","100","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H25 B10 Cl2 N2 Sb -","- C9 H25 B10 Cl2 N2 Sb -","- C72 H200 B80 Cl16 N16 Sb8 -","8","1","","Liebing, P.; Harmgarth, N.; Zorner, F.; Engelhardt, F.; Hilfert, L.; Busse, S.; Edelmann, F.T.","Synthesis and Structural Characterization of Two New Main Group Element Carboranylamidinates","Inorganics","2019","7","","41","","10.3390/inorganics7030041","","","0.71073","MoKα","","0.0284","0.0255","","","0.0592","0.0602","","","","","","1.185","","","","has coordinates","245426","2020-10-21","18:00:00",""
"1556684","10.7068","0.0003","16.6627","0.0006","17.9475","0.0009","117.108","0.002","92.836","0.002","106.327","0.002","2675.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H70 Ni P2 S2 -","- C60 H70 Ni P2 S2 -","- C120 H140 Ni2 P4 S4 -","2","1","","Alrefai, R.; Eggenweiler, H.; Schubert, H.; Berkefeld, A.","Understanding Factors that Control the Structural (Dis)Assembly of Sulphur-Bridged Bimetallic Sites","Inorganics","2019","7","","42","","10.3390/inorganics7040042","","","0.71073","MoKα","","0.0299","0.0265","","","0.0693","0.0717","","","","","","1.019","","","","has coordinates","245427","2020-10-21","18:00:00",""
"1556685","8.9541","0.0003","14.157","0.0004","16.8972","0.0005","104.278","0.001","98.592","0.001","97.958","0.001","2017.85","0.11","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H44 F6 N Ni O4 P S3 -","- C38 H44 F6 N Ni O4 P S3 -","- C76 H88 F12 N2 Ni2 O8 P2 S6 -","2","1","","Alrefai, R.; Eggenweiler, H.; Schubert, H.; Berkefeld, A.","Understanding Factors that Control the Structural (Dis)Assembly of Sulphur-Bridged Bimetallic Sites","Inorganics","2019","7","","42","","10.3390/inorganics7040042","","","0.71073","MoKα","","0.0355","0.0299","","","0.0788","0.0824","","","","","","1.013","","","","has coordinates,has disorder","245427","2020-10-21","18:00:00",""
"1556686","26.0212","0.0003","9.1562","0.0001","13.6318","0.0002","90","","99.58","0.001","90","","3202.55","0.07","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H20 B6 N3 O13.5 Zn -","- C4 H20 B6 N3 O13.5 Zn -","- C32 H160 B48 N24 O108 Zn8 -","8","1","","Altahan, M.A.; Beckett, M.A.; Coles, S.J.; Horton, P.N.","Hexaborate(2-) and Dodecaborate(6-) Anions as Ligands to Zinc(II) Centres: Self-Assembly and Single-Crystal XRD Characterization of [Zn{k3O-B6O7(OH)6}(k3N-dien)].0.5H2O (dien = NH(CH2-CH2NH2)2), (NH4)2[Zn{k2O-B6O7(OH)6}2 (H2O)2].2H2O and (1,3-pnH2)3[(k1N-H3N{CH2}3NH2) Zn{k3O-B12O18(OH)6}]2.14H2O (1,3-pn = 1,3-diaminopropane)","Inorganics","2019","7","","44","","10.3390/inorganics7040044","","x-ray","0.71075","MoKα","","0.0249","0.024","","","0.066","0.0666","","","","","","1.095","","","","has coordinates,has disorder","245428","2020-10-21","18:00:00",""
"1556687","7.4831","0.0002","7.8551","0.0002","11.0111","0.0003","108.065","0.002","95.02","0.002","90.118","0.002","612.68","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- B12 H28 N2 O30 Zn -","- B12 H28 N2 O30 Zn -","- B12 H28 N2 O30 Zn -","1","0.5","","Altahan, M.A.; Beckett, M.A.; Coles, S.J.; Horton, P.N.","Hexaborate(2-) and Dodecaborate(6-) Anions as Ligands to Zinc(II) Centres: Self-Assembly and Single-Crystal XRD Characterization of [Zn{k3O-B6O7(OH)6}(k3N-dien)].0.5H2O (dien = NH(CH2-CH2NH2)2), (NH4)2[Zn{k2O-B6O7(OH)6}2 (H2O)2].2H2O and (1,3-pnH2)3[(k1N-H3N{CH2}3NH2) Zn{k3O-B12O18(OH)6}]2.14H2O (1,3-pn = 1,3-diaminopropane)","Inorganics","2019","7","","44","","10.3390/inorganics7040044","","x-ray","0.71075","MoKα","K-L~3~","0.0214","0.0212","","","0.0557","0.0559","","","","","","1.068","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556688","9.3681","0.0002","10.691","0.0002","19.2746","0.0004","82.954","0.002","76.156","0.002","68.655","0.002","1744.44","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C7.5 H49 B12 N5 O31 Zn -","- C7.5 H49 B12 N5 O31 Zn -","- C15 H98 B24 N10 O62 Zn2 -","2","1","","Altahan, M.A.; Beckett, M.A.; Coles, S.J.; Horton, P.N.","Hexaborate(2-) and Dodecaborate(6-) Anions as Ligands to Zinc(II) Centres: Self-Assembly and Single-Crystal XRD Characterization of [Zn{k3O-B6O7(OH)6}(k3N-dien)].0.5H2O (dien = NH(CH2-CH2NH2)2), (NH4)2[Zn{k2O-B6O7(OH)6}2 (H2O)2].2H2O and (1,3-pnH2)3[(k1N-H3N{CH2}3NH2) Zn{k3O-B12O18(OH)6}]2.14H2O (1,3-pn = 1,3-diaminopropane)","Inorganics","2019","7","","44","","10.3390/inorganics7040044","","x-ray","0.71075","MoKα","K-L~3~","0.0439","0.0425","","","0.1046","0.1053","","","","","","1.191","","","","has coordinates,has disorder","245428","2020-10-21","18:00:00",""
"1556689","8.3","0.001","16.191","0.002","21.221","0.003","108.167","0.004","94.071","0.005","104.453","0.004","2589.3","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H40 I16 N8 -","- C22 H40 I16 N8 -","- C44 H80 I32 N16 -","2","1","","Savastano, M.; Martinez-Camarena, A.; Bazzicalupi, C.; Delgado-Pinar, E.; Llinares, J.M.; Mariani, P.; Verdejo, B.; Garcia-Espana, E.; Bianchi, A.","Stabilization of Supramolecular Networks of Polyiodides with Protonated Small Tetra-azacyclophanes","Inorganics","2019","7","","48","","10.3390/inorganics7040048","","","0.71073","MoKα","","0.0397","0.0377","","","0.106","0.1083","","","","","","1.018","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556690","9.226","0.001","13.06","0.001","17.377","0.002","90","","104.671","0.003","90","","2025.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H23 I14 N4 O -","- C14 H27 I14 N4 O -","- C28 H54 I28 N8 O2 -","2","0.5","","Savastano, M.; Martinez-Camarena, A.; Bazzicalupi, C.; Delgado-Pinar, E.; Llinares, J.M.; Mariani, P.; Verdejo, B.; Garcia-Espana, E.; Bianchi, A.","Stabilization of Supramolecular Networks of Polyiodides with Protonated Small Tetra-azacyclophanes","Inorganics","2019","7","","48","","10.3390/inorganics7040048","","","0.71073","MoKα","","0.0941","0.0779","","","0.2092","0.2353","","","","","","1.09","","","","has coordinates","245429","2020-10-21","18:00:00",""
"1556691","7.706","0.005","10.274","0.005","13.666","0.005","93.846","0.005","92.271","0.005","107.216","0.005","1029.1","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(HNEt3)[(pydicOMe2)CuCl3]","Triethylammonium (Pyridine-2,6-dicarboxyl-dimethyl) trichlorido cuprate","","- C15 H25 Cl3 Cu N2 O4 -","- C15 H25 Cl3 Cu N2 O4 -","- C30 H50 Cl6 Cu2 N4 O8 -","2","1","","Butsch, K.; Sandleben, A.; Dokoohaki, M.H.; Zolghadr, A.R.; Klein, A.","Pyridine-2,6-Dicarboxylic Acid Esters (pydicR2) as O,N,O-Pincer Ligands in CuII Complexes","Inorganics","2019","7","","53","","10.3390/inorganics7040053","","","0.71073","MoKα","","0.1467","0.0399","","","0.0524","0.0688","","","","","","0.684","","","","has coordinates","245430","2020-10-21","18:00:00",""
"1556692","8.185","0.003","9.5","0.003","9.682","0.002","69.01","0.03","66.97","0.03","89.04","0.04","640.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H6 Cl2 Cu3 N2 O14 -","- C14 H6 Cl2 Cu3 N2 O14 -","- C14 H6 Cl2 Cu3 N2 O14 -","1","0.5","","Butsch, K.; Sandleben, A.; Dokoohaki, M.H.; Zolghadr, A.R.; Klein, A.","Pyridine-2,6-Dicarboxylic Acid Esters (pydicR2) as O,N,O-Pincer Ligands in CuII Complexes","Inorganics","2019","7","","53","","10.3390/inorganics7040053","","","0.71073","MoKα","","0.1291","0.0813","","","0.2361","0.2593","","","","","","1.015","","","","has coordinates","245430","2020-10-21","18:00:00",""
"1556693","13.52","0.005","14.455","0.005","19.496","0.005","90","","90","","90","","3810","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","pydicOIPh","Bis(2-iodophenyl)pyridine-2,6-dicarboxylate","","- C19 H11 I2 N O4 -","- C19 H11 I2 N O4 -","- C152 H88 I16 N8 O32 -","8","1","","Butsch, K.; Sandleben, A.; Dokoohaki, M.H.; Zolghadr, A.R.; Klein, A.","Pyridine-2,6-Dicarboxylic Acid Esters (pydicR2) as O,N,O-Pincer Ligands in CuII Complexes","Inorganics","2019","7","","53","","10.3390/inorganics7040053","","","0.71073","MoKα","","0.1272","0.0329","","","0.0522","0.0671","","","","","","0.739","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556694","9.5916","0.001","33.666","0.003","13.3219","0.0013","90","","105.255","0.003","90","","4150.2","0.7","150","0.1","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 N4 Ni -","- C10 H12 N4 Ni -","- C160 H192 N64 Ni16 -","16","2","","Wang, D.; Moutet, J.; Tricoire, M.; Cordier, M.; Nocton, G.","Reactive Heterobimetallic Complex Combining Divalent Ytterbium and Dimethyl Nickel Fragments","Inorganics","2019","7","","58","","10.3390/inorganics7050058","","","0.71069","MoKα","","0.0423","0.0308","","","0.0742","0.0793","","","","","","1.038","","","","has coordinates","245431","2020-10-21","18:00:00",""
"1556695","9.4362","0.0007","10.7558","0.0007","17.0271","0.0012","103.204","0.002","94.65","0.002","93.872","0.002","1670.3","0.2","150","0.1","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H50 N4 Ni Yb -","- C37 H50 N4 Ni Yb -","- C74 H100 N8 Ni2 Yb2 -","2","1","","Wang, D.; Moutet, J.; Tricoire, M.; Cordier, M.; Nocton, G.","Reactive Heterobimetallic Complex Combining Divalent Ytterbium and Dimethyl Nickel Fragments","Inorganics","2019","7","","58","","10.3390/inorganics7050058","","","0.71069","MoKα","","0.0267","0.0236","","","0.0571","0.0588","","","","","","0.945","","","","has coordinates,has disorder","245431","2020-10-21","18:00:00",""
"1556696","40.6382","0.0015","12.2295","0.0005","24.2274","0.0009","90","","125.09","0.001","90","","9852.3","0.7","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H53 B Br Ir O3 P4 -","- C56 H53 B Br Ir O3 P4 -","- C448 H424 B8 Br8 Ir8 O24 P32 -","8","1","","Maser, L.; Schneider, C.; Alig, L.; Langer, R.","Comparing the Acidity of (R3P)2BH-Based Donor Groups in Iridium Pincer Complexes","Inorganics","2019","7","","61","","10.3390/inorganics7050061","","","0.71073","MoKα","","0.0354","0.0277","","","0.0695","0.0728","","","","","","1.023","","","","has coordinates","245432","2020-10-21","18:00:00",""
"1556697","20.957","0.005","8.1726","0.0017","22.929","0.005","90","","106.623","0.003","90","","3763","1.4","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H45 Br2 N5 Pd -","- C43 H45 Br2 N5 Pd -","- C172 H180 Br8 N20 Pd4 -","4","1","","Messelberger, J.; Grunwald, A.; Stegner, P.; Senft, L.; Heinemann, F.W.; Munz, D.","Transmetalation from Magnesium-NHCs-Convenient Synthesis of Chelating pi-Acidic NHC Complexes","Inorganics","2019","7","","65","","10.3390/inorganics7050065","","","0.71073","MoKα","","0.1029","0.0694","","","0.1525","0.1683","","","","","","1.089","","","","has coordinates","245433","2020-10-21","18:00:00",""
"1556698","19.086","0.0008","12.8472","0.0006","20.6882","0.0008","90","","111.643","0.001","90","","4715.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H60 Br2 Mg N8 -","- C50 H60 Br2 Mg N8 -","- C200 H240 Br8 Mg4 N32 -","4","1","","Messelberger, J.; Grunwald, A.; Stegner, P.; Senft, L.; Heinemann, F.W.; Munz, D.","Transmetalation from Magnesium-NHCs-Convenient Synthesis of Chelating pi-Acidic NHC Complexes","Inorganics","2019","7","","65","","10.3390/inorganics7050065","","","0.71073","MoKα","","0.0474","0.0307","","","0.0623","0.068","","","","","","1.038","","","","has coordinates","245433","2020-10-21","18:00:00",""
"1556705","24.916","0.002","9.3586","0.0009","9.3255","0.0009","90","","92.291","0.003","90","","2172.8","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H32 Cu N6 O4 -","- C16 H32 Cu N6 O4 -","- C64 H128 Cu4 N24 O16 -","4","1","","Nesterova, O.V.; Kopylovich, M.N.; Nesterov, D.S.","A Comparative Study of the Catalytic Behaviour of Alkoxy-1,3,5-Triazapentadiene Copper(II) Complexes in Cyclohexane Oxidation","Inorganics","2019","7","","82","","10.3390/inorganics7070082","","","0.71073","MoKα","","0.098","0.0671","","","0.1395","0.1546","","","","","","1.09","","","","has coordinates,has disorder","301780","2025-08-18","21:43:35",""
"1556706","5.6535","0.0005","10.3149","0.0008","13.5498","0.001","108.336","0.003","95.921","0.003","98.615","0.003","732.01","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H16 Cl2 Cu N4 O2 -","- C10 H16 Cl2 Cu N4 O2 -","- C20 H32 Cl4 Cu2 N8 O4 -","2","1","","Gayfullina, R.; Jaaskelainen, S.; Koshevoy, I.O.; Hirva, P.","Activation of the Cyano Group at Imidazole via Copper Stimulated Alcoholysis","Inorganics","2019","7","","87","","10.3390/inorganics7070087","","","0.71073","MoKα","","0.0541","0.0363","","","0.0813","0.0878","","","","","","1.023","","","","has coordinates","245501","2020-10-21","18:00:00",""
"1556707","7.1887","0.0004","7.4368","0.0005","10.5356","0.0007","82.585","0.003","89.776","0.003","84.799","0.003","556.22","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 Cl4 Cu2 N8 O2 -","- C14 H16 Cl4 Cu2 N8 O2 -","- C14 H16 Cl4 Cu2 N8 O2 -","1","0.5","","Gayfullina, R.; Jaaskelainen, S.; Koshevoy, I.O.; Hirva, P.","Activation of the Cyano Group at Imidazole via Copper Stimulated Alcoholysis","Inorganics","2019","7","","87","","10.3390/inorganics7070087","","","0.71073","MoKα","","0.0438","0.0295","","","0.0707","0.0753","","","","","","1.05","","","","has coordinates","245502","2020-10-21","18:00:00",""
"1556708","7.3978","0.0002","7.6151","0.0002","10.7043","0.0003","81.023","0.002","88.684","0.002","84.835","0.002","593.2","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 Br4 Cu2 N8 O2 -","- C14 H16 Br4 Cu2 N8 O2 -","- C14 H16 Br4 Cu2 N8 O2 -","1","0.5","","Gayfullina, R.; Jaaskelainen, S.; Koshevoy, I.O.; Hirva, P.","Activation of the Cyano Group at Imidazole via Copper Stimulated Alcoholysis","Inorganics","2019","7","","87","","10.3390/inorganics7070087","","","0.71073","MoKα","","0.0724","0.0546","","","0.1","0.1068","","","","","","1.079","","","","has coordinates","245503","2020-10-21","18:00:00",""
"1556709","7.3737","0.0009","8.4147","0.0011","10.6554","0.0014","83.614","0.005","76.079","0.005","75.706","0.005","620.91","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H10 Br2 Cu N4 O -","- C8 H10 Br2 Cu N4 O -","- C16 H20 Br4 Cu2 N8 O2 -","2","1","","Gayfullina, R.; Jaaskelainen, S.; Koshevoy, I.O.; Hirva, P.","Activation of the Cyano Group at Imidazole via Copper Stimulated Alcoholysis","Inorganics","2019","7","","87","","10.3390/inorganics7070087","","","0.71073","MoKα","","0.0709","0.0349","","","0.0668","0.0771","","","","","","1.024","","","","has coordinates","245504","2020-10-21","18:00:00",""
"1556724","12.704","0.002","12.704","0.002","12.678","0.002","90","","90","","90","","2046.1","0.6","100","","100","","","","","","","","","4","P 4/n :2","-P 4a","85","","Au4Pt2(S-isopropyl)8","","- C24 Au4 Pt2 S8 -","- C24 Au4 Pt2 S8 -","- C48 Au8 Pt4 S16 -","2","0.25","","Hossain, Sakiat; Imai, Yukari; Motohashi, Yuichi; Chen, Zhaoheng; Suzuki, Daiki; Suzuki, Taiyo; Kataoka, Yuki; Hirata, Momoko; Ono, Tasuku; Kurashige, Wataru; Kawawaki, Tokuhisa; Yamamoto, Takahiro; Negishi, Yuichi","Understanding and designing one-dimensional assemblies of ligand-protected metal nanoclusters","Materials Horizons","2020","7","3","796","803","10.1039/C9MH01691K","","x-ray","0.71073","MoKα","","0.0587","0.0531","","","0.1483","0.1515","","","","","","1.138","","","","has coordinates,has disorder","258158","2020-10-21","18:00:00",""
"1556725","44.07","0.006","14.7091","0.0019","31.214","0.004","90","","98.553","0.002","90","","20009","5","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Au4Pt2(SCH2PhtBu)8","","- C98.5 H128 Au4 Pt2 S8 -","- C98.5 H128 Au4 Pt2 S8 -","- C788 H1024 Au32 Pt16 S64 -","8","1","","Hossain, Sakiat; Imai, Yukari; Motohashi, Yuichi; Chen, Zhaoheng; Suzuki, Daiki; Suzuki, Taiyo; Kataoka, Yuki; Hirata, Momoko; Ono, Tasuku; Kurashige, Wataru; Kawawaki, Tokuhisa; Yamamoto, Takahiro; Negishi, Yuichi","Understanding and designing one-dimensional assemblies of ligand-protected metal nanoclusters","Materials Horizons","2020","7","3","796","803","10.1039/C9MH01691K","","x-ray","0.71073","MoKα","","0.0586","0.0317","","","0.0634","0.072","","","","","","1.015","","","","has coordinates","258158","2020-10-21","18:00:00",""
"1556726","18.0367","0.0017","30.034","0.003","24.6","0.002","90","","94.589","0.001","90","","13283","2","100.15","","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Au4Pt2(SC2H4Ph)8 polymer","","- C67.5 H76 Au4 Pt2 S8 -","- C67.5 H76 Au4 Pt2 S8 -","- C540 H608 Au32 Pt16 S64 -","8","2","","Hossain, Sakiat; Imai, Yukari; Motohashi, Yuichi; Chen, Zhaoheng; Suzuki, Daiki; Suzuki, Taiyo; Kataoka, Yuki; Hirata, Momoko; Ono, Tasuku; Kurashige, Wataru; Kawawaki, Tokuhisa; Yamamoto, Takahiro; Negishi, Yuichi","Understanding and designing one-dimensional assemblies of ligand-protected metal nanoclusters","Materials Horizons","2020","7","3","796","803","10.1039/C9MH01691K","","","0.71073","MoKα","","0.0818","0.0409","","","0.0705","0.0822","","","","","","0.994","","","","has coordinates","258158","2020-10-21","18:00:00",""
"1556727","30.11","0.007","30.11","0.007","15.878","0.005","90","","90","","90","","14395","7","100","","100","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C56 Au4 Cl8 Pt2 S8 -","- C56 Au4 Cl8 Pt2 S8 -","- C448 Au32 Cl64 Pt16 S64 -","8","0.25","","Hossain, Sakiat; Imai, Yukari; Motohashi, Yuichi; Chen, Zhaoheng; Suzuki, Daiki; Suzuki, Taiyo; Kataoka, Yuki; Hirata, Momoko; Ono, Tasuku; Kurashige, Wataru; Kawawaki, Tokuhisa; Yamamoto, Takahiro; Negishi, Yuichi","Understanding and designing one-dimensional assemblies of ligand-protected metal nanoclusters","Materials Horizons","2020","7","3","796","803","10.1039/C9MH01691K","","x-ray","0.71073","MoKα","","0.148","0.1038","","","0.3015","0.3552","","","","","","1.098","","","","has coordinates","258158","2020-10-21","18:00:00",""
"1556728","12.5672","0.0018","13.4332","0.0019","14.366","0.002","110.038","0.001","107.982","0.001","103.327","0.001","2007.8","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C80 H104 Au4 Pt2 S8 -","- C80 H104 Au4 Pt2 S8 -","- C80 H104 Au4 Pt2 S8 -","1","0.5","","Hossain, Sakiat; Imai, Yukari; Motohashi, Yuichi; Chen, Zhaoheng; Suzuki, Daiki; Suzuki, Taiyo; Kataoka, Yuki; Hirata, Momoko; Ono, Tasuku; Kurashige, Wataru; Kawawaki, Tokuhisa; Yamamoto, Takahiro; Negishi, Yuichi","Understanding and designing one-dimensional assemblies of ligand-protected metal nanoclusters","Materials Horizons","2020","7","3","796","803","10.1039/C9MH01691K","","x-ray","0.71073","MoKα","","0.0263","0.0238","","","0.0625","0.0638","","","","","","1.062","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556729","35.908","0.005","27.784","0.003","33.126","0.004","90","","96.494","0.003","90","","32837","7","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- Ba0.45 Ce1.04 K0.55 Na5.62 O76.74 Si18.76 Ti6 -","- Ba0.45 Ce1.0425 K0.549 Na5.6205 O76.7345 Si18.761 Ti6 -","- Ba7.2 Ce16.68 K8.784 Na89.928 O1227.75 Si300.176 Ti96 -","16","2","","Zolotarev, Jr, Andrey A.; Krivovichev, Sergey V.; Cámara, Fernando; Bindi, Luca; Zhitova, Elena S.; Hawthorne, Frank; Sokolova, Elena","Extraordinary structural complexity of ilmajokite: a multilevel hierarchical framework structure of natural origin","IUCrJ","2020","7","1","121","128","10.1107/S2052252519016622","","","0.71073","MoKα","","0.1129","0.0807","","","0.2338","0.2638","","","","","","0.969","","","","has coordinates","247893","2020-10-21","18:00:00",""
"1556730","9.959","0.004","11.731","0.004","12.842","0.005","90","","90","","90","","1500.3","1","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C80 H96 O8 -","4","1","","Fatima, Syeda Saima; Kumar, Rajesh; Choudhary, M. Iqbal; Yousuf, Sammer","Crystal engineering of exemestane to obtain a co-crystal with enhanced urease inhibition activity","IUCrJ","2020","7","1","105","112","10.1107/S2052252519016142","","","0.71073","MoKα","","0.1518","0.0568","","","0.1362","0.1924","","","","","","0.871","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556731","10.3797","0.0014","8.3706","0.0011","10.7275","0.0014","90","","105.568","0.003","90","","897.9","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H28 N2 O2 S -","- C21 H28 N2 O2 S -","- C42 H56 N4 O4 S2 -","2","1","","Fatima, Syeda Saima; Kumar, Rajesh; Choudhary, M. Iqbal; Yousuf, Sammer","Crystal engineering of exemestane to obtain a co-crystal with enhanced urease inhibition activity","IUCrJ","2020","7","1","105","112","10.1107/S2052252519016142","","","0.71073","MoKα","","0.0734","0.0473","","","0.0968","0.11","","","","","","1.024","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1556888","14.8945","0.0001","12.1188","0.0001","10.2846","0.0001","90","","105.825","0.001","90","","1786.05","0.03","100","0.2","100","0.2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F4 N2 O4 S -","- C18 H14 F4 N2 O4 S -","- C72 H56 F16 N8 O16 S4 -","4","1","","Korlyukov, Alexander A.; Malinska, Maura; Vologzhanina, Anna V.; Goizman, Mikhail S.; Trzybinski, Damian; Wozniak, Krzysztof","Charge density view on bicalutamide molecular interactions in the monoclinic polymorph and androgen receptor binding pocket","IUCrJ","2020","7","1","71","82","10.1107/S2052252519014416","","","0.71073","MoKα","","0.033","0.02","","","","0.02","","","","","","1.066","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556889","24.633","0.011","12.093","0.004","15.509","0.006","90","","108.48","0.012","90","","4382","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H42 Cu2 N2 O8 -","- C54 H42 Cu2 N2 O8 -","- C216 H168 Cu8 N8 O32 -","4","0.5","","Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J.","Extraordinary anisotropic thermal expansion in photosalient crystals","IUCrJ","2020","7","1","83","89","10.1107/S2052252519014581","","","0.71073","MoKα","","0.0379","0.0335","","","0.0815","0.084","","","","","","1.029","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556890","24.9699","0.0008","12.1074","0.0004","15.4675","0.0004","90","","108.809","0.001","90","","4426.4","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H40 Cu2 F2 N2 O8 -","- C54 H40 Cu2 F2 N2 O8 -","- C216 H160 Cu8 F8 N8 O32 -","4","0.5","","Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J.","Extraordinary anisotropic thermal expansion in photosalient crystals","IUCrJ","2020","7","1","83","89","10.1107/S2052252519014581","","","0.71073","MoKα","","0.0457","0.0309","","","0.0731","0.0789","","","","","","1.025","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556891","25.1802","0.0018","12.0004","0.0009","15.5976","0.001","90","","108.802","0.002","90","","4461.7","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H40 Cu2 F2 N2 O8 -","- C54 H40 Cu2 F2 N2 O8 -","- C216 H160 Cu8 F8 N8 O32 -","4","0.5","","Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J.","Extraordinary anisotropic thermal expansion in photosalient crystals","IUCrJ","2020","7","1","83","89","10.1107/S2052252519014581","","","0.71073","MoKα","","0.0313","0.0269","","","0.071","0.0733","","","","","","1.069","","","","has coordinates,has disorder","301780","2025-08-18","21:43:36",""
"1556892","10.3725","0.0005","11.0398","0.0005","12.0294","0.0005","71.354","0.001","66.229","0.001","65.356","0.001","1126.6","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H40 Cu2 F2 N2 O8 -","- C54 H40 Cu2 F2 N2 O8 -","- C54 H40 Cu2 F2 N2 O8 -","1","0.5","","Yadava, Khushboo; Gallo, Gianpiero; Bette, Sebastian; Mulijanto, Caroline Evania; Karothu, Durga Prasad; Park, In-Hyeok; Medishetty, Raghavender; Naumov, Panče; Dinnebier, Robert E.; Vittal, Jagadese J.","Extraordinary anisotropic thermal expansion in photosalient crystals","IUCrJ","2020","7","1","83","89","10.1107/S2052252519014581","","","0.71073","MoKα","","0.0333","0.0283","","","0.0675","0.0701","","","","","","1.069","","","","has coordinates","246421","2020-10-21","18:00:00",""
"1556893","5.392","0.003","6.806","0.003","11.261","0.005","90","","90","","90","","413.3","0.3","293","","293","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Pyridine II","","- C5 H5 N -","- C5 H5 N -","- C20 H20 N4 -","4","1","","Giordano, Nico; Beavers, Christine M.; Campbell, Branton J.; Eigner, Václav; Gregoryanz, Eugene; Marshall, Willliam G.; Peña-Álvarez, Miriam; Teat, Simon J.; Vennari, Cara E.; Parsons, Simon","High-pressure polymorphism in pyridine","IUCrJ","2020","7","1","58","70","10.1107/S2052252519015616","","","0.49594","synchrotron","","0.04","0.029","","","0.0583","0.0602","","","","","","0.882","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1556894","5.4053","0.0004","5.4053","0.0004","13.4853","0.0014","90","","90","","90","","394","0.06","293","","293","","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","Pyridine III","","- C5 H5 N -","- C5 H5 N -","- C20 H20 N4 -","4","0.5","","Giordano, Nico; Beavers, Christine M.; Campbell, Branton J.; Eigner, Václav; Gregoryanz, Eugene; Marshall, Willliam G.; Peña-Álvarez, Miriam; Teat, Simon J.; Vennari, Cara E.; Parsons, Simon","High-pressure polymorphism in pyridine","IUCrJ","2020","7","1","58","70","10.1107/S2052252519015616","","","0.49594","synchrotron","","0.0786","0.0755","","","0.1864","0.1956","","","","","","1.137","","","","has coordinates","301780","2025-08-18","21:43:36",""
"1557387","14.2399","0.0005","7.5126","0.0003","14.7479","0.0005","90","","101.619","0.0019","90","","1545.38","0.1","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C28 H20 N2 O6 Zn -","- C28 H20 N2 O6 Zn -","- C56 H40 N4 O12 Zn2 -","2","0.5","","Park, In-Hyeok; Dey, Atanu; Sasaki, Kenta; Ohba, Masaaki; Lee, Shim Sung; Vittal, Jagadese J.","Disappeared supramolecular isomer reappears with perylene guest","IUCrJ","2020","7","2","324","330","10.1107/S2052252520001451","","","0.71073","MoKα","","0.0577","0.0485","","","0.1466","0.1522","","","","","","1.118","","","","has coordinates,has disorder","249078","2020-10-21","18:00:00",""
"1557388","20.1826","0.0009","18.7307","0.0007","17.1854","0.0006","90","","91.583","0.002","90","","6494.2","0.4","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C56 H40 N4 O12 Zn2 -","- C56 H40 N4 O12 Zn2 -","- C224 H160 N16 O48 Zn8 -","4","1","","Park, In-Hyeok; Dey, Atanu; Sasaki, Kenta; Ohba, Masaaki; Lee, Shim Sung; Vittal, Jagadese J.","Disappeared supramolecular isomer reappears with perylene guest","IUCrJ","2020","7","2","324","330","10.1107/S2052252520001451","","","1.54178","CuKα","","0.0997","0.0768","","","0.2231","0.2401","","","","","","1.091","","","","has coordinates,has disorder","249078","2020-10-21","18:00:00",""
"1557389","28.18","0.004","14.88","0.002","18.158","0.003","90","","124.421","0.006","90","","6280.8","1.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H26 N2 O6 Zn -","- C38 H26 N2 O6 Zn -","- C304 H208 N16 O48 Zn8 -","8","1","","Park, In-Hyeok; Dey, Atanu; Sasaki, Kenta; Ohba, Masaaki; Lee, Shim Sung; Vittal, Jagadese J.","Disappeared supramolecular isomer reappears with perylene guest","IUCrJ","2020","7","2","324","330","10.1107/S2052252520001451","","","1.54178","CuKα","","0.0874","0.0558","","","0.125","0.1387","","","","","","1.032","","","","has coordinates,has disorder","249078","2020-10-21","18:00:00",""
"1557481","7.9299","0.0005","9.3219","0.0004","13.5862","0.0009","87.768","0.004","76.928","0.005","76.025","0.005","949.2","0.1","290.8","0.1","290.8","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 Cl N3 O2 -","- C21 H22 Cl N3 O2 -","- C42 H44 Cl2 N6 O4 -","2","1","ED5019","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","0.71073","MoKα","","0.0783","0.0567","","","0.1406","0.1544","","","","","","1.054","","","","has coordinates,has disorder","301780","2025-08-18","21:43:37",""
"1557482","7.7631","0.0006","8.025","0.0006","16.2297","0.0012","101.784","0.006","98.374","0.006","90.687","0.006","978.32","0.13","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Cl N3 O3 -","- C21 H24 Cl N3 O3 -","- C42 H48 Cl2 N6 O6 -","2","1","","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","1.54184","CuKα","","0.0583","0.0495","","","0.1406","0.1551","","","","","","1.047","","","","has coordinates","301780","2025-08-18","21:43:37",""
"1557483","10.8864","0.0007","12.2705","0.0007","13.7811","0.001","106.966","0.006","105.782","0.006","103.324","0.005","1595.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H34 Cl2 N4 O4 -","- C35 H34 Cl2 N4 O4 -","- C70 H68 Cl4 N8 O8 -","2","1","","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","0.71073","MoKα","","0.106","0.0755","","","0.1831","0.2038","","","","","","1.058","","","","has coordinates,has disorder","249077","2020-10-21","18:00:00",""
"1557484","6.7049","0.0003","7.2778","0.0003","14.163","0.0006","77.167","0.004","79.908","0.003","65.487","0.004","610.42","0.05","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C28 H24 Cl2 N2 O4 -","2","1","","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","0.71073","MoKα","","0.0842","0.0792","","","0.2157","0.2204","","","","","","1.06","","","","has coordinates","301780","2025-08-18","21:43:37",""
"1557485","10.4803","0.0006","11.8423","0.0009","13.3309","0.0008","94.335","0.005","95.883","0.005","102.871","0.006","1596.16","0.19","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 Cl N2 O3 -","- C17 H19 Cl N2 O3 -","- C68 H76 Cl4 N8 O12 -","4","2","","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","0.71073","MoKα","","0.0786","0.0527","","","0.1072","0.1202","","","","","","1.042","","","","has coordinates","301780","2025-08-18","21:43:37",""
"1557486","7.7575","0.0008","9.4727","0.0007","13.3076","0.0013","87.515","0.007","78.596","0.008","74.174","0.008","922.2","0.15","100.02","0.1","100.02","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N3 O2 -","- C22 H25 N3 O2 -","- C44 H50 N6 O4 -","2","1","","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","0.71073","MoKα","","0.0779","0.0621","","","0.1269","0.1361","","","","","","1.104","","","","has coordinates,has disorder","301780","2025-08-18","21:43:37",""
"1557487","7.7248","0.0003","8.0592","0.0003","16.2531","0.0007","101.711","0.004","98.743","0.004","90.16","0.003","978.68","0.07","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 N3 O3 -","- C22 H27 N3 O3 -","- C44 H54 N6 O6 -","2","1","","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","0.71073","MoKα","","0.0418","0.0379","","","0.0937","0.0962","","","","","","1.035","","","","has coordinates","301780","2025-08-18","21:43:37",""
"1557488","10.7678","0.0008","11.9673","0.001","13.786","0.0011","106.152","0.007","105.842","0.007","103.49","0.007","1546.9","0.3","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C37 H40 N4 O4 -","- C37 H40 N4 O4 -","- C74 H80 N8 O8 -","2","1","","Ranjan, Subham; Devarapalli, Ramesh; Kundu, Sudeshna; Saha, Subhankar; Deolka, Shubham; Vangala, Venu R.; Reddy, C. Malla","Isomorphism: `molecular similarity to crystal structure similarity' in multicomponent forms of analgesic drugs tolfenamic and mefenamic acid","IUCrJ","2020","7","2","173","183","10.1107/S205225251901604X","","x-ray","1.54184","CuKα","","0.0807","0.0637","","","0.1701","0.1862","","","","","","1.036","","","","has coordinates,has disorder","301780","2025-08-18","21:43:37",""
"1557660","5.5195","0.0011","9.4058","0.0019","26.283","0.005","90","","90.84","0.03","90","","1364.3","0.5","113","2","113.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H24 O4 -","- C13 H24 O4 -","- C52 H96 O16 -","4","1","LQ5027","Shi, Peng; Xu, Shijie; Ma, Yiming; Tang, Weiwei; Zhang, Feng; Wang, Jingkang; Gong, Junbo","Probing the structural pathway of conformational polymorph nucleation by comparing a series of α,ω-alkanedicarboxylic acids","IUCrJ","2020","7","3","","","10.1107/S205225252000233X","","","0.71073","MoKα","","0.0808","0.0573","","","0.1826","0.2351","","","","","","1.024","","","","has coordinates","301780","2025-08-18","21:43:38",""
"1557661","5.4671","0.0003","9.2806","0.0005","29.827","0.0014","90","","94.449","0.004","90","","1508.8","0.14","128.15","","128.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 O4 -","- C15 H28 O4 -","- C60 H112 O16 -","4","1","","Shi, Peng; Xu, Shijie; Ma, Yiming; Tang, Weiwei; Zhang, Feng; Wang, Jingkang; Gong, Junbo","Probing the structural pathway of conformational polymorph nucleation by comparing a series of α,ω-alkanedicarboxylic acids","IUCrJ","2020","7","3","","","10.1107/S205225252000233X","","x-ray","0.71073","MoKα","","0.0688","0.0479","","","0.114","0.1302","","","","","","1.04","","","","has coordinates","301780","2025-08-18","21:43:38",""
"1557668","3.8629","0.0002","11.5405","0.0007","13.9513","0.0007","74.149","0.002","82.55","0.002","87.829","0.002","593.24","0.06","199","2","199","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H9 F2 N O -","- C15 H9 F2 N O -","- C30 H18 F4 N2 O2 -","2","1","","Wang, Haoran; Xing, Hao; Gong, Junyi; Zhang, Haoke; Zhang, Jun; Wei, Peifa; Yang, Guojian; Lam, Jacky W. Y.; Lu, Ran; Tang, Ben Zhong","“Living” luminogens: light driven ACQ-to-AIE transformation accompanied with solid-state actuation","Materials Horizons","2020","7","6","1566","1572","10.1039/D0MH00447B","","","0.71073","MoKα","","0.065","0.0409","","","0.0961","0.1104","","","","","","1.035","","","","has coordinates","301780","2025-08-18","21:43:38",""
"1557669","21.7576","0.0003","9.38142","0.00011","22.7647","0.0003","90","","99.6152","0.0011","90","","4581.39","0.1","100","0.1","100","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C30 H20 F2 N2 O2 -","- C30 H20 F2 N2 O2 -","- C240 H160 F16 N16 O16 -","8","2","","Wang, Haoran; Xing, Hao; Gong, Junyi; Zhang, Haoke; Zhang, Jun; Wei, Peifa; Yang, Guojian; Lam, Jacky W. Y.; Lu, Ran; Tang, Ben Zhong","“Living” luminogens: light driven ACQ-to-AIE transformation accompanied with solid-state actuation","Materials Horizons","2020","7","6","1566","1572","10.1039/D0MH00447B","","x-ray","1.54184","CuKα","","0.0482","0.0447","","","0.1112","0.1139","","","","","","1.025","","","","has coordinates","301780","2025-08-18","21:43:38",""
"1557670","8.8798","0.0006","12.2737","0.001","13.1272","0.0012","63.758","0.008","80.374","0.007","68.947","0.007","1197.53","0.19","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H18 F4 N2 O2 -","- C30 H18 F4 N2 O2 -","- C60 H36 F8 N4 O4 -","2","1","","Wang, Haoran; Xing, Hao; Gong, Junyi; Zhang, Haoke; Zhang, Jun; Wei, Peifa; Yang, Guojian; Lam, Jacky W. Y.; Lu, Ran; Tang, Ben Zhong","“Living” luminogens: light driven ACQ-to-AIE transformation accompanied with solid-state actuation","Materials Horizons","2020","7","6","1566","1572","10.1039/D0MH00447B","","x-ray","1.54184","CuKα","","0.0505","0.0397","","","0.1013","0.1063","","","","","","1.094","","","","has coordinates,has disorder","258156","2020-10-21","18:00:00",""
"1557671","9.159","0.0003","12.266","0.0005","12.8671","0.0006","107.066","0.004","107.962","0.004","106.939","0.004","1193.03","0.11","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C30 H18 F4 N2 O2 -","- C30 H18 F4 N2 O2 -","- C60 H36 F8 N4 O4 -","2","1","","Wang, Haoran; Xing, Hao; Gong, Junyi; Zhang, Haoke; Zhang, Jun; Wei, Peifa; Yang, Guojian; Lam, Jacky W. Y.; Lu, Ran; Tang, Ben Zhong","“Living” luminogens: light driven ACQ-to-AIE transformation accompanied with solid-state actuation","Materials Horizons","2020","7","6","1566","1572","10.1039/D0MH00447B","","x-ray","1.54184","CuKα","","0.0577","0.0452","","","0.1199","0.1276","","","","","","1.055","","","","has coordinates,has disorder","301780","2025-08-18","21:43:38",""
"1557672","12.9258","0.0002","11.10764","0.00016","8.24353","0.00013","90","","101.365","0.0016","90","","1160.36","0.03","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 F4 N2 O2 -","- C30 H18 F4 N2 O2 -","- C60 H36 F8 N4 O4 -","2","0.5","","Wang, Haoran; Xing, Hao; Gong, Junyi; Zhang, Haoke; Zhang, Jun; Wei, Peifa; Yang, Guojian; Lam, Jacky W. Y.; Lu, Ran; Tang, Ben Zhong","“Living” luminogens: light driven ACQ-to-AIE transformation accompanied with solid-state actuation","Materials Horizons","2020","7","6","1566","1572","10.1039/D0MH00447B","","x-ray","1.54184","CuKα","","0.0344","0.0333","","","0.0801","0.0808","","","","","","1.053","","","","has coordinates","301780","2025-08-18","21:43:38",""
"1557673","6.6501","0.0004","26.3347","0.0015","7.4237","0.0005","90","","115.269","0.003","90","","1175.7","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F N O -","- C15 H10 F N O -","- C60 H40 F4 N4 O4 -","4","1","","Wang, Haoran; Xing, Hao; Gong, Junyi; Zhang, Haoke; Zhang, Jun; Wei, Peifa; Yang, Guojian; Lam, Jacky W. Y.; Lu, Ran; Tang, Ben Zhong","“Living” luminogens: light driven ACQ-to-AIE transformation accompanied with solid-state actuation","Materials Horizons","2020","7","6","1566","1572","10.1039/D0MH00447B","","","1.54178","CuKα","","0.0822","0.0756","","","0.2251","0.2322","","","","","","1.119","","","","has coordinates","301780","2025-08-18","21:43:38",""
"1557713","2.9647","0.0004","2.9647","0.0004","13.8892","0.0003","90","","90","","120","","105.72","0.02","100","","100","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- D2.15 Mg2.28 O6 Si1.32 -","- D2.14564 Mg2.28194 O6 Si1.31946 -","- D2.14564 Mg2.28194 O6 Si1.31946 -","1","0.0277778","","Purevjav, Narangoo; Okuchi, Takuo; Hoffmann, Christina","Strong hydrogen bonding in a dense hydrous magnesium silicate discovered by neutron Laue diffraction","IUCrJ","2020","7","3","","","10.1107/S2052252520003036","powder diffraction","","","neutron","","","0.061","","","","0.053","","","2.02","","","","","","","has coordinates","249959","2020-10-21","18:00:00",""
"1557740","4.6221","0.0004","19.4673","0.0019","14.7079","0.0013","90","","98.627","0.004","90","","1308.4","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Cd O6 P2 -","- C10 H14 Cd O6 P2 -","- C40 H56 Cd4 O24 P8 -","4","1","","Zeng, Tianyu; Shi, Dajun; Cheng, Qingrong; Liao, Guiying; Zhou, Hong; Pan, Zhiquan","Construction of novel phosphonate-based MOF/P‒TiO2 heterojunction photocatalysts: enhanced photocatalytic performance and mechanistic insight","Environmental Science: Nano","2020","7","3","861","879","10.1039/C9EN01180C","","","0.71073","MoKα","","0.0936","0.05","","","0.0821","0.0904","","","","","","1.015","","","","has coordinates","258159","2020-10-21","18:00:00",""
"1558087","7.1989","0.0006","7.2267","0.0007","13.0042","0.0013","90","","90","","90","","676.53","0.11","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H8 N2 O2 -","- C5 H8 N2 O2 -","- C20 H32 N8 O8 -","4","1","","Wang, Yunzhong; Tang, Saixing; Wen, Yating; Zheng, Shuyuan; Yang, Bing; Yuan, Wang Zhang","Nonconventional luminophores with unprecedented efficiencies and color-tunable afterglows","Materials Horizons","2020","7","8","2105","2112","10.1039/D0MH00688B","","","1.54178","CuKα","","0.0386","0.0383","","","0.1041","0.1046","","","","","","1.119","","","","has coordinates","258153","2020-10-21","18:00:00",""
"1558088","9.3446","0.0015","12.244","0.002","7.3458","0.0013","90","","105.194","0.007","90","","811.1","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 H4 N2 O2 -","- C3 H4 N2 O2 -","- C24 H32 N16 O16 -","8","1","","Wang, Yunzhong; Tang, Saixing; Wen, Yating; Zheng, Shuyuan; Yang, Bing; Yuan, Wang Zhang","Nonconventional luminophores with unprecedented efficiencies and color-tunable afterglows","Materials Horizons","2020","7","8","2105","2112","10.1039/D0MH00688B","","","1.54178","CuKα","","0.0561","0.0546","","","0.1652","0.1665","","","","","","1.088","","","","has coordinates","301780","2025-08-18","21:43:38",""
"1558089","5.8982","0.0005","12.4995","0.0011","14.3372","0.001","90","","114.292","0.003","90","","963.42","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N4 O4 -","- C8 H10 N4 O4 -","- C32 H40 N16 O16 -","4","1","","Wang, Yunzhong; Tang, Saixing; Wen, Yating; Zheng, Shuyuan; Yang, Bing; Yuan, Wang Zhang","Nonconventional luminophores with unprecedented efficiencies and color-tunable afterglows","Materials Horizons","2020","7","8","2105","2112","10.1039/D0MH00688B","","","1.54178","CuKα","","0.102","0.0811","","","0.2448","0.2781","","","","","","2.107","","","","has coordinates","301780","2025-08-18","21:43:38",""
"1558090","9.597","0.003","17.769","0.005","11.34","0.004","90","","114.24","0.04","90","","1763.3","1.1","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H8 N4 O4 -","- C7 H8 N4 O4 -","- C56 H64 N32 O32 -","8","2","","Wang, Yunzhong; Tang, Saixing; Wen, Yating; Zheng, Shuyuan; Yang, Bing; Yuan, Wang Zhang","Nonconventional luminophores with unprecedented efficiencies and color-tunable afterglows","Materials Horizons","2020","7","8","2105","2112","10.1039/D0MH00688B","","","1.54178","CuKα","","0.0959","0.0922","","","0.3125","0.3149","","","","","","1.051","","","","has coordinates","301780","2025-08-18","21:43:38",""
"1558402","15.8187","0.0009","32.856","0.002","17.4013","0.0011","90","","93.728","0.002","90","","9025","0.9","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C96 H112 Cl8 I8 Mo6 Na4.5 O107 -","- C96 H112 Cl8 I8 Mo6 Na4.5 O107 -","- C192 H224 Cl16 I16 Mo12 Na9 O214 -","2","1","","Falaise, Clément; Ivanov, Anton A.; Molard, Yann; Amela Cortes, Maria; Shestopalov, Michael A.; Haouas, Mohamed; Cadot, Emmanuel; Cordier, Stéphane","From supramolecular to solid state chemistry: crystal engineering of luminescent materials by trapping molecular clusters in an aluminium-based host matrix","Materials Horizons","2020","7","9","2399","2406","10.1039/D0MH00637H","","","0.71073","MoKα","","0.0755","0.0484","","","0.123","0.1423","","","","","","1.034","","","","has coordinates","258157","2020-10-21","18:00:00",""
"1558403","23.715","0.002","23.715","0.002","56.802","0.005","90","","90","","90","","31946","5","200","","200","","","","","","","","","7","I 4 2 2","I 4 2","97","","","","- C144 H168 Br8 Cl6 Mo6 Na4 O138 -","- C144 H168 Br8 Cl6 Mo6 O142 -","- C576 H672 Br32 Cl24 Mo24 O568 -","4","0.25","","Falaise, Clément; Ivanov, Anton A.; Molard, Yann; Amela Cortes, Maria; Shestopalov, Michael A.; Haouas, Mohamed; Cadot, Emmanuel; Cordier, Stéphane","From supramolecular to solid state chemistry: crystal engineering of luminescent materials by trapping molecular clusters in an aluminium-based host matrix","Materials Horizons","2020","7","9","2399","2406","10.1039/D0MH00637H","","","0.71073","MoKα","","0.2301","0.1011","","","0.2643","0.3499","","","","","","0.988","","","","has coordinates","258157","2020-10-21","18:00:00",""
"1558404","23.7708","0.0016","23.7708","0.0016","57.456","0.004","90","","90","","90","","32466","4","200","","200","","","","","","","","","6","I 4 2 2","I 4 2","97","","","","- C144 H168 Cl6 I8 Mo6 O138 -","- C144 H168 Cl6 I8 Mo6 O137 -","- C576 H672 Cl24 I32 Mo24 O548 -","4","0.25","","Falaise, Clément; Ivanov, Anton A.; Molard, Yann; Amela Cortes, Maria; Shestopalov, Michael A.; Haouas, Mohamed; Cadot, Emmanuel; Cordier, Stéphane","From supramolecular to solid state chemistry: crystal engineering of luminescent materials by trapping molecular clusters in an aluminium-based host matrix","Materials Horizons","2020","7","9","2399","2406","10.1039/D0MH00637H","","","0.71073","MoKα","","0.1493","0.1108","","","0.2881","0.3443","","","","","","1.065","","","","has coordinates","258157","2020-10-21","18:00:00",""
"1558405","19.805","0.002","19.805","","57.843","0.007","90","","90","","120","","19649","3","200","2","200","2","","","","","","","","7","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C96 H112 Al13 Br8 Cl10 Mo6 O120 -","- C96 H112 Al13 Br8 Cl10 Mo6 O120 -","- C288 H336 Al39 Br24 Cl30 Mo18 O360 -","3","0.25","","Falaise, Clément; Ivanov, Anton A.; Molard, Yann; Amela Cortes, Maria; Shestopalov, Michael A.; Haouas, Mohamed; Cadot, Emmanuel; Cordier, Stéphane","From supramolecular to solid state chemistry: crystal engineering of luminescent materials by trapping molecular clusters in an aluminium-based host matrix","Materials Horizons","2020","7","9","2399","2406","10.1039/D0MH00637H","","","0.71073","MoKα","","0.1333","0.092","","","0.2458","0.2923","","","","","","1.022","","","","has coordinates","258157","2020-10-21","18:00:00",""
"1558406","19.751","0.002","19.751","","57.616","0.007","90","","90","","120","","19465","3","200","","200","","","","","","","","","7","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C96 H108 Al13 Cl8.5 I8 Mo6 O120 -","- C96 H108 Al13 Cl8.5 I8 Mo6 O120 -","- C288 H324 Al39 Cl25.5 I24 Mo18 O360 -","3","0.25","","Falaise, Clément; Ivanov, Anton A.; Molard, Yann; Amela Cortes, Maria; Shestopalov, Michael A.; Haouas, Mohamed; Cadot, Emmanuel; Cordier, Stéphane","From supramolecular to solid state chemistry: crystal engineering of luminescent materials by trapping molecular clusters in an aluminium-based host matrix","Materials Horizons","2020","7","9","2399","2406","10.1039/D0MH00637H","","","0.71073","MoKα","","0.1638","0.1367","","","0.3625","0.4039","","","","","","1.738","","","","has coordinates","258157","2020-10-21","18:00:00",""
"1558407","15.8501","0.0017","32.821","0.004","17.405","0.002","90","","93.734","0.004","90","","9035.1","1.8","150","2","150.15","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C96 H112 Br8 Cl8 Mo6 Na5 O102.5 -","- C96 H112 Br8 Cl8 Mo6 Na5 O102.5 -","- C192 H224 Br16 Cl16 Mo12 Na10 O205 -","2","1","","Falaise, Clément; Ivanov, Anton A.; Molard, Yann; Amela Cortes, Maria; Shestopalov, Michael A.; Haouas, Mohamed; Cadot, Emmanuel; Cordier, Stéphane","From supramolecular to solid state chemistry: crystal engineering of luminescent materials by trapping molecular clusters in an aluminium-based host matrix","Materials Horizons","2020","7","9","2399","2406","10.1039/D0MH00637H","","","0.71073","MoKα","","0.0713","0.0593","","","0.1701","0.1817","","","","","","1.034","","","","has coordinates","258157","2020-10-21","18:00:00",""
"1558538","14.661","0.003","8.8474","0.001","7.6749","0.0009","90","","90","","90","","995.5","0.3","","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N-ACETYL-OCTACYCLOHEPTATHIOIMIDE, C2H3NOS7","","","- C2 H3 N O S7 -","- C2 H3 N O S7 -","- C8 H12 N4 O4 S28 -","4","1","","A. Vegas; M. Martinez-Ripoli; S. Garcia-Blanco","N-ACETYL-OCTACYCLOHEPTATHIOIMIDE, C2H3NOS7","Crystal Structure Communications","1978","7","","215","218","","","x-ray","1.5418","CuKα","","","0.096","","","0.116","","","","","","","","","","","has coordinates","254114","2020-10-21","18:00:00",""
"1558616","20.276","0.003","8.9776","0.0009","9.1929","0.001","90","","99.218","0.005","90","","1651.8","0.3","170","2","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C84 H76 N4 O16 -","4","1","","Ling, Xia; Huang, Letao; Li, Youzhen; Wan, Qing; Wang, Zhiming; Qin, Anjun; Gao, Meng; Tang, Ben Zhong","Photoactivatable dihydroalkaloids for cancer cell imaging and chemotherapy with high spatiotemporal resolution","Materials Horizons","2020","7","10","2696","2701","10.1039/D0MH00931H","","","0.71073","MoKα","","0.0649","0.0432","","","0.1044","0.1185","","","","","","1.05","","","","has coordinates","301780","2025-08-18","21:43:39",""
"1558617","13.288","0.006","8.182","0.003","17.804","0.007","90","","96.917","0.014","90","","1921.6","1.4","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl N O5 -","- C22 H22 Cl N O5 -","- C88 H88 Cl4 N4 O20 -","4","1","","Ling, Xia; Huang, Letao; Li, Youzhen; Wan, Qing; Wang, Zhiming; Qin, Anjun; Gao, Meng; Tang, Ben Zhong","Photoactivatable dihydroalkaloids for cancer cell imaging and chemotherapy with high spatiotemporal resolution","Materials Horizons","2020","7","10","2696","2701","10.1039/D0MH00931H","","","0.71073","MoKα","","0.0454","0.0357","","","0.092","0.0995","","","","","","1.037","","","","has coordinates","301780","2025-08-18","21:43:39",""
"1558618","9.3078","0.0003","10.2556","0.0003","17.487","0.0005","103.668","0.001","100.331","0.001","103.757","0.001","1525.61","0.08","170","2","170","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H15 N O4 -","- C20 H15 N O4 -","- C80 H60 N4 O16 -","4","2","","Ling, Xia; Huang, Letao; Li, Youzhen; Wan, Qing; Wang, Zhiming; Qin, Anjun; Gao, Meng; Tang, Ben Zhong","Photoactivatable dihydroalkaloids for cancer cell imaging and chemotherapy with high spatiotemporal resolution","Materials Horizons","2020","7","10","2696","2701","10.1039/D0MH00931H","","","0.71073","MoKα","","0.0537","0.0432","","","0.1151","0.1233","","","","","","1.032","","","","has coordinates","301780","2025-08-18","21:43:39",""
"1558853","9.3137","0.0011","19.52","0.002","13.6482","0.0016","90","","94.3","0.002","90","","2474.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","10-(4-([2,2':6',2''-terpyridin]-4'-yl) phenyl)-10H-phenoxazine","","- C33 H22 N4 O -","- C33 H22 N4 O -","- C132 H88 N16 O4 -","4","1","","Shi, Yizhong; Wang, Kai; Tsuchiya, Youichi; Liu, Wei; Komino, Takeshi; Fan, Xiaochun; Sun, Dianming; Dai, Gaole; Chen, Jiaxiong; Zhang, Ming; Zheng, Caijun; Xiong, Shiyun; Ou, Xuemei; Yu, Jia; Jie, Jiansheng; Lee, Chun-Sing; Adachi, Chihaya; Zhang, Xiaohong","Hydrogen bond-modulated molecular packing and its applications in high-performance non-doped organic electroluminescence","Materials Horizons","2020","7","10","2734","2740","10.1039/D0MH00952K","","","0.71073","MoKα","","0.1313","0.052","","","0.1078","0.1381","","","","","","0.981","","","","has coordinates","301780","2025-08-18","21:43:39",""
"1558854","9.449","0.003","10.758","0.003","13.327","0.004","96.653","0.006","98.071","0.006","112.124","0.006","1221.3","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","10-(4-([4,2':6',4''-terpyridin]-4'-yl) phenyl)-10H-phenoxazine","","- C33 H22 N4 O -","- C33 H22 N4 O -","- C66 H44 N8 O2 -","2","1","","Shi, Yizhong; Wang, Kai; Tsuchiya, Youichi; Liu, Wei; Komino, Takeshi; Fan, Xiaochun; Sun, Dianming; Dai, Gaole; Chen, Jiaxiong; Zhang, Ming; Zheng, Caijun; Xiong, Shiyun; Ou, Xuemei; Yu, Jia; Jie, Jiansheng; Lee, Chun-Sing; Adachi, Chihaya; Zhang, Xiaohong","Hydrogen bond-modulated molecular packing and its applications in high-performance non-doped organic electroluminescence","Materials Horizons","2020","7","10","2734","2740","10.1039/D0MH00952K","","","0.71073","MoKα","","0.167","0.06","","","0.1312","0.1638","","","","","","0.896","","","","has coordinates","301780","2025-08-18","21:43:39",""
"1558855","8.7779","0.0003","12.5445","0.0004","14.1754","0.0005","71.713","0.002","82.118","0.002","73.527","0.002","1419.26","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","10-(4-([3,2':6',3''-terpyridin]-4'-yl) phenyl)-10H-phenoxazine","","- C37 H30 N4 O2 -","- C37 H30 N4 O2 -","- C74 H60 N8 O4 -","2","1","","Shi, Yizhong; Wang, Kai; Tsuchiya, Youichi; Liu, Wei; Komino, Takeshi; Fan, Xiaochun; Sun, Dianming; Dai, Gaole; Chen, Jiaxiong; Zhang, Ming; Zheng, Caijun; Xiong, Shiyun; Ou, Xuemei; Yu, Jia; Jie, Jiansheng; Lee, Chun-Sing; Adachi, Chihaya; Zhang, Xiaohong","Hydrogen bond-modulated molecular packing and its applications in high-performance non-doped organic electroluminescence","Materials Horizons","2020","7","10","2734","2740","10.1039/D0MH00952K","","","0.71073","MoKα","","0.099","0.0732","","","0.1943","0.2134","","","","","","1.034","","","","has coordinates","301780","2025-08-18","21:43:39",""
"1558890","18.2166","0.0007","18.5973","0.001","7.8095","0.0002","90","","97.881","0.002","90","","2620.71","0.19","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H29 N3 O4 -","- C34 H29 N3 O4 -","- C136 H116 N12 O16 -","4","1","","Harding, Cayley R.; Cann, Jonathan; Laventure, Audrey; Sadeghianlemraski, Mozhgan; Abd-Ellah, Marwa; Rao, Keerthan R.; Gelfand, Benjamin Sidney; Aziz, Hany; Kaake, Loren; Risko, Chad; Welch, Gregory C.","Acid dyeing for green solvent processing of solvent resistant semiconducting organic thin films","Materials Horizons","2020","7","11","2959","2969","10.1039/D0MH00785D","","","1.54178","CuKα","","0.0639","0.0581","","","0.1587","0.1639","","","","","","1.026","","","","has coordinates","301780","2025-08-18","21:43:39",""
"1558913","7.7182","0.0004","9.1941","0.0006","9.1951","0.0006","66.644","0.006","73.063","0.005","84.331","0.005","572.95","0.07","290","2","290","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H12 Br4 O3 -","- C28 H12 Br4 O3 -","- C28 H12 Br4 O3 -","1","0.5","","Macdonald, Joshua W. R.; Piana, Giacomo; Comin, Massimiliano; von Hauff, Elizabeth; Kociok-Köhn, Gabriele; Bowen, Chris; Lagoudakis, Pavlos; D'Avino, Gabriele; Da Como, Enrico","Charge transfer excitons in a donor‒acceptor amphidynamic crystal: the role of dipole orientational order","Materials Horizons","2020","7","11","2951","2958","10.1039/D0MH01044H","","x-ray","1.54184","CuKα","","0.0633","0.059","","","0.1757","0.1834","","","","","","1.067","","","","has coordinates","258997","2020-11-06","13:25:00",""
"1558914","9.9529","0.0005","10.0251","0.0004","12.5133","0.0006","85.623","0.004","73.77","0.004","68.865","0.004","1117.75","0.1","150","2","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H12 Br4 O3 -","- C28 H12 Br4 O3 -","- C56 H24 Br8 O6 -","2","1","","Macdonald, Joshua W. R.; Piana, Giacomo; Comin, Massimiliano; von Hauff, Elizabeth; Kociok-Köhn, Gabriele; Bowen, Chris; Lagoudakis, Pavlos; D'Avino, Gabriele; Da Como, Enrico","Charge transfer excitons in a donor–acceptor amphidynamic crystal: the role of dipole orientational order","Materials Horizons","2020","7","11","2951","2958","10.1039/D0MH01044H","","x-ray","1.54184","CuKα","","0.0427","0.0411","","","0.1081","0.1104","","","","","","1.056","","","","has coordinates","301780","2025-08-18","21:43:39",""
"1558982","17.7648","0.0007","18.0515","0.0005","22.0097","0.0007","77.093","0.002","66.749","0.003","62.317","0.003","5735.6","0.4","119.99","0.13","119.99","0.13","","","","","","","","7","P -1","-P 1","2","","","","- C256.5 H230 B8 Cl3 F32 N8 O10 -","- C256.5 H230 B8 Cl3 F32 N8 O10 -","- C256.5 H230 B8 Cl3 F32 N8 O10 -","1","0.5","","Chen, Kongqi; Zhang, Rongyuan; Li, Ganggang; Li, Baoxi; Ma, Yao; Sun, Ming; Wang, Zhiming; Tang, Ben Zhong","Photo-induced crystallization with emission enhancement (PICEE)","Materials Horizons","2020","7","11","3005","3010","10.1039/D0MH01200A","","x-ray","1.54184","CuKα","","0.1507","0.1298","","","0.385","0.4156","","","","","","1.026","","","","has coordinates,has disorder","258995","2020-11-06","13:24:36",""
"1559218","27.0597","0.0016","27.0597","0.0016","8.5587","0.0006","90","","90","","120","","5427.3","0.6","293","2","293","2","","","","","","","","5","P 3","P 3","143","kaliophilite","","","- Al27 K24.67 Na2.33 O108 Si27 -","- Al27 K24.6685 Na2.3315 O108 Si27 -","- Al54 K49.337 Na4.663 O216 Si54 -","2","0.666667","","Mugnaioli, Enrico; Bonaccorsi, Elena; Lanza, Arianna E.; Elkaim, Erik; Diez-Gómez, Virginia; Sobrados, Isabel; Gemmi, Mauro; Gregorkiewitz, Miguel","The structure of kaliophilite KAlSiO~4~, a long-lasting crystallographic problem","IUCrJ","2020","7","6","","","10.1107/S2052252520012270","","","0.71073","MoKα","","0.0898","0.0768","","","0.1733","0.1822","","","","","","1.021","","","","has coordinates","256824","2020-10-21","18:00:00",""
"1559342","4.9504","0.0007","18.053","0.002","19.902","0.003","90","","92.566","0.003","90","","1776.8","0.4","295.68","","295.68","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 N2 -","- C25 H18 N2 -","- C100 H72 N8 -","4","1","","Jiang, He; Tao, Ye; Jin, Jibiao; Dai, Yizhong; Xian, Lijie; Wang, Jun; Wang, Shuang; Chen, Runfeng; Zheng, Chao; Huang, Wei","Resonance-driven dynamically bipolar organic semiconductors for high-performance optoelectronic applications","Materials Horizons","2020","7","12","3298","3304","10.1039/D0MH01252A","","","0.71073","MoKα","","0.068","0.0518","","","0.1166","0.1296","","","","","","1.096","","","","has coordinates","301780","2025-08-18","21:43:40",""
"1559343","16.125","0.012","5.437","0.004","22.259","0.017","90","","110.185","0.015","90","","1832","2","299","2","298.95","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 N2 O -","- C25 H16 N2 O -","- C100 H64 N8 O4 -","4","1","","Jiang, He; Tao, Ye; Jin, Jibiao; Dai, Yizhong; Xian, Lijie; Wang, Jun; Wang, Shuang; Chen, Runfeng; Zheng, Chao; Huang, Wei","Resonance-driven dynamically bipolar organic semiconductors for high-performance optoelectronic applications","Materials Horizons","2020","7","12","3298","3304","10.1039/D0MH01252A","","","0.71073","MoKα","","0.1459","0.0903","","","0.2255","0.2675","","","","","","1.05","","","","has coordinates","301780","2025-08-18","21:43:40",""
"1559398","7.7819","0.0004","10.0468","0.0005","23.6401","0.0013","90","","90","","90","","1848.26","0.17","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C84 H112 O20 -","4","1","","Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo","Cortisone and cortisol break hydrogen-bonding rules to make a drug–prodrug solid solution","IUCrJ","2020","7","6","","","10.1107/S2052252520013263","","","0.71073","MoKα","","0.0793","0.0504","","","0.1136","0.1268","","","","","","1.029","","","","has coordinates","301780","2025-08-18","21:43:40",""
"1559399","7.7442","0.0006","10.0968","0.0008","23.675","0.0019","90","","90","","90","","1851.2","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28.74 O5 -","- C21 H28.74 O5 -","- C84 H114.96 O20 -","4","1","","Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo","Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution","IUCrJ","2020","7","6","","","10.1107/S2052252520013263","","","0.71073","MoKα","","0.1886","0.0747","","","0.123","0.1611","","","","","","0.981","","","","has coordinates","258575","2020-10-23","04:59:56",""
"1559400","7.7308","0.0007","10.1237","0.0009","23.694","0.002","90","","90","","90","","1854.4","0.3","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29.27 O5 -","- C21 H29.26 O5 -","- C84 H117.04 O20 -","4","1","","Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo","Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution","IUCrJ","2020","7","6","","","10.1107/S2052252520013263","","","0.71073","MoKα","","0.2847","0.0715","","","0.1271","0.1907","","","","","","0.967","","","","has coordinates","258575","2020-10-23","04:59:57",""
"1559401","7.6953","0.0009","10.1268","0.0011","23.619","0.003","90","","90","","90","","1840.6","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29.48 O5 -","- C21 H29.48 O5 -","- C84 H117.92 O20 -","4","1","","Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo","Cortisone and cortisol break hydrogen-bonding rules to make a drug‒prodrug solid solution","IUCrJ","2020","7","6","","","10.1107/S2052252520013263","","","0.71073","MoKα","","0.118","0.1038","","","0.3033","0.315","","","","","","1.048","","","","has coordinates","258575","2020-10-23","04:59:57",""
"1559402","10.1439","0.0014","12.4255","0.0016","30.496","0.005","90","","90","","90","","3843.8","1","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O5 -","- C21 H30 O5 -","- C168 H240 O40 -","8","2","","Verma, Vivek; Bordignon, Simone; Chierotti, Michele R.; Lestari, Monica; Lyons, Kieran; Padrela, Luis; Ryan, Kevin M.; Lusi, Matteo","Cortisone and cortisol break hydrogen-bonding rules to make a drug–prodrug solid solution","IUCrJ","2020","7","6","","","10.1107/S2052252520013263","","","1.54178","CuKα","","0.4719","0.098","","","0.2175","0.3915","","","","","","0.828","","","","has coordinates","301780","2025-08-18","21:43:40",""
"1559421","14.7759","0.0003","14.7759","0.0003","29.8577","0.0007","90","","90","","90","","6518.7","0.2","100","","100","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0411","0.038","","","0.0478","0.0484","","","","2.8","2.8","2.69","","","","has coordinates","258644","2020-10-30","05:35:28",""
"1559422","14.7908","0.0003","14.7908","0.0003","29.8489","0.0007","90","","90","","90","","6530","0.2","119.97","0.19","120","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0417","0.0387","","","0.0939","0.0953","","","","2.59","2.59","2.5","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559423","14.8076","0.0003","14.8076","0.0003","29.8449","0.0008","90","","90","","90","","6543.9","0.3","140","","140","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0416","0.0386","","","0.0925","0.0946","","","","2.49","2.49","2.42","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559424","14.8239","0.0004","14.8239","0.0004","29.8395","0.0008","90","","90","","90","","6557.2","0.3","160.01","0.1","160","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.042","0.0385","","","0.0928","0.0946","","","","2.46","2.46","2.38","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559425","14.8206","0.0007","14.8206","0.0007","29.8617","0.0014","90","","90","","90","","6559.1","0.5","160","","160","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N2.995 Ni O2.99 -","- C320 H240 N47.92 Ni16 O47.84 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.058","0.0499","","","0.1137","0.1176","","","","2.58","2.58","2.43","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559426","14.8394","0.0003","14.8394","0.0003","29.832","0.0008","90","","90","","90","","6569.2","0.3","180","","180","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0438","0.0399","","","0.0957","0.0983","","","","2.45","2.45","2.36","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559427","14.8477","0.0003","14.8477","0.0003","29.8554","0.0005","90","","90","","90","","6581.7","0.2","180","","180","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0421","0.0374","","","0.0912","0.0937","","","","2.2","2.2","2.11","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559428","14.8584","0.0003","14.8584","0.0003","29.828","0.0008","90","","90","","90","","6585.2","0.3","200","","200","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N2.999 Ni O2.998 -","- C320 H240 N47.984 Ni16 O47.968 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0424","0.0389","","","0.0943","0.0965","","","","2.47","2.47","2.39","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559429","14.8663","0.0003","14.8663","0.0003","29.841","0.0005","90","","90","","90","","6595.1","0.2","200","","200","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0453","0.0415","","","0.1","0.102","","","","2.56","2.56","2.46","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559430","14.8778","0.0003","14.8778","0.0003","29.8291","0.0006","90","","90","","90","","6602.6","0.2","220","","220","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0395","0.0369","","","0.0906","0.0919","","","","2.5","2.5","2.42","","","","has coordinates","258644","2020-10-30","05:35:30",""
"1559431","14.893","0.0006","14.893","0.0006","29.829","0.0013","90","","90","","90","","6616.1","0.5","240","","240","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0992","0.0934","","","0.2251","0.2272","","","","4.76","4.76","4.4","","","","has coordinates","301780","2025-08-18","21:43:40",""
"1559432","14.8976","0.0003","14.8976","0.0003","29.8244","0.0006","90","","90","","90","","6619.2","0.2","240","","240","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H15 N3 Ni O3 -","- C20 H15 N3 Ni O3 -","- C320 H240 N48 Ni16 O48 -","16","1","","Kutniewska, Sylwia E.; Krówczyński, Adam; Kamiński, Radosław; Jarzembska, Katarzyna N.; Pillet, Sébastien; Wenger, Emmanuel; Schaniel, Dominik","Photocrystallographic and spectroscopic studies of a model (N,N,O)-donor square-planar nickel(II) nitro complex: in search of high-conversion and stable photoswitchable materials","IUCrJ","2020","7","6","","","10.1107/S205225252001307X","","x-ray","1.54184","CuKα","","0.0402","0.0375","","","0.0464","0.0472","","","","2.48","2.48","2.39","","","","has coordinates","301780","2025-08-18","21:43:40",""
"1563176","9.9554","0.0005","9.3037","0.0004","25.2695","0.0012","90","","94.67","0.003","90","","2332.74","0.19","98","2","98","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6.67 Cu N2 O4.33 -","- C6 H6.66667 Cu N2 O4.33333 -","- C72 H80 Cu12 N24 O52 -","12","3","","Marino, Nadia; Calatayud, María Luisa; Orts-Arroyo, Marta; Pascual-Álvarez, Alejandro; Moliner, Nicolás; Julve, Miguel; Lloret, Francesc; De Munno, Giovanni; Ruiz-García, Rafael; Castro, Isabel","Magnetic Switching in Vapochromic Oxalato-Bridged 2D Copper(II)-Pyrazole Compounds for Biogenic Amine Sensing","Magnetochemistry","2021","7","5","65","","10.3390/magnetochemistry7050065","","","1.54178","CuKα","","0.069","0.0497","","","0.1309","0.1422","","","","","","1.079","","","","has coordinates","266197","2021-06-06","04:56:31",""
"1565983","7.6135","0.0003","23.9582","0.0011","12.4828","0.0006","90","","90","","90","","2276.93","0.18","296","2","296","2","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Al61.49 Mn11.35 Ni4 -","- Al61.486 Mn11.354 Ni4 -","- Al122.972 Mn22.708 Ni8 -","2","0.125","WM4158","Hu, Qifa; Wen, Bin; Fan, Changzeng","The Al~61.49~Mn~11.35~Ni~4~ phase in the Al–Mn–Ni system","IUCrData","2022","7","1","x220038","","10.1107/S2414314622000384","","","0.71073","MoKα","","0.0556","0.039","","","0.0876","0.0945","","","","","","1.062","","","","has coordinates,has disorder,has Fobs","272821","2022-02-06","04:45:35",""
"1565984","16.53","0.1","12.81","0.05","13.46","0.07","90","","90","","90","","2850","3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","[Sulfonylbis(bromomethylene)]dibenzene","","- C14 H12 Br2 O2 S -","- C14 H12 Br2 O2 S -","- C112 H96 Br16 O16 S8 -","8","1","WM4157","Corfield, Peter W. R.","[Sulfonylbis(bromomethylene)]dibenzene","IUCrData","2022","7","1","x211351","","10.1107/S2414314621013511","","","0.7107","MoKα","","0.0632","0.046","","","0.099","0.1054","","","","","","1.104","","","","has coordinates,has Fobs","272058","2022-01-15","02:54:41",""
"1565985","6.3657","0.0005","8.1428","0.0007","12.1896","0.0011","72.595","0.002","89.376","0.002","87.805","0.002","602.47","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Bis(dimethylamine-κ<i>N</i>)bis[4-(1,2,4-triazol-1-yl)benzoato-κ<i>O</i>]copper(II)","","- C22 H26 Cu N8 O4 -","- C22 H26 Cu N8 O4 -","- C22 H26 Cu N8 O4 -","1","0.5","WM4159","Liu, Lin; Han, Zheng-Bo","Bis(dimethylamine-κ<i>N</i>)bis[4-(1,2,4-triazol-1-yl)benzoato-κ<i>O</i>]copper(II)","IUCrData","2022","7","1","x220046","","10.1107/S2414314622000463","","","0.71073","MoKα","","0.0475","0.0377","","","0.0874","0.0926","","","","","","1.03","","","","has coordinates,has Fobs","272059","2022-01-15","02:55:00",""
"1566189","4.785","0.004","13.523","0.011","13.254","0.011","90","","93.94","0.009","90","","855.6","1.2","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","lactosamine","β-<i>D</i>-Galactopyranosyl-(1→4)–2-amino-2-deoxy-α-<i>D</i>-glucopyranose hydrochloride monohydrate","","- C12 H26 Cl N O11 -","- C12 H26 Cl N O11 -","- C24 H52 Cl2 N2 O22 -","2","1","GG4007","Mossine, Valeri V.; Kelley, Steven P.; Mawhinney, Thomas P.","β-<small>D</small>-Galactopyranosyl-(1→ 4)–2-amino-2-deoxy-α-<small>D</small>-glucopyranose hydrochloride monohydrate (lactosamine)","IUCrData","2022","7","1","x220061","","10.1107/S241431462200061X","","","0.71073","MoKα","","0.1519","0.0658","","","0.1067","0.1312","","","","","","1.01","","","","has coordinates,has Fobs","272347","2022-01-29","03:14:28",""
"1566249","13.386","0.003","6.0085","0.0007","17.843","0.003","90","","108.657","0.015","90","","1359.7","0.4","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Poly[dipotassium [(μ~6~-2,2',2'',2'''-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetraacetato)disilver(I)] 5.2-hydrate]","","- C16 H26.4 Ag2 K2 N2 O13.2 S4 -","- C16 H16 Ag2 K2 N2 O13.2 S4 -","- C32 H32 Ag4 K4 N4 O26.4 S8 -","2","0.5","","Pacifico, Jessica; Stoeckli-Evans, Helen","Poly[dipotassium [(μ6-2,2′,2′′,2′′′-{[pyrazine-2,3,5,6-tetrayltetrakis(methylene)]tetrakis(sulfanediyl)}tetraacetato)disilver(I)] 5.2-hydrate]","IUCrData","2022","7","2","x220077","","10.1107/S2414314622000773","","","0.71073","MoKα","","0.0539","0.0482","","","0.1106","0.1135","","","","","","1.165","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:55",""
"1566307","9.915","0.0002","7.2523","0.0002","11.9573","0.0003","90","","98.558","0.002","90","","850.23","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Hydroxybenzenaminium acetate","","- C8 H11 N O3 -","- C8 H11 N O3 -","- C32 H44 N4 O12 -","4","1","VM4050","Moussa Slimane, Nabila; Benarous, Nesrine; Bougueria, Hassiba; Cherouana, Aouatef","2-Hydroxybenzenaminium acetate","IUCrData","2022","7","2","x220112","","10.1107/S2414314622001122","","","0.71073","MoKα","","0.0431","0.0375","","","0.1029","0.1087","","","","","","1.046","","","","has coordinates,has Fobs","272553","2022-02-04","03:35:26",""
"1566374","9.5487","0.0004","11.4141","0.0004","15.0254","0.0006","107.486","0.002","94.791","0.002","111.423","0.002","1419.16","0.1","170","2","170","2","","","","","","","","5","P -1","-P 1","2","Bis[1,2-bis(4-chlorophenyl)ethylene-1,2-dithiolato(1-)]nickel(II)","Bis[1,2-bis(4-chlorophenyl)-2-sulfanylideneethane-1-thiolato]nickel(II)","","- C28 H16 Cl4 Ni S4 -","- C28 H16 Cl4 Ni S4 -","- C56 H32 Cl8 Ni2 S8 -","2","1","GG4008","Koehne, Sydney; Mirmelli, Bailey; Mague, Joel T.; Donahue, James P.","Bis[1,2-bis(4-chlorophenyl)ethylene-1,2-dithiolato(1–)]nickel(II)","IUCrData","2022","7","2","x220148","","10.1107/S2414314622001481","","","0.71073","MoKα","","0.0625","0.0404","","","0.0976","0.112","","","","","","1.026","","","","has coordinates,has Fobs","273019","2022-02-18","03:22:37",""
"1566375","36.615","0.0018","8.0709","0.0003","36.282","0.003","90","","90.863","0.005","90","","10720.7","1.1","120","2","120","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","13,13'-Bi(dibenzo[<i>b</i>,<i>i</i>]fluorenylidene)","","- C42 H24 -","- C42 H24 -","- C672 H384 -","16","2","BT4120","Schollmeyer, Dieter; Detert, Heiner","13,13'-Bi(dibenzo[<i>a</i>,<i>i</i>]fluorenylidene)","IUCrData","2022","7","2","x220169","","10.1107/S2414314622001699","","","0.71073","MoKα","","0.1459","0.0723","","","0.182","0.2281","","","","","","1.033","","","","has coordinates,has Fobs","273020","2022-02-18","03:23:15",""
"1566403","12.1115","0.0002","10.6282","0.0002","17.4772","0.0003","90","","127.723","0.001","90","","1779.48","0.06","293","","293","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","Bis(2-aminobenzimidazolium) sulfate monohydrate","","- C14 H18 N6 O5 S -","- C14 H18 N6 O5 S -","- C56 H72 N24 O20 S4 -","4","1","HB4397","Peña Hueso, Adrian; Esparza Ruiz, Adriana; Flores Parra, Angelina","Bis(2-aminobenzimidazolium) sulfate monohydrate","IUCrData","2022","7","2","x220172","","10.1107/S2414314622001729","","x-ray","0.71073","MoKα","","0.0922","0.0408","","0.1178","0.0496","0.0496","","","","","","1.0344","","","","has coordinates,has Fobs","273128","2022-02-23","03:24:08",""
"1566424","9.7089","0.0008","14.351","0.0012","14.2749","0.0015","90","","106.946","0.01","90","","1902.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 10-cyano-7-hydroxy-6-oxo-3-phenyl-8,9,10,10a-tetrahydro-6<i>H</i>-benzo[<i>c</i>]chromene-10-carboxylate","","- C23 H19 N O5 -","- C23 H19 N O5 -","- C92 H76 N4 O20 -","4","1","HB4401","Surya Prakash Rao, H.; M, Prabakaran; Muthukumaran, Jayaraman","Ethyl 10-cyano-7-hydroxy-6-oxo-3-phenyl-8,9,10,10a-tetrahydro-6<i>H</i>-benzo[<i>c</i>]chromene-10-carboxylate","IUCrData","2022","7","2","x220199","","10.1107/S2414314622001997","","","0.71073","MoKα","","0.0729","0.046","","","0.133","0.1567","","","","","","0.952","","","","has coordinates,has Fobs","273176","2022-02-26","03:16:08",""
"1566425","11.5857","0.0006","7.0616","0.0004","16.6118","0.0009","90","","108.222","0.002","90","","1290.92","0.12","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-Phenyl-3-(2-phosphonoethyl)-1,2,3-triazol-1-ium chloride","","- C10 H13 Cl N3 O3 P -","- C10 H13 Cl N3 O3 P -","- C40 H52 Cl4 N12 O12 P4 -","4","1","TX4001","Chachlaki, Elpiniki; Choquesillo-Lazarte, Duane; Demadis, Konstantinos D.","5-Phenyl-3-(2-phosphonoethyl)-1,2,3-triazol-1-ium chloride","IUCrData","2022","7","2","x220189","","10.1107/S2414314622001894","","","1.54178","CuKα","","0.045","0.0424","","","0.1252","0.1291","","","","","","1.109","","","","has coordinates,has Fobs","273177","2022-02-26","03:16:32",""
"1566560","7.4224","0.0013","7.4518","0.0011","8.4986","0.0016","105.726","0.007","97.426","0.009","112.383","0.007","403.85","0.13","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","4-Amidinopyridinium hexachloridostannate(IV) dihydrate","4-[Amino(iminiumyl)methyl]pyridin-1-ium hexachloridostannate(IV) dihydrate","","- C6 H13 Cl6 N3 O2 Sn -","- C6 H13 Cl6 N3 O2 Sn -","- C6 H13 Cl6 N3 O2 Sn -","1","0.5","HB4399","Ghallab, Rochdi; Bougueria, Hassiba; Merazig, Hocine","4-Amidinopyridinium hexachloridostannate(IV) dihydrate","IUCrData","2022","7","3","x220195","","10.1107/S241431462200195X","","","0.71073","MoKα","","0.0753","0.0458","","","0.0779","0.0852","","","","","","1.149","","","","has coordinates,has disorder,has Fobs","273320","2022-03-04","03:16:04",""
"1566561","7.4624","0.0002","8.4715","0.0002","10.1324","0.0002","101.434","0.001","90.043","0.001","107.554","0.001","597.34","0.02","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","Bis(2-amino-3,5-dichloropyridinium) hexachloridostannate(IV) dihydrate","","- C10 H14 Cl10 N4 O2 Sn -","- C10 H14 Cl10 N4 O2 Sn -","- C10 H14 Cl10 N4 O2 Sn -","1","0.5","BH4066","Ghallab, Rochdi; Bougueria, Hassiba; Merazig, Hocine","Bis(2-amino-3,5-dichloropyridinium) hexachloridostannate(IV) dihydrate","IUCrData","2022","7","3","x220191","","10.1107/S2414314622001912","","","0.71073","MoKα","","0.029","0.0252","","","0.054","0.0566","","","","","","1.021","","","","has coordinates,has Fobs","300370","2025-07-05","10:12:55",""
"1566594","10.816","0.002","7.0106","0.0015","13.169","0.003","90","","106.833","0.004","90","","955.8","0.3","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","1-(Methyl-α-<i>D</i>-glucopyranosid-6-yl)-3-vinylimidazolium iodide dimethylformamide monosolvate","3-Ethenyl-1-(methyl-α-<i>D</i>-glucopyranosid-6-yl)imidazolium iodide dimethylformamide monosolvate","","- C15 H26 I N3 O6 -","- C15 H26 I N3 O6 -","- C30 H52 I2 N6 O12 -","2","1","VM4051","Lambrecht, Sina; Villinger, Alexander; Jopp, Stefan","1-(Methyl-α-<small>D</small>-glucopyranosid-6-yl)-3-vinylimidazolium iodide dimethylformamide monosolvate","IUCrData","2022","7","3","x220265","","10.1107/S2414314622002656","","","0.71073","MoKα","","0.0322","0.0283","","","0.0588","0.0603","","","","","","1.032","","","","has coordinates,has Fobs","273642","2022-03-11","03:34:45",""
"1566595","19.5585","0.0008","24.7224","0.001","29.8538","0.001","90","","90","","90","","14435.3","1","99.98","","99.98","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","(Cryptand-222)potassium (4-methylbenzenethiolato)[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato]manganate(II) tetrahydrofuran disolvate","","- C77 H83 Cl4 K Mn N6 O8 S -","- C77 H83 Cl4 K Mn N6 O8 S -","- C616 H664 Cl32 K8 Mn8 N48 O64 S8 -","8","1","BT4121","Yuan, Yiwen; Li, Jianfeng","([2.2.2]Cryptand)potassium (4-methylbenzenethiolato)[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato]manganate(II) tetrahydrofuran disolvate","IUCrData","2022","7","3","x220241","","10.1107/S2414314622002413","","","0.71073","MoKα","","0.0899","0.049","","","0.0987","0.1153","","","","","","1.026","","","","has coordinates,has disorder,has Fobs","273643","2022-03-11","03:35:28",""
"1566596","11.426","0.0005","9.0735","0.0003","15.5434","0.0005","90","","102.118","0.004","90","","1575.54","0.1","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-(2-Methylphenyl)-4,4'-bipyridin-1-ium tetrafluoridoborate","","- C17 H15 B F4 N2 -","- C17 H15 B F4 N2 -","- C68 H60 B4 F16 N8 -","4","1","BH4067","Welton, Claire E.; Nesterov, Vladimir N.; Smucker, Bradley W.","1-(2-Methylphenyl)-4,4'-bipyridin-1-ium tetrafluoridoborate","IUCrData","2022","7","3","x220248","","10.1107/S2414314622002486","","x-ray","1.54184","CuKα","","0.1179","0.1081","","","0.366","0.3782","","","","","","1.634","","","","has coordinates,has disorder,has Fobs","273644","2022-03-11","03:35:58",""
"1566718","30.3989","0.0015","8.7177","0.0005","14.0581","0.0007","90","","115.367","0.002","90","","3366.3","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-5-(4-Methylbenzylidene)-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-indazol-4-one","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C168 H144 N16 O8 -","8","1","TK4075","Meenatchi, C. Selva; Athimoolam, S.; Suresh, J.; Priya, R. Vishnu; Rubina, S. Raja; Bhandari, S. R.","(<i>E</i>)-5-(4-Methylbenzylidene)-1-phenyl-4,5,6,7-tetrahydro-1<i>H</i>-indazol-4-one","IUCrData","2022","7","3","x220283","","10.1107/S2414314622002838","","","0.71073","MoKα","","0.0509","0.0435","","","0.1148","0.1258","","","","","","1.065","","","","has coordinates,has Fobs","274096","2022-03-30","02:02:57",""
"1566728","7.1533","0.0016","11.936","0.003","9.004","0.002","90","","98.128","0.005","90","","761.1","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-Chloro-5-(dimethylamino)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3(2<i>H</i>)-one","","- C15 H14 Cl N5 O2 -","- C15 H14 Cl N5 O2 -","- C30 H28 Cl2 N10 O4 -","2","1","VM4052","Song, Jingjing; Jiang, Xinyu; Wang, Ziyi; Pei, Jingyao; Li, Hongsen","4-Chloro-5-(dimethylamino)-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridazin-3(2<i>H</i>)-one","IUCrData","2022","7","3","x220342","","10.1107/S241431462200342X","","","0.71073","MoKα","","0.0451","0.0418","","","0.0973","0.0998","","","","","","1.037","","","","has coordinates,has Fobs","274192","2022-04-01","02:24:28",""
"1566729","4.60717","0.00011","20.7275","0.0005","12.6444","0.0003","90","","91.911","0.002","90","","1206.81","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-(Benzo[<i>d</i>]thiazol-2-yl)-2<i>H</i>-chromen-2-one","","- C16 H9 N O2 S -","- C16 H9 N O2 S -","- C64 H36 N4 O8 S4 -","4","1","XI4003","Abdallah, Amira E. M.; Elgemeie, Galal H.; Jones, Peter G.","3-(Benzo[<i>d</i>]thiazol-2-yl)-2<i>H</i>-chromen-2-one","IUCrData","2022","7","3","x220332","","10.1107/S2414314622003327","","","1.54184","CuKα","","0.0497","0.0491","","","0.1194","0.1197","","","","","","1.248","","","","has coordinates,has Fobs","274193","2022-04-01","02:25:33",""
"1566768","6.0921","0.0003","8.5778","0.0005","18.726","0.0011","94.922","0.002","90.428","0.002","98.945","0.002","962.88","0.09","297","2","297.15","","","","","","","","","4","P -1","-P 1","2","Bis(oxotremorine) fumarate bis(fumaric acid)","1-[4-(2-Oxopyrrolidin-1-yl)but-2-ynyl]pyrrolidinium (2<i>E</i>)-but-2-enedioate bis[(2<i>E</i>)-but-2-enedioic acid]","","- C36 H48 N4 O14 -","- C36 H48 N4 O14 -","- C36 H48 N4 O14 -","1","0.5","ZL4049","Naeem, Marilyn; Chadeayne, Andrew R.; Golen, James A.; Manke, David R.","Bis(oxotremorine) fumarate bis(fumaric acid)","IUCrData","2022","7","4","x220364","","10.1107/S2414314622003649","","","0.71073","MoKα","","0.0545","0.0421","","","0.1011","0.1089","","","","","","1.033","","","","has coordinates,has disorder,has Fobs","300370","2025-07-05","10:12:55",""
"1566790","9.1574","0.0005","12.0339","0.0006","14.0667","0.0007","91.989","0.001","96.924","0.001","102.996","0.001","1496.35","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","5-{[4-(Dimethylamino)phenyl]ethynyl}pyrimidine bis(1,2,3,5-tetrafluoro-4,6-diiodobenzene)","","- C26 H13 F8 I4 N3 -","- C26 H13 F8 I4 N3 -","- C52 H26 F16 I8 N6 -","2","1","HB4404","Bosch, Eric; Bowling, Nathan P.","5-{[4-(Dimethylamino)phenyl]ethynyl}pyrimidine–1,2,3,5-tetrafluoro-4,6-diiodobenzene (1/2)","IUCrData","2022","7","4","x220380","","10.1107/S2414314622003807","","","0.71073","MoKα","","0.0229","0.0202","","","0.0452","0.0463","","","","","","1.09","","","","has coordinates,has Fobs","274506","2022-04-13","02:14:29",""
"1566848","12.6886","0.0007","9.2655","0.0006","11.6024","0.0007","90","","105.374","0.002","90","","1315.24","0.14","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(Phenylsulfonyl)-1<i>H</i>-indole-2-carbaldehyde","","- C15 H11 N O3 S -","- C15 H11 N O3 S -","- C60 H44 N4 O12 S4 -","4","1","HB4405","Pineda, Leslie W.; Ferllini, Natasha; Cabezas, Jorge A.","1-(Phenylsulfonyl)-1<i>H</i>-indole-2-carbaldehyde","IUCrData","2022","7","4","x220401","","10.1107/S2414314622004011","","","0.71073","MoKα","","0.1055","0.0479","","","0.0975","0.1136","","","","","","1.01","","","","has coordinates,has Fobs","274655","2022-04-23","01:57:51",""
"1566849","20.1021","0.001","21.5505","0.0009","17.9807","0.0009","90","","90","","90","","7789.4","0.6","100.08","","100.08","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","Nitrato(5,10,15,20-tetraphenylporphinato)manganese(III)–benzene–<i>n</i>-hexane (2/1/1)","","- C50 H38 Mn N5 O3 -","- C50 H38 Mn N5 O3 -","- C400 H304 Mn8 N40 O24 -","8","1","WM4162","Cao, Hongli; Wang, Junwen; Li, Jianfeng","Nitrato(5,10,15,20-tetraphenylporphinato)manganese(III)–benzene–<i>n</i>-hexane (2/1/1)","IUCrData","2022","7","4","x220386","","10.1107/S2414314622003868","","","0.71073","MoKα","","0.0752","0.0495","","","0.1278","0.148","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","274656","2022-04-23","01:58:28",""
"1566903","16.99261","0.00018","6.02635","0.00007","17.4076","0.0002","90","","107.831","0.0012","90","","1696.97","0.03","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","4-Amino-5-(4-bromobenzoyl)-3-(benzo[<i>d</i>]thiazol-2-yl)-2-[(2',3',4',6'-tetra-<i>O</i>-acetyl-β-<i>D</i>-galactopyranosyl)sulfanyl]thiophene","","- C32 H29 Br N2 O10 S3 -","- C32 H29 Br N2 O10 S3 -","- C64 H58 Br2 N4 O20 S6 -","2","1","MW2186","Azzam, Rasha A.; Elgemeie, Galal H.; Gad, Nagwa M.; Jones, Peter G.","4-Amino-5-(4-bromobenzoyl)-3-(benzo[<i>d</i>]thiazol-2-yl)-2-[(2',3',4',6'-tetra-<i>O</i>-acetyl-β-<small>D</small>-galactopyranosyl)sulfanyl]thiophene","IUCrData","2022","7","4","x220412","","10.1107/S2414314622004126","","x-ray","1.54184","CuKα","","0.0234","0.0232","","","0.0616","0.0618","","","","","","1.039","","","","has coordinates,has Fobs","274834","2022-05-03","02:39:25",""
"1566904","19.1257","0.001","9.3864","0.0005","10.0502","0.0006","90","","103.546","0.006","90","","1754.04","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Hydroxyethylammonium [2-(2,6-dichloroanilino)phenyl]acetate monohydrate","","- C16 H20 Cl2 N2 O4 -","- C16 H20 Cl2 N2 O4 -","- C64 H80 Cl8 N8 O16 -","4","1","BH4068","Obidova, Nodira; Ashurov, Jamshid; Izotova, Lidiya; Ibragimov, Bakhtiyar","2-Hydroxyethylammonium [2-(2,6-dichloroanilino)phenyl]acetate monohydrate","IUCrData","2022","7","4","x220441","","10.1107/S2414314622004412","","","1.54184","CuKα","","0.0869","0.0505","","","0.1146","0.1344","","","","","","1.013","","","","has coordinates,has Fobs","274835","2022-05-03","02:39:53",""
"1567009","18.0776","0.0002","48.2301","0.0005","4.5424","0.0002","90","","90","","90","","3960.45","0.18","219.9","0.4","219.9","0.4","","","","","","","","4","F d d 2","F 2 -2d","43","","1,1'-Methylenebis(4,4'-bipyridin-1-ium) dibromide","","- C21 H18 Br2 N4 -","- C21 H18 Br2 N4 -","- C168 H144 Br16 N32 -","8","0.5","BX4020","Schuster, Sara A.; Nesterov, Volodymyr V.; Smucker, Bradley W.","1,1'-Methylenebis(4,4'-bipyridin-1-ium) dibromide","IUCrData","2022","7","5","x220526","","10.1107/S2414314622005260","","x-ray","1.54178","CuKα","","0.0224","0.0223","","","0.0533","0.0533","","","","","","1.158","","","","has coordinates,has Fobs","275595","2022-05-21","02:15:44",""
"1567010","15.4863","0.0002","22.2936","0.0003","7.21","0.0001","90","","90","","90","","2489.22","0.06","219.9","0.4","219.9","0.4","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,1'-Methylenebis{4-[(<i>E</i>)-2-(pyridin-4-yl)ethenyl]pyridinium} dibromide dihydrate","","- C25 H26 Br2 N4 O2 -","- C25 H26 Br2 N4 O2 -","- C100 H104 Br8 N16 O8 -","4","0.5","BX4021","Neal, Henry C.; Nesterov, Volodymyr V.; Smucker, Bradley W.","1,1'-Methylenebis{4-[(<i>E</i>)-2-(pyridin-4-yl)ethenyl]pyridinium} dibromide dihydrate","IUCrData","2022","7","5","x220525","","10.1107/S2414314622005259","","x-ray","1.54184","CuKα","","0.0414","0.0362","","","0.1006","0.1038","","","","","","1.089","","","","has coordinates,has disorder,has Fobs","275596","2022-05-21","02:16:12",""
"1567011","6.1823","0.0003","24.9509","0.0011","12.7606","0.0006","90","","100.257","0.002","90","","1936.92","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(Phenyliodosyl)benzene tosylate dihydrate","Oxodiphenyl-λ^5^-iodanylium 4-methylbenzenesulfonate dihydrate","","- C19 H21 I O6 S -","- C19 H21 I O6 S -","- C76 H84 I4 O24 S4 -","4","1","BH4069","Smith, Timothy J.; Koser, Gerald; Chen, Yi; Zeller, Matthias; Iacino, Rocco; Selzer, Nichole","(Phenyliodosyl)benzene tosylate dihydrate","IUCrData","2022","7","5","x220522","","10.1107/S2414314622005223","","","0.71073","MoKα","","0.0218","0.0183","","","0.0411","0.0424","","","","","","1.091","","","","has coordinates,has Fobs","275597","2022-05-21","02:16:47",""
"1567082","23.0488","0.0009","8.1149","0.0003","18.3223","0.0007","90","","104.454","0.001","90","","3318.5","0.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Ethyl 2-[4-(4-methoxybenzyl)-3-methyl-6-oxopyridazin-1-yl]acetate","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C136 H160 N16 O32 -","8","1","TK4077","Zaoui, Younes; Assila, Hamza; Mague, Joel T.; Alsubari, Abdulsalam; Taoufik, Jamal; Ramli, Youssef; Ansar, Mhammed","Ethyl 2-[4-(4-methoxybenzyl)-3-methyl-6-oxopyridazin-1-yl]acetate","IUCrData","2022","7","6","x220582","","10.1107/S241431462200582X","","","0.71073","MoKα","","0.0625","0.0479","","","0.1484","0.1602","","","","","","1.105","","","","has coordinates,has disorder,has Fobs","300370","2025-07-05","10:12:55",""
"1567083","4.3773","0.0007","13.585","0.002","14.057","0.003","90","","90","","90","","835.9","0.3","200","2","200","2","","","","","","","Lancaster Synthesis","4","P 21 21 21","P 2ac 2ab","19","","2,6-Dibromo-4-methylaniline","","- C7 H7 Br2 N -","- C7 H7 Br2 N -","- C28 H28 Br8 N4 -","4","1","HB4398","Brihi, Ouarda; Medjani, Meriem; Bougueria, Hassiba; Djedouani, Amel; Francois, Michelle; Fleutot, Solenne; Boudjada, Ali","2,6-Dibromo-4-methylaniline","IUCrData","2022","7","6","x220577","","10.1107/S2414314622005776","","x-ray","0.71073","MoKα","","0.0446","0.0299","","","0.0663","0.0723","","","","","","0.909","","","","has coordinates,has Fobs","275905","2022-06-08","02:33:26",""
"1567144","19.3389","0.0007","18.1968","0.0007","34.039","0.001","90","","90","","90","","11978.5","0.7","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","Tetraaquadodekakis-μ~2~-chlorido-diiodido-<i>octahedro</i>-\ hexaniobium(12 <i>Nb</i>—<i>Nb</i>) tetrahydrofuran octasolvate","","- C32 H72 Cl12 I2 Nb6 O12 -","- C32 H72 Cl12 I2 Nb6 O12 -","- C256 H576 Cl96 I16 Nb48 O96 -","8","1","WM4165","Schröder, Florian; Köckerling, Martin","Tetraaquadodekakis-μ~2~-chlorido-diiodido-<i>octahedro</i>-hexaniobium(12 <i>Nb</i>—<i>Nb</i>) tetrahydrofuran octasolvate","IUCrData","2022","7","6","x220618","","10.1107/S2414314622006186","","","0.71073","MoKα","","0.0804","0.0512","","","0.1167","0.1322","","","","","","1.057","","","","has coordinates,has disorder,has Fobs","276081","2022-06-17","02:05:17",""
"1567182","8.9701","0.0003","13.2202","0.0005","14.0861","0.0005","99.609","0.003","103.133","0.003","107.676","0.003","1499","0.1","263","1","263","1","","","","","","","","5","P -1","-P 1","2","","Bis{[amino(iminiumyl)methyl]urea} tetrakis{2-[(dimethylamino)(iminiumyl)methyl]guanidine} di-μ~6~-oxido-tetra-μ~3~-oxido-tetradeca-μ~2~-oxido-octaoxidodecavanadium(V) tetrahydrate","","- C20 H70 N28 O34 V10 -","- C20 H70 N28 O34 V10 -","- C20 H70 N28 O34 V10 -","1","0.5","WM4167","Pérez-Benítez, Aarón; Ariza-Ramírez, Jorge Luis; Fortis-Valera, Monserrat; Arroyo-Carmona, Rosa Elena; Martínez de la Luz, María Isabel; Ramírez-Contreras, Diego; Bernès, Sylvain","Bis{[amino(iminiumyl)methyl]urea} tetrakis{2-[(dimethylamino)(iminiumyl)methyl]guanidine} di-μ~6~-oxido-tetra-μ~3~-oxido-tetradeca-μ~2~-oxido-octaoxidodecavanadium(V) tetrahydrate","IUCrData","2022","7","6","x220627","","10.1107/S2414314622006277","","x-ray","0.56083","AgKα","","0.0685","0.0402","","","0.0945","0.1012","","","","","","0.828","","","","has coordinates,has Fobs","276266","2022-06-25","01:57:05",""
"1567183","7.6531","0.0008","11.7862","0.0012","16.8371","0.0018","81.35","0.002","85.884","0.002","80.44","0.002","1478.9","0.3","90","0.5","90","0.5","","","","","","","","4","P -1","-P 1","2","","[1,4]Ditellurino[2,3-<i>b</i>:5,6-<i>b</i>']dipyrazine","","- C8 H4 N4 Te2 -","- C8 H4 N4 Te2 -","- C48 H24 N24 Te12 -","6","3","HB4407","Franklin, Donna; Lee, Aundrea; Fronczek, Frank R.; Junk, Thomas","[1,4]Ditellurino[2,3-<i>b</i>:5,6-<i>b</i>']dipyrazine","IUCrData","2022","7","6","x220622","","10.1107/S2414314622006228","","","0.71073","MoKα","","0.0276","0.024","","","0.0563","0.0577","","","","","","1.1","","","","has coordinates,has Fobs","276267","2022-06-25","01:58:02",""
"1567378","26.85","0.001","15.6862","0.0006","13.5175","0.0006","90","","90.062","0.002","90","","5693.2","0.4","296","","298","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","Henhexacontacopper dotriacontasulfur","","- Cu61.39 S32 -","- Cu61.385 S32 -","- Cu245.54 S128 -","4","1","WM4164","Zhou, Yawei; Fan, Changzeng; Wen, Bin; Zhang, Lifeng","Natural djurleite with refined composition Cu61.39S32 revealing disorder of some Cu sites","IUCrData","2022","7","7","x220694","","10.1107/S2414314622006940","","","0.71073","MoKα","","0.1139","0.0674","","","0.1152","0.1322","","","","","","0.952","","","","has coordinates,has disorder,has Fobs","300370","2025-07-05","10:12:56",""
"1567379","8.8585","0.0003","18.0405","0.0005","23.1961","0.0007","90","","90","","90","","3707","0.2","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-{4-[(2-Oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)methyl]-1<i>H</i>-1,2,3-triazol-1-yl}acetate","","- C21 H19 N5 O3 -","- C21 H19 N5 O3 -","- C168 H152 N40 O24 -","8","1","BX4022","Abad, Nadeem; Missioui, Mohcine; Alsubari, Abdulsalam; Mague, Joel T.; Essassi, El Mokhtar; Ramli, Youssef","Crystal structure of ethyl 2-{4-[(2-oxo-3-phenyl-1,2-dihydroquinoxalin-1-yl)methyl]-1<i>H</i>-1,2,3-triazol-1-yl}acetate","IUCrData","2022","7","7","","","10.1107/S2414314622006939","","","1.54178","CuKα","","0.0438","0.0351","","","0.0816","0.0872","","","","","","1.048","","","","has coordinates,has Fobs","276905","2022-07-23","04:25:09",""
"1567380","35.832","0.005","10.2608","0.0015","22.034","0.003","90","","118.095","0.003","90","","7146.6","1.8","100","","100","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","[(1,2,5,6-η)-Cycloocta-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-ylidene)(tricyclohexylphosphane-κ<i>P</i>)iridium(I) tetrafluoridoborate dichloromethane monosolvate","","- C33 H58 B Cl2 F4 Ir N3 P -","- C33 H58 B Cl2 F4 Ir N3 P -","- C264 H464 B8 Cl16 F32 Ir8 N24 P8 -","8","1","WM4168","Rushlow, Joshua; Astashkin, Andrei V.; Albert, Daniel R.; Rajaseelan, Edward","[(1,2,5,6-η)-Cycloocta-1,5-diene](4-isopropyl-1-methyl-1,2,4-triazol-5-ylidene)(tricyclohexylphosphane-κ<i>P</i>)iridium(I) tetrafluoridoborate dichloromethane monosolvate","IUCrData","2022","7","7","x220685","","10.1107/S241431462200685X","","","0.71073","MoKα","","0.028","0.0219","","","0.0492","0.0521","","","","","","1.046","","","","has coordinates,has Fobs","276906","2022-07-23","04:25:40",""
"1567381","6.1595","0.0005","6.1595","0.0005","6.1595","0.0005","90","","90","","90","","233.69","0.03","150","2","150","2","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Tin tellurium selenide","","- Se0.27 Sn Te0.73 -","- Se0.27 Sn Te0.73 -","- Se1.08 Sn4 Te2.92 -","4","0.0208333","","Moris, Silvana; Galdámez, Antonio","Rerefinement of the crystal structure of SnTe~0.73(2)~Se~0.27(2)~ from single-crystal X-ray diffraction data","IUCrData","2022","7","7","x220729","","10.1107/S2414314622007295","","","0.71073","MoKα","","0.0447","0.0447","","","0.1149","0.1149","","","","","","1.485","","","","has coordinates,has Fobs","276907","2022-07-23","04:26:17",""
"1567405","14.4362","0.0004","21.3403","0.0006","9.2949","0.0003","90","","98.356","0.001","90","","2833.11","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-Azido-<i>N</i>-(4-methylphenyl)acetamide","","- C9 H10 N4 O -","- C9 H10 N4 O -","- C108 H120 N48 O12 -","12","3","TK4079","Missioui, Mohcine; Guerrab, Walid; Alsubari, Abdulsalam; Mague, Joel T.; Ramli, Youssef","2-Azido-<i>N</i>-(4-methylphenyl)acetamide","IUCrData","2022","7","7","x220621","","10.1107/S2414314622006216","","","1.54178","CuKα","","0.0756","0.0585","","","0.1615","0.1783","","","","","","1.045","","","","has coordinates,has Fobs","277015","2022-07-30","02:11:02",""
"1567501","8.478","0.0011","10.5773","0.0017","14.5191","0.0019","95.81","0.012","105.762","0.012","110.651","0.014","1144.1","0.3","170.1","0.5","170.1","0.5","","","","","","","","6","P -1","-P 1","2","4-Hexenylthiazole orange iodide monohydrate","1-(Hex-5-en-1-yl)-4-{[3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}quinolin-1-ium iodide monohydrate","","- C24 H27 I N2 O S -","- C24 H27 I N2 O S -","- C48 H54 I2 N4 O2 S2 -","2","1","HB4408","Shank, Nathaniel; Stadler, Andrea L.; Barrett, Sean P.; Padgett, Clifford W.","1-(Hex-5-en-1-yl)-4-{[3-methyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]methyl}quinolin-1-ium iodide monohydrate","IUCrData","2022","7","8","x220797","","10.1107/S2414314622007970","","x-ray","0.71073","MoKα","","0.1233","0.0601","","","0.1337","0.1711","","","","","","1.03","","","","has coordinates,has Fobs","277319","2022-08-19","01:55:47",""
"1567532","41.574","0.003","8.6065","0.0007","18.2384","0.0014","90","","90","","90","","6525.8","0.9","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","Bis[3,5-difluoro-2-(pyridin-2-yl)phenyl](4,4'-dimethoxy-2,2'-bipyridine)iridium(III) hexafluoridophosphate","","- C34 H24 F10 Ir N4 O2 P -","- C34 H24 F10 Ir N4 O2 P -","- C272 H192 F80 Ir8 N32 O16 P8 -","8","1","ZL4051","Shevlin, Madelyn R.; Stumbo, Emily E.; McMillen, Colin D.; Pienkos, Jared A.","Bis[3,5-difluoro-2-(pyridin-2-yl)phenyl](4,4'-dimethoxy-2,2'-bipyridine)iridium(III) hexafluoridophosphate","IUCrData","2022","7","8","x220830","","10.1107/S2414314622008306","","","1.54178","CuKα","","0.0317","0.0278","","","0.0639","0.0677","","","","","","1.163","","","","has coordinates,has Fobs","277425","2022-08-27","02:54:16",""
"1567533","8.3567","0.0003","7.0331","0.0002","16.5792","0.0006","90","","91.218","0.001","90","","974.2","0.06","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Tetracarbonyldi-μ-chlorido-dichloridobis(η^5^-cyclopentadienyl)diirondigallium(2 <i>Fe—Ga</i>)","","- C14 H10 Cl4 Fe2 Ga2 O4 -","- C14 H10 Cl4 Fe2 Ga2 O4 -","- C28 H20 Cl8 Fe4 Ga4 O8 -","2","0.5","BT4125","Harakas, George N.; Demmin, Mary Elizabeth","Tetracarbonyldi-μ-chlorido-dichloridobis(η^5^-cyclopentadienyl)diirondigallium(2 <i>Fe{—</i>Ga})","IUCrData","2022","7","8","x220832","","10.1107/S241431462200832X","","","0.71073","MoKa","","0.0547","0.0388","","","0.0812","0.0855","","","","","","1.208","","","","has coordinates,has disorder,has Fobs","277426","2022-08-27","02:54:58",""
"1567534","6.0155","0.0001","16.5935","0.0003","19.2093","0.0003","101.541","0.002","97.341","0.002","92.928","0.002","1857.47","0.06","150.15","","150.15","","","","","","","","","4","P -1","-P 1","2","","4,4'-Methylenebis[<i>N</i>-(2-hydroxy-3-methoxybenzylidene)-2,6-diisopropylaniline]","","- C41 H50 N2 O4 -","- C41 H50 N2 O4 -","- C82 H100 N4 O8 -","2","1","BV4044","Prapakaran, Tulasi; Murugavel, Ramaswamy","4,4'-Methylenebis[<i>N</i>-(2-hydroxy-3-methoxybenzylidene)-2,6-diisopropylaniline]","IUCrData","2022","7","8","x220793","","10.1107/S2414314622007933","","x-ray","0.71073","MoKα","","0.0619","0.0482","","","0.1166","0.1264","","","","","","1.027","","","","has coordinates","277427","2022-08-27","02:55:52",""
"1567606","12.1592","0.0008","18.926","0.0014","20.3097","0.0017","90","","91.474","0.003","90","","4672.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Ethidium heptafluorobutyrate","3,8-Diamino-5-ethyl-6-phenylphenanthridin-5-ium 2,2,3,3,4,4,4-heptafluorobutyrate","","- C25 H20 F7 N3 O2 -","- C25 H20 F7 N3 O2 -","- C200 H160 F56 N24 O16 -","8","2","XU4048","Shimazaki, Runa; Sadakiyo, Masaaki","Ethidium heptafluorobutyrate","IUCrData","2022","7","9","x220884","","10.1107/S2414314622008847","","","0.71069","MoKα","","0.1146","0.0892","","","0.2023","0.2182","","","","","","1.107","","","","has coordinates,has Fobs","277751","2022-09-09","02:09:15",""
"1567607","6.3498","0.0005","9.8991","0.0009","11.5969","0.001","90","","105.817","0.003","90","","701.35","0.1","150","2","149.98","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Methyl-5-nitroimidazolium chloride","","- C4 H6 Cl N3 O2 -","- C4 H6 Cl N3 O2 -","- C16 H24 Cl4 N12 O8 -","4","1","TK4083","Bellia, Sophia; Anderson, Grace; Zeller, Matthias; Mirjafari, Arsalan; Hillesheim, Patrick C.","1-Methyl-5-nitroimidazolium chloride","IUCrData","2022","7","9","x220878","","10.1107/S2414314622008781","","","0.71073","MoKα","","0.0275","0.0255","","","0.0702","0.0715","","","","","","1.08","","","","has coordinates,has Fobs","277752","2022-09-09","02:10:02",""
"1567638","8.3312","0.0014","9.6506","0.0016","11.797","0.002","94.261","0.004","107.335","0.004","112.326","0.003","818.4","0.2","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","3-(2,3-Dimethoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one","","- C21 H18 O4 -","- C21 H18 O4 -","- C42 H36 O8 -","2","1","HB4411","Sung, Jiha","3-(2,3-Dimethoxyphenyl)-2,3-dihydro-1<i>H</i>-benzo[<i>f</i>]chromen-1-one","IUCrData","2022","7","9","x220885","","10.1107/S2414314622008859","","","0.71073","MoKα","","0.0967","0.0569","","","0.1321","0.2044","","","","","","1.128","","","","has coordinates,has Fobs","277824","2022-09-14","01:49:22",""
"1567639","7.4776","0.0001","19.104","0.0002","26.0919","0.0003","90","","90","","90","","3727.28","0.08","112.3","0.7","112.3","0.7","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H14 I2 N2 O2 -","- C20 H14 I2 N2 O2 -","- C160 H112 I16 N16 O16 -","8","1","GG4010","Blackwelder, Lauren A.; Kelley, Andrea R.; Balaich, Gary J.; Jefferies, Latisha R.","2,2'-{(1<i>E</i>,1'<i>E</i>)-[Ethane-1,2-diylbis(azanylylidene)]bis(methanylylidene)}bis(4-iodophenol)","IUCrData","2022","7","9","x220895","","10.1107/S2414314622008951","","x-ray","0.71073","MoKα","","0.0226","0.0202","","","0.0435","0.0443","","","","","","1.087","","","","has coordinates,has Fobs","277825","2022-09-14","01:50:16",""
"1567651","8.405","0.001","11.029","0.002","11.52","0.003","89.1","0.02","77.06","0.02","87.17","0.02","1039.5","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","Isopropyl 4-aminobenzoate","","- C10 H13 N O2 -","- C10 H13 N O2 -","- C40 H52 N4 O8 -","4","2","HB4410","Priyanka, Prabhakar; Jayanna, Bidarur K.; Kiran Kumar, Haruvegowda; Yathirajan, Hemmige S.; Divakara, Thayamma R.; Foro, Sabine; Butcher, Ray J.","Isopropyl 4-aminobenzoate","IUCrData","2022","7","9","x220904","","10.1107/S241431462200904X","","","0.71073","MoKα","","0.2383","0.0827","","","0.1032","0.1351","","","","","","0.975","","","","has coordinates,has Fobs","277912","2022-09-16","01:05:19",""
"1567691","19.0804","0.0017","4.6758","0.0003","10.1189","0.0008","90","","101.169","0.007","90","","885.67","0.12","295","1","295","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Bis(4-hydroxyphenyl) 1,4-phenylenebiscarbamate","4-Hydroxyphenyl <i>N</i>-{4-[(4-hydroxyphenoxycarbonyl)amino]phenyl}carbamate","","- C20 H16 N2 O6 -","- C20 H16 N2 O6 -","- C40 H32 N4 O12 -","2","0.5","TK4084","Martínez-de la Luz, Isabel; López-Velázquez, Delia; Bernès, Sylvain; Varela Caselis, Jenaro L.","Bis(4-hydroxyphenyl) 1,4-phenylenebiscarbamate","IUCrData","2022","7","9","x220919","","10.1107/S2414314622009191","","x-ray","0.56083","AgKα","","0.0855","0.0511","","","0.1544","0.1649","","","","","","1.064","","","","has coordinates","278240","2022-09-28","02:08:41",""
"1567692","8.2745","0.0005","7.9167","0.0006","23.0663","0.0017","90","","93.225","0.004","90","","1508.61","0.18","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Methyl-5-(4-methylphenoxy)-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","HB4413","Archana, Sreeramapura D.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Yathirajan, Hemmige S.; Balerao, Rishik; Butcher, Ray J.","3-Methyl-5-(4-methylphenoxy)-1-phenyl-1<i>H</i>-pyrazole-4-carbaldehyde","IUCrData","2022","7","9","x220924","","10.1107/S2414314622009245","","","0.71073","MoKα","","0.084","0.0507","","","0.1258","0.1497","","","","","","1.084","","","","has coordinates","278241","2022-09-28","02:09:04",""
"1567693","8.1891","0.0015","8.2417","0.0015","12.813","0.003","81.632","0.009","81.394","0.01","66.649","0.008","781.5","0.3","93","","93","","","","","","","","","5","P -1","-P 1","2","","10-[(4-Nitrophenyl)ethynyl]-10<i>H</i>-phenothiazine","","- C20 H12 N2 O2 S -","- C20 H12 N2 O2 S -","- C40 H24 N4 O4 S2 -","2","1","BH4070","Okuno, Tsunehisa; Doi, Ikue","10-[(4-Nitrophenyl)ethynyl]-10<i>H</i>-phenothiazine","IUCrData","2022","7","9","x220942","","10.1107/S2414314622009427","","","0.71075","MoKα","","0.0476","0.0373","","","0.0921","0.0997","","","","","","1.091","","","","has coordinates","278242","2022-09-28","02:09:25",""
"1567694","15.8594","0.0007","5.0437","0.0002","40.6908","0.0017","90","","90.507","0.002","90","","3254.7","0.2","147","2","147","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(<i>E</i>)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(naphthalen-1-yl)prop-2-en-1-one","","- C21 H18 O4 -","- C21 H18 O4 -","- C168 H144 O32 -","8","1","TK4085","Koh, Dongsoo","(<i>E</i>)-1-(2-Hydroxy-4,6-dimethoxyphenyl)-3-(naphthalen-1-yl)prop-2-en-1-one","IUCrData","2022","7","9","x220932","","10.1107/S2414314622009324","","","1.54178","CuKα","","0.0389","0.037","","","0.0962","0.0978","","","","","","1.034","","","","has coordinates","278243","2022-09-28","02:09:48",""
"1567720","7.6534","0.0016","8.6079","0.0015","11.369","0.002","94.433","0.007","97.953","0.008","97.019","0.007","732.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-(3-Nitrophenyl)-1-[4-(prop-2-ynyloxy)phenyl]prop-2-en-1-one","","- C18 H13 N O4 -","- C18 H13 N O4 -","- C36 H26 N2 O8 -","2","1","BT4126","Vinaya; Basavaraju, Yeriyur B.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Yathirajan, Hemmige S.; Balerao, Rishik; Butcher, Ray J.","3-(3-Nitrophenyl)-1-[4-(prop-2-ynyloxy)phenyl]prop-2-en-1-one","IUCrData","2022","7","10","x220957","","10.1107/S2414314622009579","","","0.71073","MoKα","","0.0644","0.0459","","","0.1253","0.1367","","","","","","1.077","","","","has coordinates","279116","2022-11-08","19:41:33",""
"1567765","13.5215","0.0013","13.5537","0.0014","13.6079","0.0014","92.202","0.004","113.379","0.003","117.604","0.004","1951.3","0.4","90","2","90","2","","","","","","","","4","P -1","-P 1","2","(C21H20N3)(C24H20B1)(C2H3N1)2","3,8-Diamino-5-ethyl-6-phenylphenanthridin-5-ium tetraphenylborate acetonitrile disolvate","","- C49 H46 B N5 -","- C49 H46 B N5 -","- C98 H92 B2 N10 -","2","1","HB4412","Shimazaki, Runa; Sadakiyo, Masaaki","Ethidium tetraphenylborate acetonitrile disolvate","IUCrData","2022","7","10","x220951","","10.1107/S2414314622009518","","","0.71069","MoKα","","0.0752","0.0596","","","0.1365","0.1486","","","","","","1.033","","","","has coordinates","278546","2022-10-12","02:21:49",""
"1567766","11.8289","0.0006","16.7287","0.0008","17.7234","0.0009","116.207","0.0014","91.0059","0.0015","100.454","0.0015","3075.4","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","(1<i>S</i>,3<i>R</i>)-<i>N</i>-{(3<i>S</i>,10<i>S</i>,12<i>S</i>,13<i>R</i>,17<i>R</i>)-12-Hydroxy-17-[(<i>R</i>)-5-hydroxypentan-2-yl]-10,13-dimethylhexadecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-3-yl}adamantane-1-carboxamide 0.25-hydrate","","- C35 H57.5 N O3.25 -","- C35 H57.495 N O3.25 -","- C140 H229.98 N4 O13 -","4","4","BT4124","Campos Fernandez, Cristian; Procupez-Schtirbu, R.; Soto-Tellini, V. H.; Salazar, J. C.; Jancik, Vojtech","(1<i>S</i>,3<i>R</i>)-<i>N</i>-{(3<i>S</i>,10<i>S</i>,12<i>S</i>,13<i>R</i>,17<i>R</i>)-12-Hydroxy-17-[(<i>R</i>)-5-hydroxypentan-2-yl]-10,13-dimethylhexadecahydro-1<i>H</i>-cyclopenta[<i>a</i>]phenanthren-3-yl}adamantane-1-carboxamide 0.25-hydrate","IUCrData","2022","7","10","x220947","","10.1107/S2414314622009476","","","0.71073","MoKα","","0.0917","0.062","","","0.1125","0.1214","","","","","","1.074","","","","has coordinates,has disorder","278547","2022-10-12","02:22:38",""
"1567862","11.0149","0.0012","14.0459","0.0012","13.3983","0.0013","90","","109.205","0.012","90","","1957.5","0.4","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,5-Diferrocenyl-1,2-dithiole-3-thione","","- C23 H18 Fe2 S3 -","- C23 H18 Fe2 S3 -","- C92 H72 Fe8 S12 -","4","1","IM4016","Sánchez-García, Jessica J.; Flores-Alamo, Marcos; Nuñez-Gordillo, Amairany; Klimova, Elena I.","4,5-Diferrocenyl-1,2-dithiole-3-thione","IUCrData","2022","7","10","x221011","","10.1107/S2414314622010112","","","0.71073","MoKα","","0.0636","0.0389","","","0.0674","0.0787","","","","","","1.038","","","","has coordinates","279117","2022-11-08","19:41:43",""
"1567863","10.7859","0.0013","14.5638","0.0016","14.9956","0.0014","90","","97.144","0.003","90","","2337.3","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","5-(4-Fluorophenyl)-1-[4-(4-methylphenyl)thiazol-2-yl]-3-[4-(prop-2-ynyloxy)phenyl]-4,5-dihydro-1<i>H</i>-pyrazole","","- C28 H22 F N3 O S -","- C28 H22 F N3 O S -","- C112 H88 F4 N12 O4 S4 -","4","1","BT4127","Archana, Sreeramapura D.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Yathirajan, Hemmige S.; Balerao, Rishik; Butcher, Ray J.","5-(4-Fluorophenyl)-1-[4-(4-methylphenyl)thiazol-2-yl]-3-[4-(prop-2-ynyloxy)phenyl]-4,5-dihydro-1<i>H</i>-pyrazole","IUCrData","2022","7","10","x221003","","10.1107/S2414314622010033","","","0.71073","MoKα","","0.0623","0.0427","","","0.1089","0.1237","","","","","","1.045","","","","has coordinates","278797","2022-10-26","02:27:38",""
"1567881","7.161","0.0016","26.271","0.006","7.7474","0.0017","90","","95.495","0.003","90","","1450.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-Hydroxy-4-methylpyridinium chloride","","- C6 H8 Cl N O -","- C6 H8 Cl N O -","- C48 H64 Cl8 N8 O8 -","8","2","HB4415","Saini, Aarti; Dhanwant, Kisturi; Thirumoorthi, Ramalingam","1-Hydroxy-4-methylpyridinium chloride","IUCrData","2022","7","10","x221023","","10.1107/S2414314622010239","","","0.71073","MoKα","","0.0543","0.0423","","","0.1207","0.1293","","","","","","1.061","","","","has coordinates","278877","2022-10-29","12:27:42",""
"1567886","10.4177","0.0004","11.7104","0.0003","21.5388","0.0007","90","","99.964","0.003","90","","2588","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Morpholin-4-ium [5-cyano-6-(4-methylphenyl)-4-(morpholin-4-yl)pyrimidin-2-yl](phenylsulfonyl)amide","","- C26 H30 N6 O4 S -","- C26 H30 N6 O4 S -","- C104 H120 N24 O16 S4 -","4","1","HB4417","Mohamed-Ezzat, Reham A.; Kariuki, Benson M.; Azzam, Rasha A.","Morpholin-4-ium [5-cyano-6-(4-methylphenyl)-4-(morpholin-4-yl)pyrimidin-2-yl](phenylsulfonyl)amide","IUCrData","2022","7","11","x221033","","10.1107/S2414314622010331","","","0.71073","MoKα","","0.0666","0.0473","","","0.117","0.1299","","","","","","1.066","","","","has coordinates","278899","2022-11-01","12:35:35",""
"1567903","10.4436","0.0005","17.3961","0.0009","17.8229","0.0009","79.729","0.003","77.923","0.003","83.103","0.003","3104.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","2,5,8,11-Tetramethyl-2,5,8,11-tetraazadodecane-2,11-diium bis[hydroxytris(pentafluorophenyl)borate] benzene 2.5-solvate","","- C63 H49 B2 F30 N4 O2 -","- C63 H49 B2 F30 N4 O2 -","- C126 H98 B4 F60 N8 O4 -","2","1","BT4128","Butcher, Ray J.; Purdy, Andrew P.","2,5,8,11-Tetramethyl-2,5,8,11-tetraazadodecane-2,11-diium bis[hydroxytris(pentafluorophenyl)borate] benzene 2.5-solvate","IUCrData","2022","7","11","x221049","","10.1107/S2414314622010495","","","0.71073","MoKα","","0.1262","0.0607","","","0.1124","0.1315","","","","","","1.002","","","","has coordinates","278949","2022-11-05","03:02:22",""
"1567932","13.9677","0.0011","9.7997","0.0005","18.4125","0.0014","90","","92.98","0.003","90","","2516.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(4-Methoxyphenyl)-1-[4-(4-methoxyphenyl)thiazol-2-yl]-3-[4-(prop-2-ynyloxy)phenyl]-4,5-dihydro-1<i>H</i>-pyrazole","","- C29 H25 N3 O3 S -","- C29 H25 N3 O3 S -","- C116 H100 N12 O12 S4 -","4","1","VM4053","Archana, Sreeramapura D.; Nagma Banu, Holalagudu A.; Kalluraya, Balakrishna; Yathirajan, Hemmige S.; Balerao, Rishik; Butcher, Ray J.","5-(4-Methoxyphenyl)-1-[4-(4-methoxyphenyl)thiazol-2-yl]-3-[4-(prop-2-ynyloxy)phenyl]-4,5-dihydro-1<i>H</i>-pyrazole","IUCrData","2022","7","11","x221047","","10.1107/S2414314622010471","","","0.71073","MoKα","","0.0777","0.0507","","","0.1305","0.1528","","","","","","1.045","","","","has coordinates,has disorder","279136","2022-11-09","03:15:48",""
"1567933","18.129","0.0006","11.0936","0.0005","17.9971","0.0007","90","","104.849","0.004","90","","3498.6","0.2","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Bis[(4-methylphenyl)diphenylphosphane-κ<i>P</i>](nitrato-κ^2^<i>O</i>,<i>O</i>')silver(I)","","- C38 H34 Ag N O3 P2 -","- C38 H34 Ag N O3 P2 -","- C152 H136 Ag4 N4 O12 P8 -","4","0.5","TK4086","Malan, Frederick P.; Potgieter, Kariska; Meijboom, Reinout","Bis[(4-methylphenyl)diphenylphosphane-κ<i>P</i>](nitrato-κ^2^<i>O</i>,<i>O</i>')silver(I)","IUCrData","2022","7","11","x221045","","10.1107/S2414314622010458","","x-ray","1.54184","CuKα","","0.0559","0.0475","","","0.1066","0.109","","","","","","1.062","","","","has coordinates","279137","2022-11-09","03:16:10",""
"2300510","9.42","","4.491","","8.6","","90","","117.5","","90","","322.717","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Os O2 F2","","- F2 O2 Os -","- F2 O2 Os -","- F8 O8 Os4 -","4","0.5","","Burbank, R.D.","X-Ray Study of an Osmium Oxyfluoride of Unknown Composition","Journal of Applied Crystallography","1974","7","","41","44","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310065","5.79","","3.5","","5.51","","90","","107.5","","90","","106.492","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Ag O -","- Ag O -","- Ag4 O4 -","4","0.5","","McMillan, J.A.","The crystalline structure of Ag O","Acta Crystallographica (1,1948-23,1967)","1954","7","","640","640","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310071","11.08","","13.74","","6.23","","90","","90","","90","","948.45","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Cs (Ag2 I3)","","- Ag2 Cs I3 -","- Ag2 Cs I3 -","- Ag8 Cs4 I12 -","4","0.5","","Binnendijk, N.F.; Brink, C.; van de Linde, J.","The crystal structures of Cs Cu2 Cl3 and Cs Ag2 I3","Acta Crystallographica (1,1948-23,1967)","1954","7","","176","180","10.1107/S0365110X54000503","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2310098","5.42","","3.98","","7.44","","90","","90","","90","","160.493","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Rh2 B","","- B Rh2 -","- B Rh2 -","- B4 Rh8 -","4","0.5","","Mooney, R.W.; Welch, A.J.E.","The Crystal Structure of Rh2 B","Acta Crystallographica (1,1948-23,1967)","1954","7","","49","53","10.1107/S0365110X54000072","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2310235","7.19","","10.79","","5.21","","90","","90","","90","","404.192","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Hg Na -","- Hg Na -","- Hg8 Na8 -","8","0.5","","Nielson, J.W.; Baenziger, N.C.","The crystal strutures of Na Hg2, Na Hg and Na3 Hg2","Acta Crystallographica (1,1948-23,1967)","1954","7","","277","282","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310236","5.029","","5.029","","3.2304","","90","","90","","120","","70.754","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Hg2 Na -","- Hg2 Na -","- Hg2 Na -","1","0.0416667","","Nielson, J.W.; Baenziger, N.C.","The crystal strutures of Na Hg2, Na Hg and Na3 Hg2","Acta Crystallographica (1,1948-23,1967)","1954","7","","277","282","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310237","8.52","","8.52","","7.8","","90","","90","","90","","566.205","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Hg4 Na6 -","- Hg4 Na6 -","- Hg8 Na12 -","2","0.125","","Nielson, J.W.; Baenziger, N.C.","The crystal strutures of Na Hg2, Na Hg and Na3 Hg2","Acta Crystallographica (1,1948-23,1967)","1954","7","","277","282","","","","","","","","","","","","","","","","","","","","","","has coordinates","283803","2023-05-16","08:05:53",""
"2310286","4.003","","4.003","","4.003","","90","","90","","90","","64.144","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Cd Sr -","- Cd Sr -","- Cd Sr -","1","0.0208333","","Ferro, R.","The crystal structures of Sr Cd, Ba Cd, Sr Hg and Ba Hg","Acta Crystallographica (1,1948-23,1967)","1954","7","","781","781","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:00",""
"2310333","3.42","","4.32","","5.41","","90","","90","","90","","79.93","","","","","","","","","","","","","2","B m m b","-B 2b 2","63","","H F","","- F H -","- F -","- F4 -","4","0.25","","Atoji, M.; Lipscomb, W.N.","The crystal structure of hydrogen fluoride","Acta Crystallographica (1,1948-23,1967)","1954","7","","173","175","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310349","9.49","","11.88","","5.61","","90","","90","","90","","632.478","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Cs (Cu2 Cl3)","","- Cl3 Cs Cu2 -","- Cl3 Cs Cu2 -","- Cl12 Cs4 Cu8 -","4","0.25","","Brink, C.; Binnendijk, N.F.; van de Linde, J.","The crystal structures of Cs Cu2 Cl3 and Cs Ag2 I3","Acta Crystallographica (1,1948-23,1967)","1954","7","","176","180","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310720","9.67","","7.99","","7.81","","90","","90","","90","","603.426","","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Ba S4 (H2 O)","","- Ba H2 O S4 -","- Ba H2 O S4 -","- Ba4 H8 O4 S16 -","4","1","","Abrahams, S. C.","The crystal structure of barium tetrasulfide monohydrate","Acta Crystallographica (1,1948-23,1967)","1954","7","5","423","429","10.1107/S0365110X54001272","","","","","","","","","","","","","","","","","","","","","has coordinates","189185","2020-10-21","18:00:00",""
"2310729","8.224","","8.224","","8.224","","90","","90","","90","","556.223","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mg Fe Al O4","","- Al Fe Mg O4 -","- Al Fe Mg O4 -","- Al8 Fe8 Mg8 O32 -","8","0.0416667","","Bacon, G.E.; Welch, A.J.E.","An X-ray examination of the spinel-type mixed oxide, Mg Fe Al O4","Acta Crystallographica (1,1948-23,1967)","1954","7","","361","363","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310733","6.6","","11.42","","6.96","","90","","90","","90","","524.589","","","","","","","","","","","","","2","C 2 2 21","C 2c 2","20","","K2 Zr F6","","- K2 Zr -","- K2 Zr -","- K8 Zr4 -","4","0.5","","Bode, H.","Ueber die Kristallstrukturen der Hexafluorozirkonate","Acta Crystallographica (1,1948-23,1967)","1954","7","","637","637","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310734","13.5","","11.68","","7.74","","90","","90","","90","","1220.44","","","","","","","","","","","","","1","P b a m","-P 2 2ab","55","","(N H4)2 (Zr F6)","","- Zr -","- Zr -","- Zr8 -","8","1","","Bode, H.","Ueber die Kristallstrukturen der Hexafluorozirkonate","Acta Crystallographica (1,1948-23,1967)","1954","7","","637","637","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310749","5.71","","10.88","","5.48","","130.83","","80.83","","108.5","","243.737","","","","","","","","","","","","","2","P -1","-P 1","2","","(I Cl3)2","","- Cl6 I2 -","- Cl6 I2 -","- Cl6 I2 -","1","0.5","","Boswijk, K.H.; Wiebenga, E.H.","The Crystal Structure of I2 Cl6 (I Cl3)","Acta Crystallographica (1,1948-23,1967)","1954","7","","417","423","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310840","19.54","","7.3","","7.56","","90","","102","","90","","1054.81","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","N2 O5 (S O3)3","","- N2 O14 S3 -","- N2 O14 S3 -","- N8 O56 S12 -","4","1","","Eriks, K.; MacGillavry, C.H.","The Crystal Structure of N2 O5 (S O3)3","Acta Crystallographica (1,1948-23,1967)","1954","7","","430","434","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310868","8.96","","5.63","","10.3","","90","","115.4","","90","","469.356","","","","","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","Ca2 Fe Al2 Si3 O12 O H","","- Al2 Ca2 Fe H O13 Si3 -","- Al2 Ca2 Fe O13 Si3 -","- Al4 Ca4 Fe2 O26 Si6 -","2","0.5","","Ito, T.; Morimoto, N.; Sadanaga, R.","On the Structure of Epidote","Acta Crystallographica (1,1948-23,1967)","1954","7","","53","59","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310901","3.922","","3.922","","3.922","","90","","90","","90","","60.329","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Hg Sr -","- Hg Sr -","- Hg Sr -","1","0.0208333","","Ferro, R.","The crystal structures of Sr Cd, Ba Cd, Sr Hg and Ba Hg","Acta Crystallographica (1,1948-23,1967)","1954","7","","781","781","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310922","6.65","","6.65","","11.26","","90","","90","","120","","431.233","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Hg2 N Br","","- Br Hg2 N -","- Br Hg2 N -","- Br4 Hg8 N4 -","4","0.166667","","Nijssen, L.; Lipscomb, W.N.","A Hexagonal Modification of a Salt of Millon's Base","Acta Crystallographica (1,1948-23,1967)","1954","7","","103","106","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310931","6.612","","6.612","","5.2943","","90","","90","","90","","231.459","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","Zr2 Si","","- Si Zr2 -","- Si Zr2 -","- Si4 Zr8 -","4","0.125","","Pietrokowsky, P.","The intermediate phase Zr2 Si","Acta Crystallographica (1,1948-23,1967)","1954","7","","435","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310960","3.461","","3.461","","4.395","","90","","90","","90","","52.646","","","","","","","","","","","","","2","I 4/m","-I 4","87","","Hf H1.98","","- H1.98 Hf -","- H1.98 Hf -","- H3.96 Hf2 -","2","0.125","","Sidhu, S.S.","The Effect on Metal-Metal Bonds of Increased Concentration of Hydrogen in Hafnium Dihydride","Acta Crystallographica (1,1948-23,1967)","1954","7","","447","449","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310961","3.478","","3.478","","4.361","","90","","90","","90","","52.753","","","","","","","","","","","","","2","I 4/m","-I 4","87","","Hf H2","","- H2 Hf -","- H2 Hf -","- H4 Hf2 -","2","0.125","","Sidhu, S.S.","The Effect on Metal-Metal Bonds of Increased Concentration of Hydrogen in Hafnium Dihydride","Acta Crystallographica (1,1948-23,1967)","1954","7","","447","449","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310963","8.41","","8.41","","5.33","","90","","90","","90","","376.981","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","(N H4)2 O","","- H8 N2 O -","- H8 N2 O -","- H32 N8 O4 -","4","0.5","","Siemons, W.J.; Templeton, D.H.","The Crystal Structure of Ammonium Oxide","Acta Crystallographica (1,1948-23,1967)","1954","7","","194","198","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:01",""
"2310972","8.11","","8.43","","5.55","","71.6","","82.4","","81.7","","354.747","","","","","","","","","","","","","4","P -1","-P 1","2","","(H N O3) (S O3)2","","- H N O9 S2 -","- N O9 S2 -","- N2 O18 S4 -","2","1","","Steeman, J.W.M.; MacGillavry, C.H.","The crystal structure of the compound H N O3 (S O3)2","Acta Crystallographica (1,1948-23,1967)","1954","7","","402","404","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310973","4.939","","4.939","","4.939","","90","","90","","90","","120.481","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Pb17 Tl3)0.2","","- Pb3.4 Tl0.6 -","- Pb3.4 Tl0.6 -","- Pb3.4 Tl0.6 -","1","0.00520833","","Tyzack, C.; Raynor, G.V.","The lattice spacings of lead-rich substitutional solid solutions","Acta Crystallographica (1,1948-23,1967)","1954","7","","505","510","","","","","","","","","","","","","","","","","","","","","","has coordinates","167980","2020-10-21","18:00:00",""
"2311004","4.1284","","4.1284","","4.1284","","90","","90","","90","","70.363","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Nd B6","","- B6 Nd -","- B6 Nd -","- B6 Nd -","1","0.0208333","","Blum, P.; Bertaut, F.","Contribution a l'etude des borures a teneur elevee en bore","Acta Crystallographica (1,1948-23,1967)","1954","7","","81","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311005","4.1444","","4.1444","","4.1444","","90","","90","","90","","71.184","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","Yb B6","","- B6 Yb -","- B6 Yb -","- B6 Yb -","1","0.0208333","","Blum, P.; Bertaut, F.","Contribution a l'etude des borures a teneur elevee en bore","Acta Crystallographica (1,1948-23,1967)","1954","7","","81","86","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311018","15.94","","15.94","","12.38","","90","","90","","120","","2724.13","","","","","","","","","","","","","2","R 3 2 :H","R 3 2""","155","","(N H4)6 (Mn Mo9 O32) (H2 O)8","","- Mn Mo3 -","- Mn Mo3 -","- Mn3 Mo9 -","3","0.166667","","Waugh, J.L.T.; Shoemaker, D.P.; Pauling, L.","On the structure of the heteropoly anion in ammonium 9-molybdomanganate, (N H4)6 Mn Mo9 O32 (H2 O)8","Acta Crystallographica (1,1948-23,1967)","1954","7","","438","441","","","","","","","","","","","","","","","","","","","","","","has coordinates","301809","2025-08-19","19:04:02",""
"2311021","5.6145","","5.6145","","13.754","","90","","90","","120","","375.476","","","","","","","","","","","","","4","P 3 m 1","P 3 -2""","156","","K2 Li (Al F6)","","- Al F6 K2 Li -","- Al F6 K2 Li -","- Al3 F18 K6 Li3 -","3","0.5","","Winkler, H.G.F.","Betrachtungen zur Polymorphie. Die Polymorphie des K2 Li (Al F6)","Acta Crystallographica (1,1948-23,1967)","1954","7","","33","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311028","9.16","","9.16","","18.167","","90","","90","","90","","1524.31","","","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","K3 (U O2) F5","","- F5 K3 O2 U -","- F5 K3 O2 U -","- F40 K24 O16 U8 -","8","0.5","","Zachariasen, W.H.","Crystal chemical studies of the 5f-Series of elements. XX. The crystal structure of tri-potassium uranyl fluoride","Acta Crystallographica (1,1948-23,1967)","1954","7","","783","787","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311029","6.52","","6.595","","6.924","","90","","90","","90","","297.728","","","","","","","","","","","","","3","I m m a (-a,c,b)","-I 2b 2 (-x,z,y)","74","","Mg (U O4)","","- Mg O4 U -","- Mg O4 U -","- Mg4 O16 U4 -","4","","","Zachariasen, W.H.","Crystal chemical studies of the 5f-series of elements. XXI. The crystal structure of magnesium orthouranate","Acta Crystallographica (1,1948-23,1967)","1954","7","","788","791","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311030","9.22","","9.22","","18.34","","90","","90","","90","","1559.05","","","","","","","","","","","","","3","I 41/a :2","-I 4ad","88","","K3 (U F7)","","- F7 K3 U -","- F7 K3 U -","- F56 K24 U8 -","8","0.5","","Zachariasen, W.H.","Crystal chemical studies of the 5f-series of elements. XXII. The crystal structure of K3 U F7","Acta Crystallographica (1,1948-23,1967)","1954","7","","792","794","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2311031","9.22","","9.22","","9.22","","90","","90","","90","","783.777","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","K3 (U F7)","","- F7 K3 U -","- F7.0242 K3 U -","- F28.0968 K12 U4 -","4","0.0208333","","Zachariasen, W.H.","Crystal chemical studies of the 5f-series of elements. XXII. The crystal structure of K3 U F7","Acta Crystallographica (1,1948-23,1967)","1954","7","","792","794","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"3000098","12.5269","","12.5269","","12.7181","","90","","90","","120","","1728.38","","298","","298","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B2 Ba O4 -","- B36 Ba18 O72 -","18","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0366","0.0311","","","0.0341","0.0352","","","","1.22","1.22","1.17","","","","has coordinates","265307","2021-05-18","16:36:57",""
"3000099","12.5517","0.0019","12.5517","0.0019","12.985","0.003","90","","90","","120","","1771.6","0.6","693","","693","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B0.666667 Ba0.333333 O1.33333 -","- B36 Ba18 O72 -","54","3","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000100","12.5806","0.0014","12.5806","0.0014","12.7947","0.0018","90","","90","","120","","1753.7","0.4","323","","323","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B2 Ba O4 -","- B36 Ba18 O72 -","18","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0296","0.0293","","","0.0382","0.0383","","","","3.3","3.3","3.28","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000101","12.5685","0.0014","12.5685","0.0014","12.7714","0.0018","90","","90","","120","","1747.2","0.4","298","","298","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B2 Ba O4 -","- B36 Ba18 O72 -","18","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0244","0.0242","","","0.0304","0.0305","","","","2.67","2.67","2.66","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000102","12.582","0.0015","12.582","0.0015","12.7519","0.0019","90","","90","","120","","1748.3","0.4","223","","223","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B2 Ba O4 -","- B36 Ba18 O72 -","18","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.024","0.0237","","","0.0294","0.0295","","","","2.55","2.55","2.54","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000103","12.5828","0.0015","12.5828","0.0015","12.7291","0.0018","90","","90","","120","","1745.4","0.4","173","","173","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B2 Ba O4 -","- B36 Ba18 O72 -","18","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0294","0.0293","","","0.0392","0.0392","","","","3.5","3.5","3.49","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000104","12.5868","0.0018","12.5868","0.0018","12.709","0.002","90","","90","","120","","1743.7","0.4","123","","123","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B2 Ba O4 -","- B36 Ba18 O72 -","18","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0246","0.0245","","","0.0315","0.0315","","","","2.84","2.84","2.84","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000105","12.5761","0.0003","12.5761","0.0003","12.6453","0.0009","90","","90","","120","","1732.02","0.14","98","","98","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- B2 Ba O4 -","- B2 Ba O4 -","- B36 Ba18 O72 -","18","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0342","0.0341","","","0.0449","0.0449","","","","4","4","4","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000106","7.242","0.006","7.242","0.006","39.25","0.002","90","","90","","120","","1783","2","673","","673","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- B2 Ba O4 -","- B0.666667 Ba0.333333 O1.33333 -","- B36 Ba18 O72 -","54","1.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000107","7.227","0.006","7.227","0.006","39.031","0.002","90","","90","","120","","1765","2","298","","298","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- B2 Ba O4 -","- B0.666667 Ba0.333333 O1.33333 -","- B36 Ba18 O72 -","54","1.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71069","MoKα","","","","","","","","","","","","","","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000108","8.555","0.0012","8.555","0.0012","8.443","0.0013","90","","90","","120","","535.14","0.13","98","","98","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Al2 B2 K2 O7 -","- Al2 B2 K2 O7 -","- Al6 B6 K6 O21 -","3","0.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0261","0.0226","","","0.0255","0.0259","","","","1.56","1.56","1.52","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000109","8.5592","0.0012","8.5592","0.0012","8.4485","0.0013","90","","90","","120","","536.01","0.13","123","","123","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Al2 B2 K2 O7 -","- Al2 B2 K2 O7 -","- Al6 B6 K6 O21 -","3","0.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0282","0.0228","","","0.0234","0.0241","","","","1.37","1.37","1.34","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000110","8.5852","0.0013","8.5852","0.0013","8.4855","0.0014","90","","90","","120","","541.64","0.15","173","","173","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Al2 B2 K2 O7 -","- Al2 B2 K2 O7 -","- Al6 B6 K6 O21 -","3","0.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0251","0.0215","","","0.0224","0.0229","","","","1.34","1.34","1.31","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000111","8.5683","0.0012","8.5683","0.0012","8.4633","0.0013","90","","90","","120","","538.1","0.13","223","","223","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Al2 B2 K2 O7 -","- Al2 B2 K2 O7 -","- Al6 B6 K6 O21 -","3","0.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0253","0.0214","","","0.0215","0.022","","","","1.25","1.25","1.22","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000112","8.5843","0.0009","8.5843","0.0009","8.486","0.002","90","","90","","120","","541.56","0.15","298","","298","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Al2 B2 K2 O7 -","- Al2 B2 K2 O7 -","- Al6 B6 K6 O21 -","3","0.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0269","0.0226","","","0.0231","0.0236","","","","1.32","1.32","1.27","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000113","8.5987","0.0013","8.5987","0.0013","8.5052","0.0015","90","","90","","120","","544.6","0.15","348","","348","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- Al2 B2 K2 O7 -","- Al2 B2 K2 O7 -","- Al6 B6 K6 O21 -","3","0.5","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0313","0.0252","","","0.0229","0.0237","","","","1.23","1.23","1.19","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000114","8.478","0.005","7.398","0.004","5.22","0.003","90","","90","","90","","327.4","0.3","98","","98","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0405","0.0285","","","0.0277","0.029","","","","1.49","1.49","1.39","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000115","8.4386","0.0011","7.3725","0.0016","5.1954","0.0019","90","","90","","90","","323.22","0.14","123","","123","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0323","0.0248","","","0.0235","0.0245","","","","1.33","1.33","1.26","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000116","8.4524","0.0012","7.3868","0.0018","5.202","0.002","90","","90","","90","","324.79","0.15","148","","148","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0394","0.0292","","","0.0289","0.0298","","","","1.53","1.53","1.4","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000117","8.4437","0.0013","7.377","0.0019","5.189","0.002","90","","90","","90","","323.22","0.16","173","","173","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0416","0.0262","","","0.0248","0.0265","","","","1.36","1.36","1.3","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000118","8.501","0.0012","7.4043","0.0018","5.211","0.002","90","","90","","90","","328","0.16","198","","198","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0373","0.0259","","","0.0235","0.0245","","","","1.23","1.23","1.14","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000119","8.446","0.0011","7.3749","0.0017","5.175","0.002","90","","90","","90","","322.34","0.15","223","","223","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0385","0.027","","","0.0255","0.0268","","","","1.34","1.34","1.25","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000120","8.4605","0.0011","7.3809","0.0016","5.1703","0.0019","90","","90","","90","","322.87","0.14","248","","248","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.047","0.0348","","","0.0343","0.0352","","","","1.72","1.72","1.54","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000121","8.4453","0.001","7.3653","0.0015","5.1564","0.0019","90","","90","","90","","320.74","0.14","273","","273","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0514","0.0365","","","0.0393","0.0401","","","","1.98","1.98","1.77","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000122","8.5109","0.0011","7.4112","0.0017","5.173","0.002","90","","90","","90","","326.29","0.15","298","","298","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- B3 Li O5 -","- B3 Li O5 -","- B12 Li4 O20 -","4","1","","Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav","Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations","Crystals","2017","7","3","93","","10.3390/cryst7030093","","x-ray","0.71073","MoKα","","0.0462","0.0321","","","0.033","0.034","","","","1.63","1.63","1.46","","","","has coordinates","265307","2021-05-18","16:36:58",""
"3000246","14.6356","0.001","3.81207","0.00015","11.2115","0.0007","90","","90","","90","","625.51","0.06","294","","294","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca3 H3.4 Si3 -","- Ca3 H3.4 Si3 -","- Ca12 H13.6 Si12 -","4","0.5","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","4.4","1.94","","","","","","","has coordinates","219316","2020-10-21","18:00:00",""
"3000247","4.5607","0.0006","10.8469","0.0012","3.9039","0.0005","90","","90","","90","","193.12","0.04","537","","537","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca D0.05 Si -","- Ca D0.047 Si -","- Ca4 D0.188 Si4 -","4","0.25","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.86829","neutron","","","","","","","","","8.06","1.65","","","","","","","has coordinates","219317","2020-10-21","18:00:00",""
"3000248","4.5391","0.0006","10.9521","0.0015","3.9028","0.0006","90","","90","","90","","194.02","0.05","529","","529","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca D0.09 Si -","- Ca D0.092 Si -","- Ca4 D0.368 Si4 -","4","0.25","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.86829","neutron","","","","","","","","","6.21","1.72","","","","","","","has coordinates","219318","2020-10-21","18:00:00",""
"3000249","4.5406","0.0006","10.943","0.0015","3.9036","0.0006","90","","90","","90","","193.96","0.05","537","","537","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca D0.1 Si -","- Ca D0.096 Si -","- Ca4 D0.384 Si4 -","4","0.25","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.86829","neutron","","","","","","","","","9.61","1.35","","","","","","","has coordinates","219319","2020-10-21","18:00:00",""
"3000250","4.5206","0.0007","11.0166","0.0014","3.9018","0.0005","90","","90","","90","","194.32","0.05","524","","524","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca D0.13 Si -","- Ca D0.126 Si -","- Ca4 D0.504 Si4 -","4","0.25","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.86829","neutron","","","","","","","","","6.45","2.19","","","","","","","has coordinates","219320","2020-10-21","18:00:00",""
"3000251","4.5227","0.0005","11.0069","0.001","3.9015","0.0004","90","","90","","90","","194.22","0.03","535","","535","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca D0.14 Si -","- Ca D0.137 Si -","- Ca4 D0.548 Si4 -","4","0.25","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.86829","neutron","","","","","","","","","5.67","2.18","","","","","","","has coordinates","219321","2020-10-21","18:00:00",""
"3000252","4.5184","0.0005","11.0248","0.001","3.9012","0.0003","90","","90","","90","","194.34","0.03","537","","537","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ca D0.17 Si -","- Ca D0.168 Si -","- Ca4 D0.672 Si4 -","4","0.25","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.86829","neutron","","","","","","","","","5.71","2.38","","","","","","","has coordinates","219322","2020-10-21","18:00:00",""
"3000253","14.579","0.004","3.8119","0.0004","11.209","0.002","90","","90","","90","","622.9","0.2","294","","294","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ca3 D3.23 Si3 -","- Ca3 D3.228 Si3 -","- Ca12 D12.912 Si12 -","4","0.5","","Auer, Henry; Yang, Fangshun; Playford, Helen Y.; Hansen, Thomas C.; Franz, Alexandra; Kohlmann, Holger","Covalent Si‒H Bonds in the Zintl Phase Hydride CaSiH1+x (x ≤ 1/3)","Inorganics","2019","7","9","106","","10.3390/inorganics7090106","powder diffraction","","1.7982","neutron","","","","","","","","","1.48","1.33","","","","","","","has coordinates","219323","2020-10-21","18:00:00",""
"4001724","4.5058","","4.5058","","15.4587","","90","","90","","90","","313.846","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Cs Fe0.72 Ag1.28 Te2","","- Ag1.28 Cs Fe0.72 Te2 -","- Ag1.28 Cs Fe0.72 Te2 -","- Ag2.56 Cs2 Fe1.44 Te4 -","2","0.0625","","Yglesias, R.A.; Guo, H.-Y.; Li, J.; Emge, T.J.","Cs Fex Ag2-x Te2 (x=0.72): the first quaternary iron telluride synthesized from molten salt","Chemistry of Materials (1,1989-)","1995","7","","599","601","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029732","6.8215","0.0001","13.434","0.0003","17.9267","0.0004","90","","90","","90","","1642.8","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O2 Si -","- C18 H22 O2 Si -","- C72 H88 O8 Si4 -","4","1","","Cho, Inhee; Meimetis, Labros; Belding, Lee; Katz, Michael J.; Dudding, Travis; Britton, Robert","Directed ortho,ortho'-dimetalation of hydrobenzoin: Rapid access to hydrobenzoin derivatives useful for asymmetric synthesis.","Beilstein journal of organic chemistry","2011","7","","1315","1322","10.3762/bjoc.7.154","","","0.71073","MoKα","","0.0427","0.0291","","0.0573","0.0342","0.0342","","","","","","0.7515","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029733","8.855","0.004","28.605","0.014","11.19","0.005","90","","96.194","0.007","90","","2818","2","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 O2 Si2 -","- C18 H22 O2 Si2 -","- C108 H132 O12 Si12 -","6","3","","Cho, Inhee; Meimetis, Labros; Belding, Lee; Katz, Michael J.; Dudding, Travis; Britton, Robert","Directed ortho,ortho'-dimetalation of hydrobenzoin: Rapid access to hydrobenzoin derivatives useful for asymmetric synthesis.","Beilstein journal of organic chemistry","2011","7","","1315","1322","10.3762/bjoc.7.154","","","0.71073","MoKα","","0.17","0.0346","","0.0663","0.0267","0.0267","","","","","","0.8073","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029738","8.806","0.0009","17.5089","0.0012","11.1635","0.0011","90","","111.693","0.012","90","","1599.3","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H52 N6 Na2 -","- C28 H52 N6 Na2 -","- C56 H104 N12 Na4 -","2","0.5","","Armstrong, David R.; Balloch, Liam; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; O'Hara, Charles T; Robertson, Stuart D.","Meta-metallation of N,N-dimethylaniline: Contrasting direct sodium-mediated zincation with indirect sodiation-dialkylzinc co-complexation.","Beilstein journal of organic chemistry","2011","7","","1234","1248","10.3762/bjoc.7.144","","","0.71073","MoKα","","0.085","0.0471","","","0.1052","0.1133","","","","","","0.905","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029739","9.3229","0.0002","20.0052","0.0004","26.2813","0.0006","86.732","0.002","82.721","0.002","87.247","0.002","4850.1","0.18","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H164 N13 Na3 Zn4 -","- C82 H164 N13 Na3 Zn4 -","- C164 H328 N26 Na6 Zn8 -","2","1","","Armstrong, David R.; Balloch, Liam; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; O'Hara, Charles T; Robertson, Stuart D.","Meta-metallation of N,N-dimethylaniline: Contrasting direct sodium-mediated zincation with indirect sodiation-dialkylzinc co-complexation.","Beilstein journal of organic chemistry","2011","7","","1234","1248","10.3762/bjoc.7.144","","","0.71073","MoKα","","0.0996","0.0413","","","0.0618","0.068","","","","","","0.809","","","","has coordinates,has disorder","178476","2020-10-21","18:00:00",""
"4029740","16.1371","0.0005","17.2078","0.0005","21.6306","0.0005","90","","90","","90","","6006.5","0.3","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H53 N4 Na Zn -","- C27 H53 N4 Na Zn -","- C216 H424 N32 Na8 Zn8 -","8","1","","Armstrong, David R.; Balloch, Liam; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; O'Hara, Charles T; Robertson, Stuart D.","Meta-metallation of N,N-dimethylaniline: Contrasting direct sodium-mediated zincation with indirect sodiation-dialkylzinc co-complexation.","Beilstein journal of organic chemistry","2011","7","","1234","1248","10.3762/bjoc.7.144","","","0.71073","MoKα","","0.0787","0.0371","","","0.0806","0.0853","","","","","","0.881","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029745","7.9547","0.0004","11.9678","0.0004","15.5015","0.0006","90","0","101.144","0.0021","90","0","1447.92","0.1","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Br4 O2 -","- C14 H10 Br4 O2 -","- C56 H40 Br16 O8 -","4","1","","Berkil Akar, Kiymet; Cakmak, Osman; Büyükgüngör, Orhan; Sahin, Ertan","Functionalization of anthracene: A selective route to brominated 1,4-anthraquinones.","Beilstein journal of organic chemistry","2011","7","","1036","1045","10.3762/bjoc.7.118","","x-ray","0.71073","MoKα","","0.1022","0.0686","","","0.0876","0.0952","","","","","","1.217","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029750","12.8322","0.0006","13.232","0.0007","11.1619","0.0005","90","","115.092","0.003","90","","1716.38","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Br4 O2 -","- C16 H14 Br4 O2 -","- C64 H56 Br16 O8 -","4","1","","Berkil Akar, Kiymet; Cakmak, Osman; Büyükgüngör, Orhan; Sahin, Ertan","Functionalization of anthracene: A selective route to brominated 1,4-anthraquinones.","Beilstein journal of organic chemistry","2011","7","","1036","1045","10.3762/bjoc.7.118","","","0.71073","MoKα","","0.0776","0.0484","","","0.0843","0.0931","","","","","","1.069","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4029756","9.2786","0.0007","25.5371","0.0019","10.1633","0.0007","90","","104.948","0.001","90","","2326.7","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H23 Au I N3 O3 -","- C24 H23 Au I N3 O3 -","- C96 H92 Au4 I4 N12 O12 -","4","2","","Liu, Lian-Jun; Wang, Feijun; Wang, Wenfeng; Zhao, Mei-Xin; Shi, Min","Synthesis of chiral mono(N-heterocyclic carbene) palladium and gold complexes with a 1,1'-biphenyl scaffold and their applications in catalysis.","Beilstein journal of organic chemistry","2011","7","","555","564","10.3762/bjoc.7.64","","","0.71073","MoKα","","0.0523","0.0478","","","0.1273","0.1296","","","","","","1","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029760","9.8872","0.0008","16.8643","0.0014","16.8744","0.0015","90","","100.713","0.002","90","","2764.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 I N3 O3 Pd -","- C27 H28 I N3 O3 Pd -","- C108 H112 I4 N12 O12 Pd4 -","4","1","","Liu, Lian-Jun; Wang, Feijun; Wang, Wenfeng; Zhao, Mei-Xin; Shi, Min","Synthesis of chiral mono(N-heterocyclic carbene) palladium and gold complexes with a 1,1'-biphenyl scaffold and their applications in catalysis.","Beilstein journal of organic chemistry","2011","7","","555","564","10.3762/bjoc.7.64","","","0.71073","MoKα","","0.078","0.0491","","","0.1007","0.1109","","","","","","0.936","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029765","22.9943","0.0004","6.7284","0.0001","23.2627","0.0004","90","","112.879","0.001","90","","3315.94","0.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N O3 -","- C20 H19 N O3 -","- C160 H152 N8 O24 -","8","2","","Sow, Boubacar; Bellavance, Gabriel; Barabé, Francis; Barriault, Louis","One-pot Diels-Alder cycloaddition/gold(I)-catalyzed 6-endo-dig cyclization for the synthesis of the complex bicyclo[3.3.1]alkenone framework.","Beilstein journal of organic chemistry","2011","7","","1007","1013","10.3762/bjoc.7.114","","","0.71073","MoKα","","0.0701","0.0423","","","0.0946","0.1064","","","","","","1.014","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029773","11.3537","0.0003","15.5301","0.0004","18.6701","0.0005","81.989","0.002","76.082","0.002","78.338","0.001","3115.09","0.14","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H97 N8 O6 P S -","- C63 H97 N8 O6 P S -","- C126 H194 N16 O12 P2 S2 -","2","1","","Makuc, Damjan; Hiscock, Jennifer R.; Light, Mark E.; Gale, Philip A.; Plavec, Janez","NMR studies of anion-induced conformational changes in diindolylureas and diindolylthioureas.","Beilstein journal of organic chemistry","2011","7","","1205","1214","10.3762/bjoc.7.140","","","0.71073","MoKα","","0.1427","0.0779","","","0.1773","0.2069","","","","","","1.03","","","","has coordinates,has disorder","301812","2025-08-19","20:48:34",""
"4029777","13.3991","0.0005","8.2341","0.0003","22.8014","0.0008","90","","96.356","0.002","90","","2500.2","0.16","120","2","120","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 O -","- C17 H14 O -","- C136 H112 O8 -","8","1","","Cadman, Christopher J.; Croft, Anna K.","Anion-π interactions influence pK(a) values.","Beilstein journal of organic chemistry","2011","7","","320","328","10.3762/bjoc.7.42","","","0.71073","MoKα","","0.0821","0.0553","","","0.1463","0.1638","","","","","","1.046","","","","has coordinates","178476","2020-10-21","18:00:00",""
"4029780","9.2883","0.0009","11.2794","0.0011","11.673","0.0012","62.356","0.001","89.008","0.001","89.893","0.001","1083.15","0.19","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 O8 -","- C26 H20 O8 -","- C52 H40 O16 -","2","1","","Arimura, Junya; Mizuta, Tsutomu; Hiraga, Yoshikazu; Abe, Manabu","Formation of macrocyclic lactones in the Paternò-Büchi dimerization reaction.","Beilstein journal of organic chemistry","2011","7","","265","269","10.3762/bjoc.7.35","","","0.71073","MoKα","","0.0389","0.0356","","","0.1021","0.106","","","","","","0.984","","","","has coordinates","301812","2025-08-19","20:48:34",""
"4031679","2.7277","","2.7277","","4.3204","","90","","90","","120","","27.839","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Re1.28 Ru0.72 -","- Re1.28 Ru0.72 -","- Re1.28 Ru0.72 -","1","0.0416667","","Savitskii, E.M.; Tylkina, M.A.; Polyakova, V.P.","Equilibrium diagram of alloys of the rhenium-ruthenium system","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","1962","7","","224","225","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4031680","4.913","","4.913","","4.913","","90","","90","","90","","118.588","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Mo3 Si -","- Mo3 Si -","- Mo6 Si2 -","2","0.0416667","","Savitskii, E.M.; Baron, V.V.; Gladyshevskii, E.I.; Efimov, Yu.V.","Molybdenum-silicon-vanadium system","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","1962","7","","573","578","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4031774","4.738","","4.738","","4.738","","90","","90","","90","","106.362","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","V3 Si","","- Si V3 -","- Si V3 -","- Si2 V6 -","2","0.0416667","","Savitskii, E.M.; Gladyshevskii, E.I.; Baron, V.V.; Efimov, Yu.V.","Molybdenum-silicon-vanadium system","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","1962","7","","573","578","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031799","24.84","","13.65","","12.91","","90","","90","","90","","4377.34","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","(Br Hg)2 Fe (C O)4","","- C4 Br2 Fe Hg2 O4 -","- C4 Br2 Fe Hg2 O4 -","- C64 Br32 Fe16 Hg32 O64 -","16","1","","Baird, H.W.; Dahl, L.F.","The crystal and molecular structure of (Br Hg)2 Fe (C O)4","Journal of Organometallic Chemistry","1967","7","","503","514","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4060358","48.05","0.01","6.381","0.001","14.63","0.003","90","","92.22","0.01","90","","4482.3","1.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","Canada-12","","","- C25 H33 N O3 -","- C25 H33 N O3 -","- C200 H264 N8 O24 -","8","2","","Xia, Wujiong; Scheffer, John R.; Botoshansky, Mark; Kaftory, Menahem","Photochemistry of 1-Isopropylcycloalkyl Aryl Ketones: Ring Size Effects, Medium Effects, and Asymmetric Induction","Organic Letters","2005","7","7","1315","1318","10.1021/ol050104k","","","","","","","","","","","","","","","","","","","","","has coordinates","301829","2025-08-20","12:17:33",""
"4060359","13.807","0.003","6.34","0.001","26.961","0.005","90","","90","","90","","2360.1","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Canada-11 XW-168","","","- C26 H35 N O3 -","- C26 H35 N O3 -","- C104 H140 N4 O12 -","4","1","","Xia, Wujiong; Scheffer, John R.; Botoshansky, Mark; Kaftory, Menahem","Photochemistry of 1-Isopropylcycloalkyl Aryl Ketones: Ring Size Effects, Medium Effects, and Asymmetric Induction","Organic Letters","2005","7","7","1315","1318","10.1021/ol050104k","","","","","","","","","","","","","","","","","","","","","has coordinates","301829","2025-08-20","12:17:33",""
"4060360","6.279","0.001","8.183","0.002","16.506","0.003","76.9","0.02","81.73","0.02","68.4","0.02","766.3","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","XW-174-2","","","- C17 H22 O3 -","- C17 H22 O3 -","- C34 H44 O6 -","2","1","","Xia, Wujiong; Scheffer, John R.; Botoshansky, Mark; Kaftory, Menahem","Photochemistry of 1-Isopropylcycloalkyl Aryl Ketones: Ring Size Effects, Medium Effects, and Asymmetric Induction","Organic Letters","2005","7","7","1315","1318","10.1021/ol050104k","","","","","","","","","","","","","","","","","","","","","has coordinates","301829","2025-08-20","12:17:33",""
"4060361","14.05","0.003","6.38","0.001","14.914","0.003","90","","111.01","0.02","90","","1248","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H37 N O3 -","- C27 H37 N O3 -","- C54 H74 N2 O6 -","2","1","","Xia, Wujiong; Scheffer, John R.; Botoshansky, Mark; Kaftory, Menahem","Photochemistry of 1-Isopropylcycloalkyl Aryl Ketones: Ring Size Effects, Medium Effects, and Asymmetric Induction","Organic Letters","2005","7","7","1315","1318","10.1021/ol050104k","","","","","","","","","","","","","","","","","","","","","has coordinates","301829","2025-08-20","12:17:33",""
"4086324","13.275","","13.033","","11.593","","90","","90.435","","90","","2005.68","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(C O)14 Os4","","- C14 O14 Os4 -","- C14 O14 Os4 -","- C56 O56 Os16 -","4","0.5","","Johnston, V.J.; Einstein, F.W.B.; Pomeroy, R.K.","The new binary carbonyl Os4(CO)14: An example of carbonyl exchange on the infrared time scale?","Organometallics","1988","7","","1867","1869","","","","","","","","","","","","","","","","","","","","","","has coordinates","169378","2020-10-21","18:00:00",""
"4331404","13.2936","","6.359","","12.401","","90","","122.118","","90","","887.868","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","K2 Ag2 (Ge S4)","","- Ag2 Ge K2 S4 -","- Ag2 Ge K2 S4 -","- Ag8 Ge4 K8 S16 -","4","0.5","","Ning, G.; An, Y.; Baiyin, M.; Ji, M.; Liu, X.; Jia, C.","A solvothermal synthesis and structure of K2 Ag2 Ge S4 with the simplest helical chains","Inorganic Chemistry Communications","2004","7","","114","116","10.1016/j.inoche.2003.10.014","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331405","7.4742","","22.116","","6.2902","","90","","115.518","","90","","938.337","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Rb2 Ag2 Ge S4","","- Ag2 Ge Rb2 S4 -","- Ag2 Ge Rb2 S4 -","- Ag8 Ge4 Rb8 S16 -","4","0.5","","Liu, X.; Ji, M.; Ning, G.; An, Y.; Jia, C.; Baiyin, M.","A solvothermal synthesis and structure of K2 Ag2 Ge S4 with the simplest helical chains","Inorganic Chemistry Communications","2004","7","","114","116","10.1016/j.inoche.2003.10.014","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4343604","7.633","","7.633","","7.633","","90","","90","","90","","444.719","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Pt2 Pu -","- Pt2 Pu -","- Pt16 Pu8 -","8","0.0416667","","Erdman, B.; Keller, C.","The preparation of actinide (+ zirconium and hafnium)- noble metal alloy phases by coupled reductions","Inorganic and Nuclear Chemistry Letters","1971","7","","675","683","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4343634","7.243","","7.243","","7.243","","90","","90","","90","","379.975","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Ni4 (Pr Y)","","- Ni4 Pr Y -","- Ni4 Pr Y -","- Ni16 Pr4 Y4 -","4","0.0208333","","Wallace, P.E.; Mader, K.H.","Magnetic characteristics of Prx Y1-x Ni2 alloys and the nature of Pr Ni2 at low temperatures","Inorganic Chemistry","1968","7","","1627","1629","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343685","22.24","","22.24","","22.24","","90","","90","","90","","11000.3","","","","","","","","","","","","","5","F d -3 c :2","-F 4ud 2vw 3","228","","(Cr (N H3)6) (Cu Cl5)","","- Cl5 Cr Cu H18 N6 -","- Cl5 Cr Cu H18 N6 -","- Cl160 Cr32 Cu32 H576 N192 -","32","0.166667","","Raymond, K.N.; Meek, D.W.; Ibers, J.A.","The structure of hexaamminechromium(III) pentachlorocuprate(II), (Cr (N H3)6) (Cu Cl5)","Inorganic Chemistry","1968","7","","1111","1117","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344190","9.234","","11.309","","8.799","","90","","110.25","","90","","862.063","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Re3 I9","","- I9 Re3 -","- I9 Re3 -","- I18 Re6 -","2","0.5","","Bennett, M.J.; Cotton, F.A.; Foxman, B.M.","The Crystal and Molecular Structure of Trirhenium Nonaiodide","Inorganic Chemistry","1968","7","","1563","1569","","","","","","","","","","","","","","","","","","","","","","has coordinates","160792","2020-10-21","18:00:00",""
"4344265","12.568","","12.719","","18.676","","87.3","","79.9","","82.38","","2912.31","","","","","","","","","","","","","7","P 1","P 1","1","","K3 ((Pr (H2 O)4 Si W11 O39) (Na Pr2 (H2 O)12) (Pr (H2 O)4 Si W11 O39)) (H2 O)13.5","","- H67 K3 Na O111.5 Pr4 Si2 W22 -","- K3 Na O111.5 Pr4 Si2 W22 -","- K3 Na O111.5 Pr4 Si2 W22 -","1","1","","Niu, J.-Y.; Zhao, J.-W.; Wang, J.-P.","Synthesis, crystal structure and characterization of a praseodymium (III)-substituted silicotungstate with a novel 1D chain connection motif","Inorganic Chemistry Communications","2004","7","","876","879","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344274","8.5743","","10.9256","","5.5985","","90","","102.984","","90","","511.055","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Na Sb Mo O5","","- Mo Na O5 Sb -","- Mo Na O5 Sb -","- Mo4 Na4 O20 Sb4 -","4","1","","Wang, Y.; Zhang, H.; Yu, X.; Huang, C.; Sun, Q.","Synthesis, structure and spectral properties of a novel molybdoantimonate Na Sb Mo O5","Inorganic Chemistry Communications","2004","7","","21","23","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344280","4.5409","","12.65","","6.9879","","90","","106.184","","90","","385.495","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","La (O H) (S O4)","","- H La O5 S -","- La O5 S -","- La4 O20 S4 -","4","1","","Zhang, Q.; Lu, C.; Yang, W.; Chen, S.; Yu, Y.","Hydrothermal syntheses and crystal structures of two lanthanum compounds La(OH)SO4 and LaO(NO3)","Inorganic Chemistry Communications","2004","7","","889","892","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344281","7.411","","5.0498","","8.588","","90","","90","","90","","321.398","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","La (O H) (N O3)","","- H La N O4 -","- La N O4 -","- La4 N4 O16 -","4","0.5","","Zhang, Q.; Lu, C.; Yang, W.; Chen, S.; Yu, Y.","Hydrothermal syntheses and crystal structures of two lanthanum compounds La (O H) S O4 and La O (N O3)","Inorganic Chemistry Communications","2004","7","","889","892","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344913","2.868","0.005","2.868","0.005","15.88","0.01","90","","90","","120","","113.1","0.3","","","","","","","","","","","","3","R -3 m","-R 3 2""","166","NaAlO2 high-pressure form","","","- Al Na O2 -","- Al Na O2 -","- Al3 Na3 O6 -","3","","","Reid, A.F.; Ringwood, A.E.","High-pressure NaAlO2, and alpha-NaFeO2 isotype","Inorganic Chemistry","1968","7","","443","445","","","","","","","","","","","","","","","","","","","","","","has coordinates","187611","2020-10-21","18:00:00",""
"4344922","29.2649","0.0004","7.8975","0.0001","42.5654","0.0007","90","","90","","90","","9837.7","0.2","100","0.3","100","0.3","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C35 H33 N O9 Zn -","- C35 H33 N O9 Zn -","- C280 H264 N8 O72 Zn8 -","8","1","","Li, Wei-Jin; Liu, Juan; Sun, Zhi-Hua; Liu, Tian-Fu; Lü, Jian; Gao, Shui-Ying; He, Chao; Cao, Rong; Luo, Jun-Hua","Integration of metal-organic frameworks into an electrochemical dielectric thin film for electronic applications","Nature Communications","2016","7","15","11830","","10.1038/ncomms11830","","","1.54184","CuKα","","0.0809","0.0697","","","0.2013","0.2105","","","","","","1.084","","","","has coordinates","189228","2020-10-21","18:00:00",""
"4503888","14.711","0.003","7.8183","0.0012","14.539","0.003","90","","90","","90","","1672.2","0.5","295","2","295","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","[2ClPy]2[CuCl4]","","","- C10 H10 Cl6 Cu N2 -","- C10 H10 Cl6 Cu N2 -","- C40 H40 Cl24 Cu4 N8 -","4","0.5","","Awwadi, Firas F.; Willett, Roger D.; Twamley, Brendan","The Aryl Chlorine−Halide Ion Synthon and Its Role in the Control of the Crystal Structures of Tetrahalocuprate(II) Ions","Crystal Growth & Design","2007","7","4","624","","10.1021/cg060153j","","","0.71073","MoKα","","0.1185","0.0581","","","0.1104","0.1341","","","","","","1.031","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503889","15.065","0.0012","9.0869","0.0007","14.4778","0.0011","90","","117.967","0.001","90","","1750.5","0.2","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[2ClPy]2[CuBr4]","","","- C10 H10 Br4 Cl2 Cu N2 -","- C10 H10 Br4 Cl2 Cu N2 -","- C40 H40 Br16 Cl8 Cu4 N8 -","4","1","","Awwadi, Firas F.; Willett, Roger D.; Twamley, Brendan","The Aryl Chlorine−Halide Ion Synthon and Its Role in the Control of the Crystal Structures of Tetrahalocuprate(II) Ions","Crystal Growth & Design","2007","7","4","624","","10.1021/cg060153j","","","0.71073","MoKα","","0.0313","0.024","","","0.0567","0.0595","","","","","","1.029","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503890","6.9797","0.0014","9.534","0.002","14.017","0.003","99.49","0.02","90.77","0.02","93.85","0.02","917.6","0.3","295","2","295","2","","","","","","","","7","P -1","-P 1","2","[3ClPy]2[CuBr4] + H2O","","","- C10 H12 Br4 Cl2 Cu N2 O -","- C10 H12 Br4 Cl2 Cu N2 O -","- C20 H24 Br8 Cl4 Cu2 N4 O2 -","2","1","","Awwadi, Firas F.; Willett, Roger D.; Twamley, Brendan","The Aryl Chlorine−Halide Ion Synthon and Its Role in the Control of the Crystal Structures of Tetrahalocuprate(II) Ions","Crystal Growth & Design","2007","7","4","624","","10.1021/cg060153j","","","0.71073","MoKα","","0.107","0.0593","","","0.1166","0.1358","","","","","","1.021","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503891","7.3132","0.0011","7.7748","0.0016","15.489","0.003","81.657","0.014","79.763","0.012","69.285","0.013","807.4","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","[3ClPy]2[CuCl4]","","","- C10 H10 Cl6 Cu N2 -","- C10 H10 Cl6 Cu N2 -","- C20 H20 Cl12 Cu2 N4 -","2","1","","Awwadi, Firas F.; Willett, Roger D.; Twamley, Brendan","The Aryl Chlorine−Halide Ion Synthon and Its Role in the Control of the Crystal Structures of Tetrahalocuprate(II) Ions","Crystal Growth & Design","2007","7","4","624","","10.1021/cg060153j","","","0.71073","MoKα","","0.0504","0.0375","","","0.0876","0.0966","","","","","","1.063","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503892","17.01","0.002","7.6734","0.0009","13.8038","0.0017","90","","98.446","0.01","90","","1782.2","0.4","295","2","295","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[4ClPy]2[CuBr4]","","","- C10 H10 Br4 Cl2 Cu N2 -","- C10 H10 Br4 Cl2 Cu N2 -","- C40 H40 Br16 Cl8 Cu4 N8 -","4","0.5","","Awwadi, Firas F.; Willett, Roger D.; Twamley, Brendan","The Aryl Chlorine−Halide Ion Synthon and Its Role in the Control of the Crystal Structures of Tetrahalocuprate(II) Ions","Crystal Growth & Design","2007","7","4","624","","10.1021/cg060153j","","","0.71073","MoKα","","0.0757","0.0461","","","0.1142","0.1379","","","","","","1.065","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503893","7.6729","0.0018","27.637","0.007","8.7277","0.0014","90","","115.792","0.014","90","","1666.4","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[4ClPy]2[CuCL4] polymorph 1","","","- C10 H10 Cl6 Cu N2 -","- C10 H10 Cl6 Cu N2 -","- C40 H40 Cl24 Cu4 N8 -","4","1","","Awwadi, Firas F.; Willett, Roger D.; Twamley, Brendan","The Aryl Chlorine−Halide Ion Synthon and Its Role in the Control of the Crystal Structures of Tetrahalocuprate(II) Ions","Crystal Growth & Design","2007","7","4","624","","10.1021/cg060153j","","","0.71073","MoKα","","0.0875","0.0499","","","0.1006","0.1151","","","","","","1.008","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503894","16.297","0.004","7.4692","0.0015","13.738","0.003","90","","98.78","0.03","90","","1652.7","0.7","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","[4-ClPy][CuCl4] polymorph 2","","","- C10 H10 Cl6 Cu N2 -","- C10 H10 Cl6 Cu N2 -","- C40 H40 Cl24 Cu4 N8 -","4","0.5","","Awwadi, Firas F.; Willett, Roger D.; Twamley, Brendan","The Aryl Chlorine−Halide Ion Synthon and Its Role in the Control of the Crystal Structures of Tetrahalocuprate(II) Ions","Crystal Growth & Design","2007","7","4","624","","10.1021/cg060153j","","","0.71073","MoKα","","0.0577","0.0389","","","0.0895","0.099","","","","","","1.039","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503895","55.83","0.03","5.559","0.003","9.734","0.002","90","","100.042","0.006","90","","2975","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","RS-atenolol","","- C14 H22 N2 O3 -","- C14 H22 N2 O3 -","- C112 H176 N16 O24 -","8","1","","Esteves de Castro, R. A.; Canotilho, João; Barbosa, Rui M.; Silva, M. Ramos; Beja, A. Matos; Paixão, J. A.; Redinha, J. Simões","Conformational Isomorphism of Organic Crystals: Racemic and Homochiral Atenolol","Crystal Growth & Design","2007","7","3","496","","10.1021/cg0601857","","","1.5418","CuKα","","0.1505","0.1296","","","0.3867","0.4145","","","","","","1.803","","","","has coordinates,has disorder","301842","2025-08-21","00:37:13",""
"4503896","54.43","0.03","5.712","0.003","9.676","0.002","90","","99.51","0.006","90","","2967","2","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","S-atenolol","","- C28 H44 N4 O6 -","- C28 H38 N4 O6 -","- C112 H152 N16 O24 -","4","1","","Esteves de Castro, R. A.; Canotilho, João; Barbosa, Rui M.; Silva, M. Ramos; Beja, A. Matos; Paixão, J. A.; Redinha, J. Simões","Conformational Isomorphism of Organic Crystals: Racemic and Homochiral Atenolol","Crystal Growth & Design","2007","7","3","496","","10.1021/cg0601857","","","1.5418","CuKα","","0.099","0.0746","","","0.1891","0.2097","","","","","","1.055","","","","has coordinates,has disorder","179573","2020-10-21","18:00:00",""
"4503897","13.435","0.003","16","0.004","14.127","0.003","90","","95.479","0.004","90","","3022.9","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H56 Cd3 N12 O16 S2 -","- C56 H56 Cd3 N12 O16 S2 -","- C112 H112 Cd6 N24 O32 S4 -","2","0.5","","Lu, Zhenda; Wen, Lili; Ni, Zhaoping; Li, Yizhi; Zhu, Huizhen; Meng, Qingjin","Syntheses, Structures, and Photoluminescent and Magnetic Studies of Metal−Organic Frameworks Assembled with 5-Sulfosalicylic Acid and 1,4-Bis(imidazol-1-ylmethyl)-benzene","Crystal Growth & Design","2007","7","2","268","","10.1021/cg060287x","","","0.71073","MoKα","","0.0486","0.0353","","","0.0812","0.085","","","","","","1.016","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503898","24.7921","0.0011","16.7848","0.0011","18.9685","0.001","90","","116.37","0.001","90","","7072","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H36 Co N8 O8 S -","- C35 H36 Co N8 O8 S -","- C280 H288 Co8 N64 O64 S8 -","8","1","","Lu, Zhenda; Wen, Lili; Ni, Zhaoping; Li, Yizhi; Zhu, Huizhen; Meng, Qingjin","Syntheses, Structures, and Photoluminescent and Magnetic Studies of Metal−Organic Frameworks Assembled with 5-Sulfosalicylic Acid and 1,4-Bis(imidazol-1-ylmethyl)-benzene","Crystal Growth & Design","2007","7","2","268","","10.1021/cg060287x","","","0.71073","MoKα","","0.0649","0.0449","","","0.1341","0.1459","","","","","","1.058","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503899","24.6836","0.0016","16.73","0.001","18.9155","0.001","90","","116.116","0.002","90","","7013.8","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H36 N8 Ni O8 S -","- C35 H36 N8 Ni O8 S -","- C280 H288 N64 Ni8 O64 S8 -","8","1","","Lu, Zhenda; Wen, Lili; Ni, Zhaoping; Li, Yizhi; Zhu, Huizhen; Meng, Qingjin","Syntheses, Structures, and Photoluminescent and Magnetic Studies of Metal−Organic Frameworks Assembled with 5-Sulfosalicylic Acid and 1,4-Bis(imidazol-1-ylmethyl)-benzene","Crystal Growth & Design","2007","7","2","268","","10.1021/cg060287x","","","0.71073","MoKα","","0.0945","0.0464","","","0.0722","0.0797","","","","","","1.02","","","","has coordinates","179573","2020-10-21","18:00:00",""
"4503900","13.4986","0.0011","12.4995","0.001","23.7889","0.0016","90","0.002","117.259","0.004","90","0.002","3568","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 Mn N8 O8 S -","- C35 H36 Mn N8 O8 S -","- C140 H144 Mn4 N32 O32 S4 -","4","1","","Lu, Zhenda; Wen, Lili; Ni, Zhaoping; Li, Yizhi; Zhu, Huizhen; Meng, Qingjin","Syntheses, Structures, and Photoluminescent and Magnetic Studies of Metal−Organic Frameworks Assembled with 5-Sulfosalicylic Acid and 1,4-Bis(imidazol-1-ylmethyl)-benzene","Crystal Growth & Design","2007","7","2","268","","10.1021/cg060287x","","","0.71073","MoKα","","0.091","0.0616","","","0.1295","0.1358","","","","","","1.028","","","","has coordinates,has disorder","179574","2020-10-21","18:00:00",""
"4503901","11.5352","0.001","23.39","0.002","25.239","0.002","90","","98.423","0.002","90","","6736.2","1","292","2","292","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Tetrakis[2,5-bis(4-methoxyphenyl)-1,3,4-oxadiazole-C~2~,N](u-dichloro) diiridium (III) dichloromethane solvate","","- C66 H56 Cl6 Ir2 N8 O12 -","- C66 H56 Cl6 Ir2 N8 O12 -","- C264 H224 Cl24 Ir8 N32 O48 -","4","0.5","","Chen, Lianqing; Yang, Chuluo; Li, Ming; Qin, Jingui; Gao, Jia; You, Han; Ma, Dongge","Supramolecular Architectures, Photophysics, and Electroluminescence of 1,3,4-Oxadiazole-Based Iridium(III) Complexes: From μ-Dichloro Bridged Dimer to Mononuclear Complexes","Crystal Growth & Design","2007","7","1","39","","10.1021/cg060323s","","","0.71073","MoKα","","0.0711","0.0467","","","0.1113","0.1238","","","","","","1.018","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4503902","10.271","0.0008","13.3034","0.001","14.1672","0.0011","92.396","0.001","108.366","0.001","98.271","0.001","1810.2","0.2","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","Bis(2, 5-di-p-tolyl-1, 3, 4-oxadiazolyl-C2,N)iridium (acetylacetonate)","","- C38 H35 Cl2 Ir N4 O4 -","- C38 H35 Cl2 Ir N4 O4 -","- C76 H70 Cl4 Ir2 N8 O8 -","2","1","","Chen, Lianqing; Yang, Chuluo; Li, Ming; Qin, Jingui; Gao, Jia; You, Han; Ma, Dongge","Supramolecular Architectures, Photophysics, and Electroluminescence of 1,3,4-Oxadiazole-Based Iridium(III) Complexes: From μ-Dichloro Bridged Dimer to Mononuclear Complexes","Crystal Growth & Design","2007","7","1","39","","10.1021/cg060323s","","","0.71073","MoKα","","0.0479","0.0392","","","0.0698","0.0716","","","","","","1.119","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503903","11.943","0.002","11.978","0.002","13.793","0.003","70.35","0.03","75.84","0.03","89.6","0.03","1795.6","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","Bis(2,5-di-p-tolyl-1,3,4-oxadiazolyl-C2,N)iridium(O,O'-diethyldithiophosphate)","","- C36 H36 Ir N4 O4 P S2 -","- C36 H36 Ir N4 O4 P S2 -","- C72 H72 Ir2 N8 O8 P2 S4 -","2","1","","Chen, Lianqing; Yang, Chuluo; Li, Ming; Qin, Jingui; Gao, Jia; You, Han; Ma, Dongge","Supramolecular Architectures, Photophysics, and Electroluminescence of 1,3,4-Oxadiazole-Based Iridium(III) Complexes: From μ-Dichloro Bridged Dimer to Mononuclear Complexes","Crystal Growth & Design","2007","7","1","39","","10.1021/cg060323s","","","0.71073","MoKα","","0.041","0.0308","","","0.0752","0.0853","","","","","","1.095","","","","has coordinates,has disorder","194588","2020-10-21","18:00:00",""
"4503904","13.2095","0.0018","16.274","0.002","19.153","0.003","96.262","0.002","99.371","0.002","102.316","0.002","3924.5","0.9","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","Bis(2,5-di-p-tolyl-1,3,4-oxadiazolyl-C2,N)iridium(N,N'-diethyldithiocarbamate)","","- C37 H36 Ir N5 O2 S2 -","- C44 H43 Ir N10 O4 S2 -","- C88 H86 Ir2 N20 O8 S4 -","2","1","","Chen, Lianqing; Yang, Chuluo; Li, Ming; Qin, Jingui; Gao, Jia; You, Han; Ma, Dongge","Supramolecular Architectures, Photophysics, and Electroluminescence of 1,3,4-Oxadiazole-Based Iridium(III) Complexes: From μ-Dichloro Bridged Dimer to Mononuclear Complexes","Crystal Growth & Design","2007","7","1","39","","10.1021/cg060323s","","","0.71073","MoKα","","0.1037","0.0887","","","0.2481","0.2555","","","","","","1.19","","","","has coordinates","194588","2020-10-21","18:00:00",""
"4503905","6.8912","0.0011","12.0507","0.0018","21.879","0.003","90","","90.762","0.002","90","","1816.8","0.5","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 F3 O7 S -","- C18 H17 F3 O7 S -","- C72 H68 F12 O28 S4 -","4","1","","Beer, Leanne; Mandal, Swadhin K.; Reed, Robert W.; Oakley, Richard T.; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.","The First Electronically Stabilized Phenalenyl Radical: Effect of Substituents on Solution Chemistry and Solid-State Structure","Crystal Growth & Design","2007","7","4","802","","10.1021/cg0603366","","","0.71073","MoKα","","0.059","0.0456","","","0.1159","0.1245","","","","","","1.036","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503906","6.8413","0.0007","22.006","0.002","12.6487","0.0013","90","","93.252","0.002","90","","1901.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H19 F3 O7 S -","- C19 H19 F3 O7 S -","- C76 H76 F12 O28 S4 -","4","2","","Beer, Leanne; Mandal, Swadhin K.; Reed, Robert W.; Oakley, Richard T.; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.","The First Electronically Stabilized Phenalenyl Radical: Effect of Substituents on Solution Chemistry and Solid-State Structure","Crystal Growth & Design","2007","7","4","802","","10.1021/cg0603366","","","0.71073","MoKα","","0.0549","0.0501","","","0.1335","0.1378","","","","","","1.059","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503907","8.0527","0.0002","10.8005","0.0003","11.1201","0.0003","90","","103.076","0.001","90","","942.07","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 S2 -","- C13 H7 S2 -","- C52 H28 S8 -","4","1","","Beer, Leanne; Mandal, Swadhin K.; Reed, Robert W.; Oakley, Richard T.; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.","The First Electronically Stabilized Phenalenyl Radical: Effect of Substituents on Solution Chemistry and Solid-State Structure","Crystal Growth & Design","2007","7","4","802","","10.1021/cg0603366","","","0.71073","MoKα","","0.0309","0.0268","","","0.0812","0.0836","","","","","","1.021","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503908","6.8553","0.0003","20.9286","0.0008","11.2302","0.0004","90","","90.228","0.001","90","","1611.2","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 O2 P S4 -","- C15 H13 O2 P S4 -","- C60 H52 O8 P4 S16 -","4","1","","Beer, Leanne; Mandal, Swadhin K.; Reed, Robert W.; Oakley, Richard T.; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.","The First Electronically Stabilized Phenalenyl Radical: Effect of Substituents on Solution Chemistry and Solid-State Structure","Crystal Growth & Design","2007","7","4","802","","10.1021/cg0603366","","","0.71073","MoKα","","0.0513","0.0369","","","0.0901","0.0952","","","","","","1.054","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503909","11.9301","0.0016","7.9101","0.0011","14.804","0.002","90","","97.731","0.003","90","","1384.3","0.3","90","2","90","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O4 -","- C18 H16 O4 -","- C72 H64 O16 -","4","1","","Beer, Leanne; Mandal, Swadhin K.; Reed, Robert W.; Oakley, Richard T.; Tham, Fook S.; Donnadieu, Bruno; Haddon, Robert C.","The First Electronically Stabilized Phenalenyl Radical: Effect of Substituents on Solution Chemistry and Solid-State Structure","Crystal Growth & Design","2007","7","4","802","","10.1021/cg0603366","","","0.71073","MoKα","","0.0895","0.0699","","","0.1915","0.2129","","","","","","1.035","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503910","9.396","0.009","10.455","0.01","14.612","0.014","70.716","0.012","85.627","0.012","76.076","0.012","1315","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 Co N5 O5.5 -","- C29 H21 Co N5 O5.5 -","- C58 H42 Co2 N10 O11 -","2","1","","Zhou, LiJun; Wang, YaoYu; Zhou, CaiHua; Wang, CuiJuan; Shi, QiZhen; Peng, ShieMing","From Hydrogen-Bonded Net-to-Net Framework to Twofold Interpenetrated (4,6) Net: Effect of Ligand Topology on the Supramolecular Structural Diversity","Crystal Growth & Design","2007","7","2","300","","10.1021/cg060369l","","","0.71073","MoKα","","0.0978","0.0636","","","0.1502","0.1749","","","","","","1.054","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4503911","8.8772","0.0003","8.9431","0.0003","15.5173","0.0004","100.03","0.002","90.082","0.002","112.987","0.002","1113.48","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 Co N3 O5 -","- C26 H19 Co N3 O5 -","- C52 H38 Co2 N6 O10 -","2","1","","Zhou, LiJun; Wang, YaoYu; Zhou, CaiHua; Wang, CuiJuan; Shi, QiZhen; Peng, ShieMing","From Hydrogen-Bonded Net-to-Net Framework to Twofold Interpenetrated (4,6) Net: Effect of Ligand Topology on the Supramolecular Structural Diversity","Crystal Growth & Design","2007","7","2","300","","10.1021/cg060369l","","","0.71073","MoKα","","0.0495","0.0368","","","0.086","0.0916","","","","","","1.067","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503912","17.999","0.01","8.518","0.005","10.203","0.006","90","","90","","90","","1564.3","1.6","298","2","298","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C12 H8 Cu2 N4 S3 -","- C12 H8 Cu2 N4 S3 -","- C48 H32 Cu8 N16 S12 -","4","0.5","","Hao, Zheng-Ming; Zhang, Xian-Ming","Ligand Concentration Controlled Supramolecular Isomerism in Two CuSCN Based Coordination Polymers with in Situ Synthesized 4,4‘-Dipyridylsulfide as a Co-Ligand","Crystal Growth & Design","2007","7","1","64","","10.1021/cg060371c","","","0.71073","MoKα","","0.0987","0.0635","","","0.1413","0.1836","","","","","","1.08","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503913","9.2011","0.0017","5.7246","0.001","14.876","0.003","90","","104.855","0.003","90","","757.4","0.2","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C12 H8 Cu2 N4 S3 -","- C12 H8 Cu2 N4 S3 -","- C24 H16 Cu4 N8 S6 -","2","0.5","","Hao, Zheng-Ming; Zhang, Xian-Ming","Ligand Concentration Controlled Supramolecular Isomerism in Two CuSCN Based Coordination Polymers with in Situ Synthesized 4,4‘-Dipyridylsulfide as a Co-Ligand","Crystal Growth & Design","2007","7","1","64","","10.1021/cg060371c","","","0.71073","MoKα","","0.1191","0.0716","","","0.1711","0.1961","","","","","","0.95","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503914","5.7941","0.0005","13.0175","0.0014","13.6171","0.0015","90","","90","","90","","1027.07","0.18","120","2","","","","","","","","","","4","P b c 21","P 2c -2b","29","β-2-Salicylideneaniline","2-(Phenyliminomethyl)phenol","","- C13 H11 N O -","- C13 H11 N O -","- C52 H44 N4 O4 -","4","1","","Arod, Frédéric; Pattison, Philip; Schenk, Kurt J.; Chapuis, Gervais","Polymorphism inN-Salicylideneaniline Reconsidered","Crystal Growth & Design","2007","7","9","1679","","10.1021/cg060389n","","x-ray","0.75","synchrotron","","0.0512","0.0426","","","0.1018","0.1264","","","","","","1.156","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503915","5.9183","0.0015","7.1869","0.0016","14.295","0.003","85.13","0.019","78.03","0.02","65.8","0.02","542.5","0.2","120","2","","","","","","","","","","4","P 1","P 1","1","α~1~-Salicylideneaniline","2-(Phenyliminomethyl)phenol","","- C13 H11 N O -","- C13 H11 N O -","- C26 H22 N2 O2 -","2","2","","Arod, Frédéric; Pattison, Philip; Schenk, Kurt J.; Chapuis, Gervais","Polymorphism inN-Salicylideneaniline Reconsidered","Crystal Growth & Design","2007","7","9","1679","","10.1021/cg060389n","","x-ray","0.7256","synchrotron","","0.1245","0.0607","","0.0714","0.0634","0.0634","","","","","","1.3627","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503916","21.8982","0.0006","27.3098","0.0007","20.1293","0.0005","90","","90","","90","","12038","0.5","90","2","90","2","","","","","","","","4","P n a 21","P 2c -2n","33","Hexachloroazatriquinacene - 3C70 - 3PhCl","","","- C237 H18 Cl9 N -","- C237 H18 Cl9 N -","- C948 H72 Cl36 N4 -","4","1","","Pham, David; Ceron-Bertran, Jordi; Olmstead, Marilyn M.; Mascal, Mark; Balch, Alan L.","Ordered Crystals of Fullerenes Produced by Cocrystallization with Halogenated Azatriquinacenes","Crystal Growth & Design","2007","7","1","75","","10.1021/cg060438w","","","0.71073","MoKα","","0.0373","0.0339","","","0.0826","0.0856","","","","","","0.93","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503917","13.574","0.003","15.592","0.003","21.473","0.004","90","","90","","90","","4544.7","1.6","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,4,7-Tribromo-2,3,5,6,8,9-hexachloroazatriquinacene * C70","","","- C79 Br3 Cl6 N -","- C79 Br3 Cl6 N -","- C316 Br12 Cl24 N4 -","4","1","","Pham, David; Ceron-Bertran, Jordi; Olmstead, Marilyn M.; Mascal, Mark; Balch, Alan L.","Ordered Crystals of Fullerenes Produced by Cocrystallization with Halogenated Azatriquinacenes","Crystal Growth & Design","2007","7","1","75","","10.1021/cg060438w","","","0.71073","MoKα","","0.0464","0.0353","","","0.0797","0.084","","","","","","1.03","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503918","10.1657","0.0013","15.399","0.002","26.177","0.003","90","","99.566","0.003","90","","4040.8","0.9","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C60-TBHCA","","","- C69 Br3 Cl6 N -","- C69 Br3 Cl6 N -","- C276 Br12 Cl24 N4 -","4","1","","Pham, David; Ceron-Bertran, Jordi; Olmstead, Marilyn M.; Mascal, Mark; Balch, Alan L.","Ordered Crystals of Fullerenes Produced by Cocrystallization with Halogenated Azatriquinacenes","Crystal Growth & Design","2007","7","1","75","","10.1021/cg060438w","","","0.71073","MoKα","","0.0822","0.0663","","","0.1813","0.1882","","","","","","1.028","","","","has coordinates,has disorder","179574","2020-10-21","18:00:00",""
"4503919","21.9952","0.001","10.1725","0.0005","7.6396","0.0003","90","","97.608","0.003","90","","1694.28","0.13","123","2","123","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","Compound 1 DCBCDH","","","- C12.6 H10.6 Cd N5 O0.2 S2 -","- C12 H9 Cd N5 S2 -","- C48 H36 Cd4 N20 S8 -","4","0.5","","Cordes, David B.; Hanton, Lyall R.; Spicer, Mark D.","Six-Coordinated Cd(II) Centers as Four- or Six-Connected Nodes in Coordination Polymer Networks Containing Bis(4-pyridyl)amine","Crystal Growth & Design","2007","7","2","328","","10.1021/cg0604632","","x-ray","0.71073","MoKα","","0.0371","0.0332","","","0.0942","0.0997","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503920","24.0569","0.0012","16.084","0.0008","16.5679","0.0006","90","","132.762","0.002","90","","4706.6","0.4","123","2","123","2","","","","","","","synthesis as described","5","C 1 c 1","C -2yc","9","Compound 2 dccdb","","","- C40 H40 Cd2 N16 O14 -","- C40 H40 Cd2 N16 O14 -","- C160 H160 Cd8 N64 O56 -","4","1","","Cordes, David B.; Hanton, Lyall R.; Spicer, Mark D.","Six-Coordinated Cd(II) Centers as Four- or Six-Connected Nodes in Coordination Polymer Networks Containing Bis(4-pyridyl)amine","Crystal Growth & Design","2007","7","2","328","","10.1021/cg0604632","","x-ray","0.71073","MoKα","","0.0857","0.0449","","","0.0711","0.0788","","","","","","0.945","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503921","17.268","0.005","15.465","0.005","17.929","0.005","90","","90","","90","","4788","2","113","2","113","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","Compound 3 dcbcds","","","- C20 H26 Cd N6 O8 S -","- C20 H20 Cd N6 O8 S -","- C160 H160 Cd8 N48 O64 S8 -","8","1","","Cordes, David B.; Hanton, Lyall R.; Spicer, Mark D.","Six-Coordinated Cd(II) Centers as Four- or Six-Connected Nodes in Coordination Polymer Networks Containing Bis(4-pyridyl)amine","Crystal Growth & Design","2007","7","2","328","","10.1021/cg0604632","","","0.71069","MoKα","","0.0589","0.0332","","","0.0718","0.0835","","","","","","1.051","","","","has coordinates,has disorder","179574","2020-10-21","18:00:00",""
"4503922","23.4891","0.0016","6.9729","0.0005","9.0414","0.0006","90","","105.212","0.004","90","","1428.98","0.17","123","2","123","2","","","","","","","synthesis as described","6","C 1 2/m 1","-C 2y","12","Compound 4 DCBCDS","","","- C24 H30 Cd N8 O10 S2 -","- C24 H20 Cd N8 O10 S2 -","- C48 H40 Cd2 N16 O20 S4 -","2","0.25","","Cordes, David B.; Hanton, Lyall R.; Spicer, Mark D.","Six-Coordinated Cd(II) Centers as Four- or Six-Connected Nodes in Coordination Polymer Networks Containing Bis(4-pyridyl)amine","Crystal Growth & Design","2007","7","2","328","","10.1021/cg0604632","","x-ray","0.71073","MoKα","","0.066","0.0565","","","0.1411","0.1479","","","","","","1.096","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503923","13.9318","0.0003","13.9318","0.0003","29.5213","0.0012","90","","90","","90","","5729.9","0.3","566","2","566","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","C16 H28 N12 Ni4 O8","","","- C4 H7 N3 Ni O2 -","- C4 H7 N3 Ni O2 -","- C128 H224 N96 Ni32 O64 -","32","1","","Lin, Zuodong; Li, Zhifeng; Zhang, Hongjie","Syntheses, Structures, and Magnetic Properties of Two Novel Three-Dimensional Frameworks Built from M4O4Cubanes and Dicyanamide Bridges","Crystal Growth & Design","2007","7","4","589","","10.1021/cg060468z","","","0.71073","MoKα","","0.0329","0.0308","","","0.081","0.0824","","","","","","1.07","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503924","14.053","0.0004","14.053","0.0004","29.781","0.002","90","","90","","90","","5881.4","0.5","293","2","293","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","C12 H28 N12 Co4 O8","","","- C4 H7 Co N3 O2 -","- C4 H4 Co N3 O2 -","- C128 H128 Co32 N96 O64 -","32","1","","Lin, Zuodong; Li, Zhifeng; Zhang, Hongjie","Syntheses, Structures, and Magnetic Properties of Two Novel Three-Dimensional Frameworks Built from M4O4Cubanes and Dicyanamide Bridges","Crystal Growth & Design","2007","7","4","589","","10.1021/cg060468z","","","0.71073","MoKα","","0.0841","0.0544","","","0.118","0.1325","","","","","","1.067","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503925","10.456","0.003","9.592","0.003","7.806","0.002","90","","102.79","0.005","90","","763.5","0.4","175","2","175","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 F4 O -","- C8 H4 F4 O -","- C32 H16 F16 O4 -","4","1","","Chopra, Deepak; Thiruvenkatam, Vijay; Manjunath, S. G.; Guru Row, Tayur N.","Variability in Halogen Interactions: In situ Cryocrystallization of Low Melting Substituted Trifluoroacetophenones","Crystal Growth & Design","2007","7","5","868","","10.1021/cg0604881","","","0.71073","MoKα","","0.0362","0.0326","","","0.0875","0.0899","","","","","","1.081","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503926","7.478","0.003","9.884","0.004","11.222","0.005","90","","90","","90","","829.4","0.6","175","2","175","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H4 Cl F3 O -","- C8 H4 Cl F3 O -","- C32 H16 Cl4 F12 O4 -","4","1","","Chopra, Deepak; Thiruvenkatam, Vijay; Manjunath, S. G.; Guru Row, Tayur N.","Variability in Halogen Interactions: In situ Cryocrystallization of Low Melting Substituted Trifluoroacetophenones","Crystal Growth & Design","2007","7","5","868","","10.1021/cg0604881","","","0.71073","MoKα","","0.0482","0.0398","","","0.1004","0.1056","","","","","","1.07","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503927","11.862","0.01","10.237","0.009","7.298","0.006","90","","101.11","0.015","90","","869.6","1.3","135","2","135","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 Br F3 O -","- C8 H4 Br F3 O -","- C32 H16 Br4 F12 O4 -","4","1","","Chopra, Deepak; Thiruvenkatam, Vijay; Manjunath, S. G.; Guru Row, Tayur N.","Variability in Halogen Interactions: In situ Cryocrystallization of Low Melting Substituted Trifluoroacetophenones","Crystal Growth & Design","2007","7","5","868","","10.1021/cg0604881","","","0.71073","MoKα","","0.0783","0.0405","","","0.0842","0.0962","","","","","","0.996","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503928","4.5037","0.0017","14.915","0.006","12.927","0.005","90","","90.456","0.006","90","","868.3","0.6","175","2","175","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 Br F3 O -","- C8 H4 Br F3 O -","- C32 H16 Br4 F12 O4 -","4","1","","Chopra, Deepak; Thiruvenkatam, Vijay; Manjunath, S. G.; Guru Row, Tayur N.","Variability in Halogen Interactions: In situ Cryocrystallization of Low Melting Substituted Trifluoroacetophenones","Crystal Growth & Design","2007","7","5","868","","10.1021/cg0604881","","","0.71073","MoKα","","0.049","0.032","","","0.0821","0.0891","","","","","","1.023","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503929","11.838","0.003","6.7278","0.0017","10.692","0.003","90","","90","","90","","851.6","0.4","175","2","290","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H4 F3 N O3 -","- C8 H4 F3 N O3 -","- C32 H16 F12 N4 O12 -","4","0.5","","Chopra, Deepak; Thiruvenkatam, Vijay; Manjunath, S. G.; Guru Row, Tayur N.","Variability in Halogen Interactions: In situ Cryocrystallization of Low Melting Substituted Trifluoroacetophenones","Crystal Growth & Design","2007","7","5","868","","10.1021/cg0604881","","","0.71073","MoKα","","0.0487","0.0379","","","0.0947","0.1021","","","","","","1.029","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503930","7.485","0.005","17.964","0.011","7.624","0.005","90","","97.103","0.011","90","","1017.3","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H3 F5 O3 -","- C10 H3 F5 O3 -","- C40 H12 F20 O12 -","4","1","","Choudhury, Angshuman R.; Bhat, Ramakrishna G.; Guru Row, Tayur N.; Chandrasekaran, Srinivasan","Weak Csp3−H···F−C Interaction Overshadows the Strong C⋮C−H···OC Hydrogen Bond: Structure of Pentafluorophenyl Prop-2-ynyl Carbonate","Crystal Growth & Design","2007","7","5","844","","10.1021/cg060489t","","","0.71073","MoKα","","0.0762","0.0354","","","0.0735","0.0854","","","","","","0.913","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503931","7.3166","0.0011","17.769","0.003","7.4574","0.0012","90","","98.305","0.002","90","","959.4","0.3","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H3 F5 O3 -","- C10 H3 F5 O3 -","- C40 H12 F20 O12 -","4","1","","Choudhury, Angshuman R.; Bhat, Ramakrishna G.; Guru Row, Tayur N.; Chandrasekaran, Srinivasan","Weak Csp3−H···F−C Interaction Overshadows the Strong C⋮C−H···OC Hydrogen Bond: Structure of Pentafluorophenyl Prop-2-ynyl Carbonate","Crystal Growth & Design","2007","7","5","844","","10.1021/cg060489t","","","0.71073","MoKα","","0.0304","0.028","","","0.0722","0.0739","","","","","","1.068","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503932","24.14","0.003","11.7092","0.0012","14.2102","0.0017","90","","98.537","0.003","90","","3972.2","0.8","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 Br4 Cu N4 O4 S12 -","- C24 H28 Br4 Cu N4 O4 S12 -","- C96 H112 Br16 Cu4 N16 O16 S48 -","4","0.5","","Lu, Wen; Zhu, Qin-Yu; Dai, Jie; Zhang, Yong; Bian, Guo-Qing; Liu, Yu; Zhang, De-Qing","Tetrathiafulvalene-Diamide Salts with S···S and C···C Stacked Radical Couples","Crystal Growth & Design","2007","7","4","652","","10.1021/cg060490s","","","0.71073","MoKα","","0.0448","0.0406","","","0.0899","0.0924","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4503933","7.4716","0.0011","10.4775","0.0016","13.571","0.002","112.049","0.003","91.326","0.002","99.671","0.003","966.4","0.3","173","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Cl N2 O6 S6 -","- C12 H14 Cl N2 O6 S6 -","- C24 H28 Cl2 N4 O12 S12 -","2","1","","Lu, Wen; Zhu, Qin-Yu; Dai, Jie; Zhang, Yong; Bian, Guo-Qing; Liu, Yu; Zhang, De-Qing","Tetrathiafulvalene-Diamide Salts with S···S and C···C Stacked Radical Couples","Crystal Growth & Design","2007","7","4","652","","10.1021/cg060490s","","","0.71073","MoKα","","0.0379","0.0325","","","0.0769","0.0807","","","","","","1.016","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503934","7.1863","0.0009","25.31","0.003","10.2043","0.0012","90","","107.645","0.003","90","","1768.7","0.4","173","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Br N2 O2 S6 -","- C12 H14 Br N2 O2 S6 -","- C48 H56 Br4 N8 O8 S24 -","4","1","","Lu, Wen; Zhu, Qin-Yu; Dai, Jie; Zhang, Yong; Bian, Guo-Qing; Liu, Yu; Zhang, De-Qing","Tetrathiafulvalene-Diamide Salts with S···S and C···C Stacked Radical Couples","Crystal Growth & Design","2007","7","4","652","","10.1021/cg060490s","","","0.71073","MoKα","","0.038","0.0319","","","0.0613","0.0633","","","","","","1.154","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503935","12.4906","0.0013","12.3673","0.0013","16.6196","0.0017","90","","100.954","0.002","90","","2520.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 F N3 O10 Zn -","- C26 H22 F N3 O10 Zn -","- C104 H88 F4 N12 O40 Zn4 -","4","1","","Xiao, Dong-Rong; Wang, En-Bo; An, Hai-Yan; Li, Yang-Guang; Xu, Lin","Syntheses and Structures of Three Unprecedented Metal−Ciprofloxacin Complexes with Helical Character","Crystal Growth & Design","2007","7","3","506","","10.1021/cg060492c","","","0.71073","MoKα","","0.0433","0.0306","","","0.0778","0.08","","","","","","1.003","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503936","25.3","0.005","10.91","0.002","19.079","0.004","90","","120.79","0.03","90","","4524","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H42 F2 N6 O15 Zn2 -","- C50 H42 F2 N6 O15 Zn2 -","- C200 H168 F8 N24 O60 Zn8 -","4","0.5","","Xiao, Dong-Rong; Wang, En-Bo; An, Hai-Yan; Li, Yang-Guang; Xu, Lin","Syntheses and Structures of Three Unprecedented Metal−Ciprofloxacin Complexes with Helical Character","Crystal Growth & Design","2007","7","3","506","","10.1021/cg060492c","","","0.71073","MoKα","","0.0852","0.0513","","","0.0896","0.1006","","","","","","1.259","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503937","24.763","0.005","12.38","0.003","17.729","0.004","90","","113.2","0.03","90","","4996","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H50 F2 N6 O19 Zn2 -","- C51 H42 F2 N6 O19 Zn2 -","- C204 H168 F8 N24 O76 Zn8 -","4","0.5","","Xiao, Dong-Rong; Wang, En-Bo; An, Hai-Yan; Li, Yang-Guang; Xu, Lin","Syntheses and Structures of Three Unprecedented Metal−Ciprofloxacin Complexes with Helical Character","Crystal Growth & Design","2007","7","3","506","","10.1021/cg060492c","","","0.71073","MoKα","","0.059","0.0431","","","0.1136","0.1225","","","","","","1.039","","","","has coordinates,has disorder","179574","2020-10-21","18:00:00",""
"4503938","25.1148","0.0014","25.1148","0.0014","15.2765","0.0017","90","","90","","120","","8344.8","1.1","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H24 F30 N15 P3 -","- C48 H24 F30 N15 P3 -","- C288 H144 F180 N90 P18 -","6","0.333333","","Chandrasekhar, Vadapalli; Thilagar, Pakkirisamy; Krishnan, Venkatasubbaiah; Bickley, James. F.; Steiner, Alexander","Click Synthesis of Fluorine-Rich Cyclotriphosphazene Hydrazones. Synthesis and Supramolecular Structures of N3P3(N(Me)NCHC6F5)6,spiro-N3P3(C12H8O2)(N(Me)NCHC6F5)4, anddispiro-N3P3(C12H8O2)2(N(Me)NCHC6F5)2","Crystal Growth & Design","2007","7","4","668","","10.1021/cg060496h","","","0.71073","MoKα","","0.0527","0.0388","","","0.0904","0.0967","","","","","","1.038","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503939","17.5169","0.0014","12.7823","0.001","21.688","0.0018","90","","106.583","0.002","90","","4654.1","0.6","100","2","546","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H24 F20 N11 O2 P3 -","- C44 H24 F20 N11 O2 P3 -","- C176 H96 F80 N44 O8 P12 -","4","1","","Chandrasekhar, Vadapalli; Thilagar, Pakkirisamy; Krishnan, Venkatasubbaiah; Bickley, James. F.; Steiner, Alexander","Click Synthesis of Fluorine-Rich Cyclotriphosphazene Hydrazones. Synthesis and Supramolecular Structures of N3P3(N(Me)NCHC6F5)6,spiro-N3P3(C12H8O2)(N(Me)NCHC6F5)4, anddispiro-N3P3(C12H8O2)2(N(Me)NCHC6F5)2","Crystal Growth & Design","2007","7","4","668","","10.1021/cg060496h","","","0.71073","MoKα","","0.1158","0.0731","","","0.1343","0.1567","","","","","","1.104","","","","has coordinates,has disorder","301842","2025-08-21","00:37:13",""
"4503940","11.1074","0.001","12.3829","0.0012","18.4333","0.0017","95.309","0.002","102.645","0.002","98.605","0.002","2425.3","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H40 F10 N7 O8 P3 -","- C48 H40 F10 N7 O8 P3 -","- C96 H80 F20 N14 O16 P6 -","2","1","","Chandrasekhar, Vadapalli; Thilagar, Pakkirisamy; Krishnan, Venkatasubbaiah; Bickley, James. F.; Steiner, Alexander","Click Synthesis of Fluorine-Rich Cyclotriphosphazene Hydrazones. Synthesis and Supramolecular Structures of N3P3(N(Me)NCHC6F5)6,spiro-N3P3(C12H8O2)(N(Me)NCHC6F5)4, anddispiro-N3P3(C12H8O2)2(N(Me)NCHC6F5)2","Crystal Growth & Design","2007","7","4","668","","10.1021/cg060496h","","","0.71073","MoKα","","0.0882","0.0628","","","0.1471","0.1602","","","","","","1.029","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503941","10.3899","0.0011","12.8135","0.0013","13.9528","0.0015","82.283","0.002","85.887","0.002","89.235","0.002","1836","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H82 Cd3 N20 O17 S2 -","- C66 H82 Cd3 N20 O17 S2 -","- C66 H82 Cd3 N20 O17 S2 -","1","0.5","","Wen, Lili; Lu, Zhenda; Lin, Jianguo; Tian, Zhengfang; Zhu, Huizhen; Meng, Qingjin","Syntheses, Structures, and Physical Properties of Three Novel Metal−Organic Frameworks Constructed from Aromatic Polycarboxylate Acids and Flexible Imidazole-Based Synthons","Crystal Growth & Design","2007","7","1","93","","10.1021/cg0604982","","","0.71073","MoKα","","0.076","0.0424","","","0.0834","0.0874","","","","","","0.998","","","","has coordinates,has disorder","179574","2020-10-21","18:00:00",""
"4503942","9.3253","0.0006","10.9646","0.0007","19.4452","0.0013","76.604","0.001","83.509","0.001","74.188","0.001","1858.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H70 Co3 N16 O18 S2 -","- C72 H70 Co3 N16 O18 S2 -","- C72 H70 Co3 N16 O18 S2 -","1","0.5","","Wen, Lili; Lu, Zhenda; Lin, Jianguo; Tian, Zhengfang; Zhu, Huizhen; Meng, Qingjin","Syntheses, Structures, and Physical Properties of Three Novel Metal−Organic Frameworks Constructed from Aromatic Polycarboxylate Acids and Flexible Imidazole-Based Synthons","Crystal Growth & Design","2007","7","1","93","","10.1021/cg0604982","","","0.71073","MoKα","","0.0697","0.0547","","","0.1293","0.134","","","","","","1.031","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503943","30.815","0.004","10.3982","0.0013","17.918","0.002","90","","103.038","0.003","90","","5593.3","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 Cd N7 O5 -","- C28 H26 Cd N7 O5 -","- C224 H208 Cd8 N56 O40 -","8","1","","Wen, Lili; Lu, Zhenda; Lin, Jianguo; Tian, Zhengfang; Zhu, Huizhen; Meng, Qingjin","Syntheses, Structures, and Physical Properties of Three Novel Metal−Organic Frameworks Constructed from Aromatic Polycarboxylate Acids and Flexible Imidazole-Based Synthons","Crystal Growth & Design","2007","7","1","93","","10.1021/cg0604982","","","0.71073","MoKα","","0.077","0.0526","","","0.1132","0.1189","","","","","","1.055","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503944","8.889","0.002","8.91","0.002","16.624","0.004","79.859","0.006","76.747","0.006","66.467","0.006","1169.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 Cl Cu3 N20 O331 -","- C17 H21 Cl Cu3 N10 O3.31 -","- C34 H42 Cl2 Cu6 N20 O6.62 -","2","1","","Casarin, Maurizio; Cingolani, Augusto; Di Nicola, Corrado; Falcomer, Daniele; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio","The Different Supramolecular Arrangements of the Triangular [Cu3(μ3-OH)(μ-pz)3]2+(pz = Pyrazolate) Secondary Building Units. Synthesis of a Coordination Polymer with Permanent Hexagonal Channels","Crystal Growth & Design","2007","7","4","676","","10.1021/cg060501h","","","0.71073","MoKα","","0.126","0.0883","","","0.2052","0.23","","","","","","1.052","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503945","32.743","0.002","32.743","0.002","13.8177","0.0007","90","0.005","90","0.005","120","0.005","12829.3","1.4","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H48 Cl6 Cu7 N24 O4 -","- C36 H44 Cl6 Cu7 N24 O4 -","- C324 H396 Cl54 Cu63 N216 O36 -","9","0.5","","Casarin, Maurizio; Cingolani, Augusto; Di Nicola, Corrado; Falcomer, Daniele; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio","The Different Supramolecular Arrangements of the Triangular [Cu3(μ3-OH)(μ-pz)3]2+(pz = Pyrazolate) Secondary Building Units. Synthesis of a Coordination Polymer with Permanent Hexagonal Channels","Crystal Growth & Design","2007","7","4","676","","10.1021/cg060501h","","","0.71073","MoKα","","0.08","0.0592","","","0.1633","0.1782","","","","","","1.02","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503946","16.8267","0.0006","16.8267","0.0006","8.9583","0.0006","90","","90","","90","","2536.4","0.2","100","2","100","2","","","","","","","","6","P -4 21 m","P -4 2ab","113","","","","- C36 H44 Cl4 Cu6 N24 O4 -","- C36 H44 Cl4 Cu6 N24 O4 -","- C72 H88 Cl8 Cu12 N48 O8 -","2","0.25","","Casarin, Maurizio; Cingolani, Augusto; Di Nicola, Corrado; Falcomer, Daniele; Monari, Magda; Pandolfo, Luciano; Pettinari, Claudio","The Different Supramolecular Arrangements of the Triangular [Cu3(μ3-OH)(μ-pz)3]2+(pz = Pyrazolate) Secondary Building Units. Synthesis of a Coordination Polymer with Permanent Hexagonal Channels","Crystal Growth & Design","2007","7","4","676","","10.1021/cg060501h","","","0.71073","MoKα","","0.0286","0.0273","","","0.0749","0.0755","","","","","","1.069","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4503947","18.549","0.007","18.549","0.007","50.77","0.03","90","","90","","120","","15128","12","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C102 H188 La12 N18 Na O115.5 -","- C102 H102 La12 N18 Na O115.52 -","- C306 H306 La36 N54 Na3 O346.56 -","3","0.166667","","Xu, Jing-Yuan; Zhao, Bin; Bian, He-Dong; Gu, Wen; Yan, Shi-Ping; Cheng, Peng; Liao, Dai-Zheng; Shen, Pan-Wen","Syntheses, Structures, and Properties of Novel Cagelike Complexes Based on Dodecanuclear Lanthanide with a Large Cavity","Crystal Growth & Design","2007","7","6","1044","","10.1021/cg0605032","","","0.71073","MoKα","","0.2685","0.0695","","","0.1358","0.2182","","","","","","0.962","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503948","25.329","0.004","25.329","0.004","45.031","0.006","90","","90","","120","","25019","7","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C102 H219 N18 Na O131 Pr12 -","- C102 H188 N18 Na O131 Pr12 -","- C306 H564 N54 Na3 O393 Pr36 -","3","0.166667","","Xu, Jing-Yuan; Zhao, Bin; Bian, He-Dong; Gu, Wen; Yan, Shi-Ping; Cheng, Peng; Liao, Dai-Zheng; Shen, Pan-Wen","Syntheses, Structures, and Properties of Novel Cagelike Complexes Based on Dodecanuclear Lanthanide with a Large Cavity","Crystal Growth & Design","2007","7","6","1044","","10.1021/cg0605032","","","0.71073","MoKα","","0.2128","0.0653","","","0.1415","0.2192","","","","","","1.097","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503949","25.305","0.008","25.305","0.008","45.08","0.03","90","","90","","120","","24999","2","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C102 H219 N18 Na Nd12 O131 -","- C102 H188 N18 Na Nd12 O131 -","- C306 H564 N54 Na3 Nd36 O393 -","3","0.166667","","Xu, Jing-Yuan; Zhao, Bin; Bian, He-Dong; Gu, Wen; Yan, Shi-Ping; Cheng, Peng; Liao, Dai-Zheng; Shen, Pan-Wen","Syntheses, Structures, and Properties of Novel Cagelike Complexes Based on Dodecanuclear Lanthanide with a Large Cavity","Crystal Growth & Design","2007","7","6","1044","","10.1021/cg0605032","","","0.71073","MoKα","","0.2062","0.0617","","","0.1277","0.1938","","","","","","1.069","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503950","5.8687","0.0001","8.6852","0.0001","14.7116","0.0003","87.69","0.001","84.207","0.001","71.612","0.001","707.91","0.02","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","(E)-(3,3'-(diazene-1,2-diyl)bis(3,1-phenylene))bis(diphenylmethanol)","","- C19 H15 N O -","- C19 H15 N O -","- C38 H30 N2 O2 -","2","1","","Scott, Janet L.; Almesaker, Ann; Sumi, Yoshinori; Tanaka, Koichi","Guest Signaling Compound: trans-3,3‘-Bis(diphenylhydroxymethyl)azobenzene","Crystal Growth & Design","2007","7","6","1049","","10.1021/cg060522b","","","0.71073","MoKα","","0.0881","0.0659","","","0.1166","0.1255","","","","","","1.11","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503951","9.1808","0.0006","23.882","0.001","9.2981","0.0005","90","","112.545","0.002","90","","1882.87","0.18","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-(3,3'-(diazene-1,2-diyl)bis(3,1-phenylene))bis(diphenylmethanol) pyridine solvate","","- C24 H20 N2 O -","- C24 H20 N2 O -","- C96 H80 N8 O4 -","4","1","","Scott, Janet L.; Almesaker, Ann; Sumi, Yoshinori; Tanaka, Koichi","Guest Signaling Compound: trans-3,3‘-Bis(diphenylhydroxymethyl)azobenzene","Crystal Growth & Design","2007","7","6","1049","","10.1021/cg060522b","","","0.71073","MoKα","","0.1908","0.0582","","","0.1075","0.1425","","","","","","0.912","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503952","8.954","0.0004","9.0428","0.0004","10.9379","0.0006","102.171","0.002","98.851","0.002","105.778","0.002","811.84","0.07","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","(E)-(3,3'-(diazene-1,2-diyl)bis(3,1-phenylene))bis(diphenylmethanol) dioxane solvate","","- C21 H19 N O2 -","- C21 H19 N O2 -","- C42 H38 N2 O4 -","2","1","","Scott, Janet L.; Almesaker, Ann; Sumi, Yoshinori; Tanaka, Koichi","Guest Signaling Compound: trans-3,3‘-Bis(diphenylhydroxymethyl)azobenzene","Crystal Growth & Design","2007","7","6","1049","","10.1021/cg060522b","","","0.71073","MoKα","","0.1637","0.0589","","","0.1235","0.1606","","","","","","1.014","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503953","15.0153","0.0018","14.9868","0.0018","13.0646","0.0016","90","","114.005","0.002","90","","2685.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N4 O5 Zn -","- C30 H30 N4 O5 Zn -","- C120 H120 N16 O20 Zn4 -","4","1","","Das, Sanjib; Bharadwaj, Parimal K.","Supramolecular Host−Guest Systems of Luminescent Zn(II) Complexes with Benzene, Nitrobenzene, and Ethanol: Selectivity of Guest Inclusion and Solid-State Fluorescence Modulation Studies","Crystal Growth & Design","2007","7","6","1192","","10.1021/cg060531k","","","0.71073","MoKα","","0.0478","0.0407","","","0.1051","0.1092","","","","","","1.054","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503954","36.917","0.005","10.959","0.005","14.071","0.005","90","0.005","101.777","0.005","90","0.005","5573","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H31 N4 O4 Zn -","- C33 H31 N4 O4 Zn -","- C264 H248 N32 O32 Zn8 -","8","1","","Das, Sanjib; Bharadwaj, Parimal K.","Supramolecular Host−Guest Systems of Luminescent Zn(II) Complexes with Benzene, Nitrobenzene, and Ethanol: Selectivity of Guest Inclusion and Solid-State Fluorescence Modulation Studies","Crystal Growth & Design","2007","7","6","1192","","10.1021/cg060531k","","","0.71069","MoKα","","0.0613","0.0439","","","0.103","0.1105","","","","","","1.012","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503955","15.4915","0.0013","15.4649","0.0014","16.1761","0.0014","90","","91.964","0.002","90","","3873.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 N6 O9 Zn -","- C42 H40 N6 O9 Zn -","- C168 H160 N24 O36 Zn4 -","4","1","","Das, Sanjib; Bharadwaj, Parimal K.","Supramolecular Host−Guest Systems of Luminescent Zn(II) Complexes with Benzene, Nitrobenzene, and Ethanol: Selectivity of Guest Inclusion and Solid-State Fluorescence Modulation Studies","Crystal Growth & Design","2007","7","6","1192","","10.1021/cg060531k","","","0.71073","MoKα","","0.129","0.105","","","0.2126","0.2212","","","","","","1.229","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503956","14.631","0.005","15.568","0.005","16.065","0.005","90","0.005","114.475","0.005","90","0.005","3330.4","1.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H42 N4 O7 Zn -","- C34 H42 N4 O7 Zn -","- C136 H168 N16 O28 Zn4 -","4","1","","Das, Sanjib; Bharadwaj, Parimal K.","Supramolecular Host−Guest Systems of Luminescent Zn(II) Complexes with Benzene, Nitrobenzene, and Ethanol: Selectivity of Guest Inclusion and Solid-State Fluorescence Modulation Studies","Crystal Growth & Design","2007","7","6","1192","","10.1021/cg060531k","","","0.71069","MoKα","","0.1775","0.0963","","","0.2317","0.2723","","","","","","1.048","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503957","20.0657","0.0008","21.64","0.0008","7.3127","0.0003","90","","90","","90","","3175.3","0.2","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24 H30 N4 O19 Pb2 -","- C24 H30 N4 O19 Pb2 -","- C96 H120 N16 O76 Pb8 -","4","0.5","","Zhao, Ya-Hui; Xu, Hong-Bin; Shao, Kui-Zhan; Xing, Yan; Su, Zhong-Min; Ma, Jian-Fang","Syntheses, Characterization, and Luminescent Properties of Three 3D Lead−Organic Frameworks with 1D Channels","Crystal Growth & Design","2007","7","3","513","","10.1021/cg060535p","","","0.71073","MoKα","","0.0238","0.0191","","","0.0453","0.0461","","","","","","1.051","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503958","13.369","0.005","15.588","0.005","8.082","0.005","90","0.005","90","0.005","90","0.005","1684.3","1.3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C12 H8 N2 O7.9 Pb -","- C12 H8 N2 O7.9 Pb -","- C48 H32 N8 O31.6 Pb4 -","4","0.5","","Zhao, Ya-Hui; Xu, Hong-Bin; Shao, Kui-Zhan; Xing, Yan; Su, Zhong-Min; Ma, Jian-Fang","Syntheses, Characterization, and Luminescent Properties of Three 3D Lead−Organic Frameworks with 1D Channels","Crystal Growth & Design","2007","7","3","513","","10.1021/cg060535p","","","0.71069","MoKα","","0.0485","0.025","","","0.0601","0.0685","","","","","","1.037","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503959","17.749","0.004","17.749","0.004","6.895","0.002","90","","90","","90","","2172.1","0.9","293","2","293","2","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- C24 H16 N4 O23 Pb4 -","- C24 H16 N4 O22.96 Pb4 -","- C48 H32 N8 O45.92 Pb8 -","2","0.125","","Zhao, Ya-Hui; Xu, Hong-Bin; Shao, Kui-Zhan; Xing, Yan; Su, Zhong-Min; Ma, Jian-Fang","Syntheses, Characterization, and Luminescent Properties of Three 3D Lead−Organic Frameworks with 1D Channels","Crystal Growth & Design","2007","7","3","513","","10.1021/cg060535p","","","0.71073","MoKα","","0.0667","0.0393","","","0.1001","0.1062","","","","","","0.995","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503960","11.8175","0.0006","11.9876","0.0006","17.907","0.0009","90","","92.109","0.001","90","","2535","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","pentacene-maleimide adduct w/ dichlorobenzene","","","- C32 H21 Cl2 N O2 -","- C32 H21 Cl4 N O2 -","- C128 H84 Cl16 N4 O8 -","4","1","","Mitzi, David B.; Afzali, Ali","Diels−Alder Adduct of Pentacene and Maleimide: Crystal Growth and the Influence of Solvent Molecules on Structure and Hydrogen Bonding","Crystal Growth & Design","2007","7","4","691","","10.1021/cg060559w","","","0.7093","MolybdenumKα","","0.068","0.068","","0.087","0.087","","","","","3.76","3.76","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503961","11.71","0.001","11.453","0.001","18.356","0.002","90","","90.262","0.002","90","","2461.8","0.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pentacene-maleimide adduct w/ toluene","","","- C33 H25 N O2 -","- C33 H25 N O2 -","- C132 H100 N4 O8 -","4","1","","Mitzi, David B.; Afzali, Ali","Diels−Alder Adduct of Pentacene and Maleimide: Crystal Growth and the Influence of Solvent Molecules on Structure and Hydrogen Bonding","Crystal Growth & Design","2007","7","4","691","","10.1021/cg060559w","","","0.7093","MolybdenumKα","","0.043","0.043","","0.051","0.051","","","","","2.22","2.22","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503962","10.92","0.002","15.549","0.002","15.558","0.002","102.799","0.003","95.801","0.003","91.164","0.003","2560.4","0.7","293","","293","","","","","","","","","4","P -1","-P 1","2","pentacene-maleimide adduct w/ pyridine","","","- C67 H49 N5 O4 -","- C67 H49 N5 O4 -","- C134 H98 N10 O8 -","2","1","","Mitzi, David B.; Afzali, Ali","Diels−Alder Adduct of Pentacene and Maleimide: Crystal Growth and the Influence of Solvent Molecules on Structure and Hydrogen Bonding","Crystal Growth & Design","2007","7","4","691","","10.1021/cg060559w","","","0.7093","MolybdenumKα","","0.058","0.057","","0.057","0.057","","","","","1.46","1.46","","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503963","14.2086","0.0011","7.6337","0.0006","18.6555","0.0015","90","","108.395","0.001","90","","1920.1","0.3","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","pentacene-maleimide adduct","","","- C26 H17 N O2 -","- C26 H17 N O2 -","- C104 H68 N4 O8 -","4","1","","Mitzi, David B.; Afzali, Ali","Diels−Alder Adduct of Pentacene and Maleimide: Crystal Growth and the Influence of Solvent Molecules on Structure and Hydrogen Bonding","Crystal Growth & Design","2007","7","4","691","","10.1021/cg060559w","","","0.7093","MolybdenumKα","","0.045","0.044","","0.051","0.049","","","","","2.17","2.17","","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503964","14.397","0.003","9.2579","0.0016","21.485","0.004","90","","106.368","0.003","90","","2747.6","0.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Cd2 N2 O12 S -","- C26 H22 Cd2 N2 O12 S -","- C104 H88 Cd8 N8 O48 S4 -","4","1","","Su, Yang; Zang, Shuangquan; Li, Yizhi; Zhu, Huizhen; Meng, Qingjin","Four d10Metal Coordination Polymers Containing Isomeric Thiodiphthalic Ligands: Crystal Structures and Luminescent Properties","Crystal Growth & Design","2007","7","7","1277","","10.1021/cg060572g","","","0.71073","MoKα","","0.0809","0.0524","","","0.0905","0.0985","","","","","","1","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503965","10.332","0.002","9.3363","0.0019","28.822","0.006","90","","90.21","0.004","90","","2780.2","1","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H46 N4 O25 S2 Zn4 -","- C52 H46 N4 O25 S2 Zn4 -","- C104 H92 N8 O50 S4 Zn8 -","2","0.5","","Su, Yang; Zang, Shuangquan; Li, Yizhi; Zhu, Huizhen; Meng, Qingjin","Four d10Metal Coordination Polymers Containing Isomeric Thiodiphthalic Ligands: Crystal Structures and Luminescent Properties","Crystal Growth & Design","2007","7","7","1277","","10.1021/cg060572g","","","0.71073","MoKα","","0.0874","0.0615","","","0.1331","0.1419","","","","","","1.074","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503966","7.856","0.002","26.525","0.007","10.692","0.003","90","","104.52","0.005","90","","2156.8","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 Cd2 N O11 S -","- C21 H16 Cd2 N O11 S -","- C84 H64 Cd8 N4 O44 S4 -","4","1","","Su, Yang; Zang, Shuangquan; Li, Yizhi; Zhu, Huizhen; Meng, Qingjin","Four d10Metal Coordination Polymers Containing Isomeric Thiodiphthalic Ligands: Crystal Structures and Luminescent Properties","Crystal Growth & Design","2007","7","7","1277","","10.1021/cg060572g","","","0.71073","MoKα","","0.0757","0.0639","","","0.166","0.1736","","","","","","1.076","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503967","9.6585","0.0007","10.8284","0.0007","12.2062","0.0008","103.776","0.001","99.415","0.001","108.169","0.001","1138.26","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H16 N2 O8 S Zn -","- C26 H16 N2 O8 S Zn -","- C52 H32 N4 O16 S2 Zn2 -","2","1","","Su, Yang; Zang, Shuangquan; Li, Yizhi; Zhu, Huizhen; Meng, Qingjin","Four d10Metal Coordination Polymers Containing Isomeric Thiodiphthalic Ligands: Crystal Structures and Luminescent Properties","Crystal Growth & Design","2007","7","7","1277","","10.1021/cg060572g","","","0.71073","MoKα","","0.0389","0.0326","","","0.0878","0.0907","","","","","","1.003","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503968","8.2178","0.0005","21.2814","0.0013","8.595","0.0005","90","","96.088","0.001","90","","1494.67","0.16","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Li6 Mo12 O39 -","- Li6 Mo12 O39 -","- Li12 Mo24 O78 -","2","1","","Smit, Jared P.; Stair, Peter C.; Poeppelmeier, Kenneth R.","Polymorphism in Li2Mo4O13Revisited","Crystal Growth & Design","2007","7","3","521","","10.1021/cg060576l","","","0.71073","MoKα","","0.025","0.0225","","","0.0536","0.0547","","","","","","1.026","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503969","14.3339","0.0018","20.76","0.003","21.507","0.003","69.992","0.005","73.154","0.005","72.353","0.005","5605.5","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H116 La4 N16 O72 P16 -","- C48 H68 La4 N16 O72 P16 -","- C96 H136 La8 N32 O144 P32 -","2","1","","Tang, Si-Fu; Song, Jun-Ling; Li, Xiu-Ling; Mao, Jiang-Gao","Novel Luminescent Lanthanide(III) Diphosphonates with Rarely Observed Topology","Crystal Growth & Design","2007","7","2","360","","10.1021/cg060590y","","","0.71073","MoKα","","0.0605","0.0515","","","0.1253","0.1323","","","","","","1.062","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503970","10.6305","0.0005","17.0798","0.0008","16.7882","0.001","90","","92.294","0.003","90","","3045.7","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H25 Eu N4 O16 P4 -","- C12 H17 Eu N4 O16 P4 -","- C48 H68 Eu4 N16 O64 P16 -","4","1","","Tang, Si-Fu; Song, Jun-Ling; Li, Xiu-Ling; Mao, Jiang-Gao","Novel Luminescent Lanthanide(III) Diphosphonates with Rarely Observed Topology","Crystal Growth & Design","2007","7","2","360","","10.1021/cg060590y","","","0.71073","MoKα","","0.0543","0.046","","","0.1241","0.1313","","","","","","1.1","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503971","10.519","0.004","17.221","0.006","16.653","0.006","90","","91.931","0.007","90","","3014.9","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H25 Er N4 O16 P4 -","- C12 H17 Er N4 O16 P4 -","- C48 H68 Er4 N16 O64 P16 -","4","1","","Tang, Si-Fu; Song, Jun-Ling; Li, Xiu-Ling; Mao, Jiang-Gao","Novel Luminescent Lanthanide(III) Diphosphonates with Rarely Observed Topology","Crystal Growth & Design","2007","7","2","360","","10.1021/cg060590y","","","0.71073","MoKα","","0.1052","0.0741","","","0.1688","0.187","","","","","","1.152","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503972","17.7743","0.0016","25.311","0.002","16.5981","0.0015","90","","105.408","0.002","90","","7198.9","1.1","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C120 H104 Cl4 Cu12 N24 O8 S12 W4 -","- C120 H104 Cl4 Cu12 N24 O8 S12 W4 -","- C240 H208 Cl8 Cu24 N48 O16 S24 W8 -","2","0.25","","Liang, Kai; Zheng, He-Gen; Song, Ying-Lin; Li, Yi-Zhi; Xin, Xin-Quan","Novel Cluster Coordination Polymers Based on Tetranuclear Nest-Shaped [WOS3Cu3] Heterothiometallitic Secondary Building Units and 4,4'-Bipyridine Ligand","Crystal Growth & Design","2007","7","2","373","376","10.1021/cg0606038","","","0.71073","MoKα","","0.0419","0.0409","","","0.1023","0.1024","","","","","","1.016","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503973","9.843","0.001","12.974","0.001","17.362","0.002","97.65","0.01","101.5","0.01","108.65","0.01","2011.8","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C31 H48 Br2 Cu3 N4 O S3 W -","- C31 H48 Br2 Cu3 N4 O S3 W -","- C62 H96 Br4 Cu6 N8 O2 S6 W2 -","2","1","","Liang, Kai; Zheng, He-Gen; Song, Ying-Lin; Li, Yi-Zhi; Xin, Xin-Quan","Novel Cluster Coordination Polymers Based on Tetranuclear Nest-Shaped [WOS3Cu3] Heterothiometallitic Secondary Building Units and 4,4'-Bipyridine Ligand","Crystal Growth & Design","2007","7","2","373","376","10.1021/cg0606038","","","0.71073","MoKα","","0.0548","0.0348","","","0.0638","0.0674","","","","","","0.949","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503974","9.8917","0.0008","8.2994","0.0006","24.1948","0.0018","90","","92.004","0.006","90","","1985.1","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Cl3 D N4 O2 -","- C17 H18 Cl3 D N4 O2 -","- C68 H72 Cl12 D4 N16 O8 -","4","1","","Chen, Huan-Ching; Hu, Hui-Ling; Chan, Zhi-Kai; Yeh, Chun-Wei; Jia, Hsi-Wei; Wu, Chi-Phi; Chen, Jhy-Der; Wang, Ju-Chun","Ag(I) Complexes Containing FlexibleN,N‘-Di(2-pyridyl)adipoamide Ligands: Syntheses, Structures, and Ligand Conformations","Crystal Growth & Design","2007","7","4","698","","10.1021/cg060619y","","","0.71073","MoKα","","0.084","0.061","","","0.1598","0.1781","","","","","","1.047","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503975","10.909","0.002","5.2417","0.0012","14.816","0.003","90","","99.742","0.017","90","","835","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 N4 O4 -","- C16 H22 N4 O4 -","- C32 H44 N8 O8 -","2","0.5","","Chen, Huan-Ching; Hu, Hui-Ling; Chan, Zhi-Kai; Yeh, Chun-Wei; Jia, Hsi-Wei; Wu, Chi-Phi; Chen, Jhy-Der; Wang, Ju-Chun","Ag(I) Complexes Containing FlexibleN,N‘-Di(2-pyridyl)adipoamide Ligands: Syntheses, Structures, and Ligand Conformations","Crystal Growth & Design","2007","7","4","698","","10.1021/cg060619y","","","0.71073","MoKα","","0.0632","0.0474","","","0.1146","0.1282","","","","","","1.083","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503976","8.3486","0.0012","9.9271","0.001","11.5278","0.0011","99.612","0.007","104.505","0.009","103.956","0.01","870.95","0.19","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Ag N5 O5 -","- C16 H18 Ag N5 O5 -","- C32 H36 Ag2 N10 O10 -","2","1","","Chen, Huan-Ching; Hu, Hui-Ling; Chan, Zhi-Kai; Yeh, Chun-Wei; Jia, Hsi-Wei; Wu, Chi-Phi; Chen, Jhy-Der; Wang, Ju-Chun","Ag(I) Complexes Containing FlexibleN,N‘-Di(2-pyridyl)adipoamide Ligands: Syntheses, Structures, and Ligand Conformations","Crystal Growth & Design","2007","7","4","698","","10.1021/cg060619y","","","0.71073","MoKα","","0.0313","0.0288","","","0.0585","0.0598","","","","","","1.016","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503977","4.9284","0.0008","10.5139","0.0019","11.6977","0.0017","110.359","0.01","92.989","0.011","93.981","0.013","565.01","0.17","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H18 Ag F6 N4 O2 P -","- C16 H18 Ag F6 N4 O2 P -","- C16 H18 Ag F6 N4 O2 P -","1","0.5","","Chen, Huan-Ching; Hu, Hui-Ling; Chan, Zhi-Kai; Yeh, Chun-Wei; Jia, Hsi-Wei; Wu, Chi-Phi; Chen, Jhy-Der; Wang, Ju-Chun","Ag(I) Complexes Containing FlexibleN,N‘-Di(2-pyridyl)adipoamide Ligands: Syntheses, Structures, and Ligand Conformations","Crystal Growth & Design","2007","7","4","698","","10.1021/cg060619y","","","0.71073","MoKα","","0.06","0.0543","","","0.1209","0.1238","","","","","","1.032","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503978","9.8724","0.0018","10.2111","0.0011","11.5477","0.0012","111.007","0.008","93.701","0.012","93.778","0.01","1079.5","0.3","295","2","295","2","","","","","","","","7","P 1","P 1","1","","","","- C18 H22 Ag B F4 N5 O2.5 -","- C18 H21 Ag B F4 N5 O2.5 -","- C36 H42 Ag2 B2 F8 N10 O5 -","2","2","","Chen, Huan-Ching; Hu, Hui-Ling; Chan, Zhi-Kai; Yeh, Chun-Wei; Jia, Hsi-Wei; Wu, Chi-Phi; Chen, Jhy-Der; Wang, Ju-Chun","Ag(I) Complexes Containing FlexibleN,N‘-Di(2-pyridyl)adipoamide Ligands: Syntheses, Structures, and Ligand Conformations","Crystal Growth & Design","2007","7","4","698","","10.1021/cg060619y","","","0.71073","MoKα","","0.0639","0.0421","","","0.075","0.0846","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503979","9.8733","0.0019","10.3078","0.0018","11.5645","0.0014","111.169","0.01","93.351","0.013","93.971","0.013","1090.5","0.3","295","2","295","2","","","","","","","","6","P 1","P 1","1","","","","- C18 H21 Ag Cl N5 O6 -","- C18 H21 Ag Cl N5 O6 -","- C36 H42 Ag2 Cl2 N10 O12 -","2","2","","Chen, Huan-Ching; Hu, Hui-Ling; Chan, Zhi-Kai; Yeh, Chun-Wei; Jia, Hsi-Wei; Wu, Chi-Phi; Chen, Jhy-Der; Wang, Ju-Chun","Ag(I) Complexes Containing FlexibleN,N‘-Di(2-pyridyl)adipoamide Ligands: Syntheses, Structures, and Ligand Conformations","Crystal Growth & Design","2007","7","4","698","","10.1021/cg060619y","","","0.71073","MoKα","","0.0473","0.037","","","0.1057","0.1158","","","","","","1.049","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503980","17.281","0.004","14.731","0.003","23.027","0.005","90","","101.453","0.004","90","","5745","2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H19.33 Ag Cl N4 O6.67 -","- C16 H18 Ag Cl N4 O6.66667 -","- C192 H216 Ag12 Cl12 N48 O80 -","12","3","","Chen, Huan-Ching; Hu, Hui-Ling; Chan, Zhi-Kai; Yeh, Chun-Wei; Jia, Hsi-Wei; Wu, Chi-Phi; Chen, Jhy-Der; Wang, Ju-Chun","Ag(I) Complexes Containing FlexibleN,N‘-Di(2-pyridyl)adipoamide Ligands: Syntheses, Structures, and Ligand Conformations","Crystal Growth & Design","2007","7","4","698","","10.1021/cg060619y","","","0.71073","MoKα","","0.0857","0.0578","","","0.154","0.1824","","","","","","1.06","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503981","31.39","0.005","14.581","0.003","22.107","0.005","90","","119.167","0.013","90","","8835","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H45 Ag2 N10 O9 S -","- C40 H45 Ag2 N10 O9 S -","- C320 H360 Ag16 N80 O72 S8 -","8","1","","Chen, Huan-Ching; Hu, Hui-Ling; Chan, Zhi-Kai; Yeh, Chun-Wei; Jia, Hsi-Wei; Wu, Chi-Phi; Chen, Jhy-Der; Wang, Ju-Chun","Ag(I) Complexes Containing FlexibleN,N‘-Di(2-pyridyl)adipoamide Ligands: Syntheses, Structures, and Ligand Conformations","Crystal Growth & Design","2007","7","4","698","","10.1021/cg060619y","","","0.71073","MoKα","","0.064","0.0361","","","0.0796","0.0906","","","","","","1.006","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503982","12.341","0.003","13.238","0.003","15.373","0.003","99.23","0.03","90.25","0.03","105.11","0.03","2390.5","1","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C70 H59 Cl2 Cu7 N14 O41.5 P W12 -","- C70 H56 Cl2 Cu7 N14 O41.5 P W12 -","- C70 H56 Cl2 Cu7 N14 O41.5 P W12 -","1","0.5","","Fan, Linlin; Xiao, Dongrong; Wang, Enbo; Li, Yangguang; Su, Zhongming; Wang, Xinlong; Liu, Jia","An Unprecedented Fivefold Interpenetrating Network Based on Polyoxometalate Building Blocks","Crystal Growth & Design","2007","7","4","592","","10.1021/cg060621p","","","0.71073","MoKα","","0.0958","0.0871","","","0.1838","0.1881","","","","","","1.178","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4503983","12.4042","0.0008","7.8426","0.0005","7.6642","0.0005","90","","99.076","0.001","90","","736.25","0.08","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl F2 N Pd0.5 -","- C6 H5 Cl F2 N Pd0.5 -","- C24 H20 Cl4 F8 N4 Pd2 -","4","1","","Baldovino-Pantaleón, Oscar; Morales-Morales, David; Hernández-Ortega, Simón; Toscano, Rubén A.; Valdés-Martínez, Jesús","Pd−N−H···Cl−Pd Hydrogen Bonds and π−π Interactions between Fluorinated Aromatic Rings intrans-[PdCl2(NH2ArF)2]","Crystal Growth & Design","2007","7","1","117","","10.1021/cg0606388","","","0.71073","MoKα","","0.0275","0.0234","","","0.0521","0.0543","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503984","13.8","0.001","6.187","0.001","8.582","0.001","90","","97.225","0.002","90","","726.92","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Dichloro-bis(2,5-difluoroaniline-N)-palladium(ii)","","- C12 H10 Cl2 F4 N2 Pd -","- C12 H10 Cl2 F4 N2 Pd -","- C24 H20 Cl4 F8 N4 Pd2 -","2","0.5","","Baldovino-Pantaleón, Oscar; Morales-Morales, David; Hernández-Ortega, Simón; Toscano, Rubén A.; Valdés-Martínez, Jesús","Pd−N−H···Cl−Pd Hydrogen Bonds and π−π Interactions between Fluorinated Aromatic Rings intrans-[PdCl2(NH2ArF)2]","Crystal Growth & Design","2007","7","1","117","","10.1021/cg0606388","","","0.71073","MoKα","","0.0608","0.0382","","","0.0662","0.0718","","","","","","0.986","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503985","6.075","0.001","4.558","0.001","25.034","0.003","90","","94.939","0.002","90","","690.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-Dichloro-bis(3,4-difluoroaniline)-palladium(ii)","","- C12 H10 Cl2 F4 N2 Pd -","- C12 H10 Cl2 F4 N2 Pd -","- C24 H20 Cl4 F8 N4 Pd2 -","2","0.5","","Baldovino-Pantaleón, Oscar; Morales-Morales, David; Hernández-Ortega, Simón; Toscano, Rubén A.; Valdés-Martínez, Jesús","Pd−N−H···Cl−Pd Hydrogen Bonds and π−π Interactions between Fluorinated Aromatic Rings intrans-[PdCl2(NH2ArF)2]","Crystal Growth & Design","2007","7","1","117","","10.1021/cg0606388","","","0.71073","MoKα","","0.03","0.0244","","","0.0503","0.0524","","","","","","1.019","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503986","4.6825","0.0003","5.9943","0.0004","25.622","0.002","90","","90.414","0.001","90","","719.15","0.09","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl F2 N Pd0.5 -","- C6 H5 Cl F2 N Pd0.5 -","- C24 H20 Cl4 F8 N4 Pd2 -","4","1","","Baldovino-Pantaleón, Oscar; Morales-Morales, David; Hernández-Ortega, Simón; Toscano, Rubén A.; Valdés-Martínez, Jesús","Pd−N−H···Cl−Pd Hydrogen Bonds and π−π Interactions between Fluorinated Aromatic Rings intrans-[PdCl2(NH2ArF)2]","Crystal Growth & Design","2007","7","1","117","","10.1021/cg0606388","","","0.71073","MoKα","","0.0222","0.0189","","","0.043","0.0439","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4503987","4.8442","0.0003","5.9318","0.0004","25.7188","0.0016","90","","94.572","0.001","90","","736.67","0.08","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Cl2 F6 N2 Pd -","- C12 H8 Cl2 F6 N2 Pd -","- C24 H16 Cl4 F12 N4 Pd2 -","2","0.5","","Baldovino-Pantaleón, Oscar; Morales-Morales, David; Hernández-Ortega, Simón; Toscano, Rubén A.; Valdés-Martínez, Jesús","Pd−N−H···Cl−Pd Hydrogen Bonds and π−π Interactions between Fluorinated Aromatic Rings intrans-[PdCl2(NH2ArF)2]","Crystal Growth & Design","2007","7","1","117","","10.1021/cg0606388","","","0.71073","MoKα","","0.0228","0.0195","","","0.0453","0.0462","","","","","","0.991","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503988","13.056","0.001","7.844","0.001","7.752","0.001","90","","98.885","0.001","90","","784.37","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Dichloro-bis(2,4,5-Trifluoro-phenylamine)-palladium(ii)","","- C12 H8 Cl2 F6 N2 Pd -","- C12 H8 Cl2 F6 N2 Pd -","- C24 H16 Cl4 F12 N4 Pd2 -","2","0.5","","Baldovino-Pantaleón, Oscar; Morales-Morales, David; Hernández-Ortega, Simón; Toscano, Rubén A.; Valdés-Martínez, Jesús","Pd−N−H···Cl−Pd Hydrogen Bonds and π−π Interactions between Fluorinated Aromatic Rings intrans-[PdCl2(NH2ArF)2]","Crystal Growth & Design","2007","7","1","117","","10.1021/cg0606388","","","0.71073","MoKα","","0.0332","0.0263","","","0.0584","0.061","","","","","","1.003","","","","has coordinates,has disorder","179574","2020-10-21","18:00:00",""
"4503989","23.003","0.001","6.4923","0.0003","20.888","0.001","90","","97.163","0.001","90","","3095.1","0.2","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","trans-Dichloro-bis(2,4,6-trifluoroaniline-N)-palladium(ii)","","- C12 H8 Cl2 F6 N2 Pd -","- C12 H8 Cl2 F6 N2 Pd -","- C96 H64 Cl16 F48 N16 Pd8 -","8","2","","Baldovino-Pantaleón, Oscar; Morales-Morales, David; Hernández-Ortega, Simón; Toscano, Rubén A.; Valdés-Martínez, Jesús","Pd−N−H···Cl−Pd Hydrogen Bonds and π−π Interactions between Fluorinated Aromatic Rings intrans-[PdCl2(NH2ArF)2]","Crystal Growth & Design","2007","7","1","117","","10.1021/cg0606388","","","0.71073","MoKα","","0.0743","0.0424","","","0.0691","0.0739","","","","","","0.992","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503990","4.6039","0.0009","6.86","0.0014","38.115","0.008","90","","93.143","0.004","90","","1202","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H34 N8 O8 -","- C16 H34 N8 O8 -","- C32 H68 N16 O16 -","2","0.5","","Shi, Xue-Fang; Zhang, Wen-Qin","Water Tape Assembled in 1,10-Bis(2-pyrazinylcarbonyl)-1,4,7,10-tetraazadecane via H-Bonding and π−π Stacking","Crystal Growth & Design","2007","7","4","595","","10.1021/cg0606390","","","0.71073","MoKα","","0.1023","0.0596","","","0.1397","0.1574","","","","","","1.048","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503991","13.1822","0.0009","13.5142","0.0009","13.6341","0.0009","65.703","0.001","83.157","0.001","69.709","0.001","2075.6","0.2","187","1","187","1","","","","","","","","5","P -1","-P 1","2","","[Bis(pyridine-2,6-dicarboxylato)copper(II)- bis(trans-1,2-bis(4-pyridyl)ethylene)]dicopper(I) heptahydrate","","- C38 H40 Cu3 N6 O15 -","- C38 H40 Cu3 N6 O15 -","- C76 H80 Cu6 N12 O30 -","2","1","","Hu, Ning-Hai; Li, Zhi-Gang; Xu, Jing-Wei; Jia, Heng-Qing; Niu, Jia-Jia","Self-Assembly of a Water Chain with Tetrameric and Decameric Clusters in the Channel of a Mixed-Valence CuICuIIComplex","Crystal Growth & Design","2007","7","1","15","","10.1021/cg060641r","","","0.71073","MoKα","","0.0554","0.0401","","","0.0921","0.0997","","","","","","1.01","","","","has coordinates","179574","2020-10-21","18:00:00",""
"4503992","11.446","0.005","11.893","0.005","15.502","0.008","93.71","0.03","110.76","0.03","113","0.04","1765","1.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 F2 O4 -","- C20 H16 F2 O4 -","- C80 H64 F8 O16 -","4","2","","Mori, Yutaka; Matsumoto, Akikazu","Molecular Stacking and Photoreactions of Fluorine-Substituted Benzyl Muconates in the Crystals","Crystal Growth & Design","2007","7","2","377","","10.1021/cg060643b","","","0.71075","MoKα","","0.1572","0.0563","","","0.1369","0.1777","","","","","","0.882","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503993","19.165","0.003","8.2749","0.0013","5.4329","0.0008","90","","98.82","","90","","851.4","0.2","203","2","203","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H14 F4 O4 -","- C20 H14 F4 O4 -","- C40 H28 F8 O8 -","2","0.5","","Mori, Yutaka; Matsumoto, Akikazu","Molecular Stacking and Photoreactions of Fluorine-Substituted Benzyl Muconates in the Crystals","Crystal Growth & Design","2007","7","2","377","","10.1021/cg060643b","","","0.71075","MoKα","","0.0608","0.037","","","0.0854","0.0916","","","","","","1.037","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503994","3.9694","0.0012","10.829","0.003","10.846","0.003","74.13","0.02","81.53","0.02","87.59","0.03","443.5","0.2","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 F4 O4 -","- C20 H14 F4 O4 -","- C20 H14 F4 O4 -","1","0.5","","Mori, Yutaka; Matsumoto, Akikazu","Molecular Stacking and Photoreactions of Fluorine-Substituted Benzyl Muconates in the Crystals","Crystal Growth & Design","2007","7","2","377","","10.1021/cg060643b","","","0.71075","MoKα","","0.0637","0.0456","","","0.1248","0.1325","","","","","","1.089","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503995","3.8986","0.0007","20.073","0.005","11.586","0.002","90","","96.466","0.012","90","","900.9","0.3","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 F6 O4 -","- C20 H12 F6 O4 -","- C40 H24 F12 O8 -","2","0.5","","Mori, Yutaka; Matsumoto, Akikazu","Molecular Stacking and Photoreactions of Fluorine-Substituted Benzyl Muconates in the Crystals","Crystal Growth & Design","2007","7","2","377","","10.1021/cg060643b","","","0.71075","MoKα","","0.0898","0.0666","","","0.1825","0.1906","","","","","","1.128","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503996","5.128","0.002","5.4881","0.0017","17.557","0.006","93.484","0.016","97.572","0.018","104.33","0.02","472.3","0.3","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H10 F8 O4 -","- C20 H10 F8 O4 -","- C20 H10 F8 O4 -","1","0.5","","Mori, Yutaka; Matsumoto, Akikazu","Molecular Stacking and Photoreactions of Fluorine-Substituted Benzyl Muconates in the Crystals","Crystal Growth & Design","2007","7","2","377","","10.1021/cg060643b","","","0.71075","MoKα","","0.0792","0.0679","","","0.1969","0.2108","","","","","","1.081","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503997","5.2","0.002","5.486","0.002","17.773","0.007","93.41","0.04","95.44","0.03","105.3","0.04","485","0.3","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H8 F10 O4 -","- C20 H8 F10 O4 -","- C20 H8 F10 O4 -","1","0.5","","Mori, Yutaka; Matsumoto, Akikazu","Molecular Stacking and Photoreactions of Fluorine-Substituted Benzyl Muconates in the Crystals","Crystal Growth & Design","2007","7","2","377","","10.1021/cg060643b","","","0.71075","MoKα","","0.0778","0.0594","","","0.1647","0.1806","","","","","","1.076","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503998","11.443","0.004","4.0015","0.001","18.646","0.006","90","","96.182","0.014","90","","848.8","0.5","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 F2 O4 -","- C20 H16 F2 O4 -","- C40 H32 F4 O8 -","2","0.5","","Mori, Yutaka; Matsumoto, Akikazu","Molecular Stacking and Photoreactions of Fluorine-Substituted Benzyl Muconates in the Crystals","Crystal Growth & Design","2007","7","2","377","","10.1021/cg060643b","","","0.71075","MoKα","","0.0724","0.0566","","","0.1526","0.167","","","","","","1.042","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4503999","4.0798","0.0011","12.561","0.003","16.697","0.006","90","","96.257","0.015","90","","850.6","0.4","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 F4 O4 -","- C20 H14 F4 O4 -","- C40 H28 F8 O8 -","2","0.5","","Mori, Yutaka; Matsumoto, Akikazu","Molecular Stacking and Photoreactions of Fluorine-Substituted Benzyl Muconates in the Crystals","Crystal Growth & Design","2007","7","2","377","","10.1021/cg060643b","","","0.71075","MoKα","","0.0735","0.0546","","","0.15","0.1613","","","","","","1.083","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4504000","3.832","0.002","9.876","0.006","12.178","0.006","71.04","0.04","81.01","0.04","78.94","0.05","425.6","0.4","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 F4 O4 -","- C20 H14 F4 O4 -","- C20 H14 F4 O4 -","1","0.5","","Mori, Yutaka; Matsumoto, Akikazu","Molecular Stacking and Photoreactions of Fluorine-Substituted Benzyl Muconates in the Crystals","Crystal Growth & Design","2007","7","2","377","","10.1021/cg060643b","","","0.71075","MoKα","","0.068","0.0405","","","0.0974","0.1055","","","","","","0.999","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4504001","3.9341","0.0014","9.978","0.004","12.089","0.004","106.49","0.03","98.19","0.03","98.82","0.02","440.9","0.3","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H12 F6 O4 -","- C20 H12 F6 O4 -","- C20 H12 F6 O4 -","1","0.5","","Mori, Yutaka; Matsumoto, Akikazu","Molecular Stacking and Photoreactions of Fluorine-Substituted Benzyl Muconates in the Crystals","Crystal Growth & Design","2007","7","2","377","","10.1021/cg060643b","","","0.71075","MoKα","","0.0646","0.042","","","0.109","0.1166","","","","","","0.981","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4504002","11.483","0.005","7.009","0.003","11.849","0.005","90","","104.5","0.04","90","","923.3","0.7","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H10 F8 O4 -","- C20 H10 F8 O4 -","- C40 H20 F16 O8 -","2","0.5","","Mori, Yutaka; Matsumoto, Akikazu","Molecular Stacking and Photoreactions of Fluorine-Substituted Benzyl Muconates in the Crystals","Crystal Growth & Design","2007","7","2","377","","10.1021/cg060643b","","","0.71075","MoKα","","0.0954","0.0686","","","0.1843","0.2056","","","","","","1.044","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4504003","11.899","0.005","5.196","0.002","15.134","0.007","90","","96.71","0.04","90","","929.3","0.7","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H10 F8 O4 -","- C20 H10 F8 O4 -","- C40 H20 F16 O8 -","2","0.5","","Mori, Yutaka; Matsumoto, Akikazu","Molecular Stacking and Photoreactions of Fluorine-Substituted Benzyl Muconates in the Crystals","Crystal Growth & Design","2007","7","2","377","","10.1021/cg060643b","","","0.71075","MoKα","","0.0776","0.0456","","","0.1007","0.1117","","","","","","1.023","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4504004","9.626","0.012","5.409","0.007","18.84","0.02","90","","98.2","0.11","90","","971","2","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H8 F10 O4 -","- C20 H8 F10.02 O4 -","- C40 H16 F20.04 O8 -","2","0.5","","Mori, Yutaka; Matsumoto, Akikazu","Molecular Stacking and Photoreactions of Fluorine-Substituted Benzyl Muconates in the Crystals","Crystal Growth & Design","2007","7","2","377","","10.1021/cg060643b","","","0.71075","MoKα","","0.1487","0.1012","","","0.3204","0.3539","","","","","","1.137","","","","has coordinates,has disorder","179575","2020-10-21","18:00:00",""
"4504005","4.732","0.009","11.14","0.03","17.22","0.03","90","","88.51","0.09","90","","907","3","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 F4 O4 -","- C20 H14 F4 O4 -","- C40 H28 F8 O8 -","2","0.5","","Mori, Yutaka; Matsumoto, Akikazu","Molecular Stacking and Photoreactions of Fluorine-Substituted Benzyl Muconates in the Crystals","Crystal Growth & Design","2007","7","2","377","","10.1021/cg060643b","","","0.71075","MoKα","","0.117","0.0802","","","0.2526","0.2863","","","","","","1.05","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504006","5.7995","0.0001","5.2393","0.0001","31.193","0.0002","90","","91.172","0.001","90","","947.61","0.03","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O8 -","- C20 H16 N2 O8 -","- C40 H32 N4 O16 -","2","0.5","","Matsumoto, Akikazu; Furukawa, Daisuke; Mori, Yutaka; Tanaka, Toshihiro; Oka, Kunio","Change in Crystal Structure and Polymerization Reactivity for the Solid-State Polymerization of Muconic Esters","Crystal Growth & Design","2007","7","6","1078","","10.1021/cg0606444","","","0.71069","MoKα","","0.1343","0.0781","","","0.1684","0.2017","","","","","","1.162","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4504007","4.177","0.003","12.58","0.01","16.677","0.01","90","","96.14","0.03","90","","871.3","1.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 F4 O4 -","- C20 H14 F4 O4 -","- C40 H28 F8 O8 -","2","0.5","","Matsumoto, Akikazu; Furukawa, Daisuke; Mori, Yutaka; Tanaka, Toshihiro; Oka, Kunio","Change in Crystal Structure and Polymerization Reactivity for the Solid-State Polymerization of Muconic Esters","Crystal Growth & Design","2007","7","6","1078","","10.1021/cg0606444","","","0.71075","MoKα","","0.0861","0.0401","","","0.0864","0.0978","","","","","","0.981","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4504008","11.54","0.002","4.4318","0.0007","18.858","0.004","90","","102.397","0.007","90","","942","0.3","296","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C22 H18 O8 -","- C22 H18 O8 -","- C44 H36 O16 -","2","0.5","","Matsumoto, Akikazu; Furukawa, Daisuke; Mori, Yutaka; Tanaka, Toshihiro; Oka, Kunio","Change in Crystal Structure and Polymerization Reactivity for the Solid-State Polymerization of Muconic Esters","Crystal Growth & Design","2007","7","6","1078","","10.1021/cg0606444","","","0.71075","MoKα","","0.0962","0.0429","","","0.0864","0.0993","","","","","","0.929","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4504009","5.99","0.005","4.855","0.003","31.941","0.014","90","","92.85","0.02","90","","927.7","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O8 -","- C20 H16 N2 O8 -","- C40 H32 N4 O16 -","2","0.5","","Matsumoto, Akikazu; Furukawa, Daisuke; Mori, Yutaka; Tanaka, Toshihiro; Oka, Kunio","Change in Crystal Structure and Polymerization Reactivity for the Solid-State Polymerization of Muconic Esters","Crystal Growth & Design","2007","7","6","1078","","10.1021/cg0606444","","","0.71075","MoKα","","0.1634","0.0948","","","0.282","0.3172","","","","","","1.081","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504010","4.716","0.003","11.213","0.008","17.13","0.014","90","","91.32","0.06","90","","905.6","1.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 F4 O4 -","- C20 H14 F4 O4 -","- C40 H28 F8 O8 -","2","0.5","","Matsumoto, Akikazu; Furukawa, Daisuke; Mori, Yutaka; Tanaka, Toshihiro; Oka, Kunio","Change in Crystal Structure and Polymerization Reactivity for the Solid-State Polymerization of Muconic Esters","Crystal Growth & Design","2007","7","6","1078","","10.1021/cg0606444","","","0.71075","MoKα","","0.1426","0.0772","","","0.225","0.2692","","","","","","1.02","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504011","4.748","0.003","11.312","0.006","17.286","0.008","90","","91.4","0.04","90","","928.1","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 F4 O4 -","- C20 H14 F4 O4 -","- C40 H28 F8 O8 -","2","0.5","","Matsumoto, Akikazu; Furukawa, Daisuke; Mori, Yutaka; Tanaka, Toshihiro; Oka, Kunio","Change in Crystal Structure and Polymerization Reactivity for the Solid-State Polymerization of Muconic Esters","Crystal Growth & Design","2007","7","6","1078","","10.1021/cg0606444","","","0.71075","MoKα","","0.1306","0.0734","","","0.2365","0.277","","","","","","1.049","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504012","10.85","0.03","4.702","0.004","18.73","0.02","90","","105.67","0.02","90","","920","3","296","2","296","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C22 H18 O8 -","- C22 H18 O8 -","- C44 H36 O16 -","2","0.5","","Matsumoto, Akikazu; Furukawa, Daisuke; Mori, Yutaka; Tanaka, Toshihiro; Oka, Kunio","Change in Crystal Structure and Polymerization Reactivity for the Solid-State Polymerization of Muconic Esters","Crystal Growth & Design","2007","7","6","1078","","10.1021/cg0606444","","","0.71075","MoKα","","0.2338","0.0926","","","0.2357","0.3188","","","","","","0.937","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504013","12.866","0.005","8.321","0.005","13.307","0.005","90","0.005","108","0.005","90","0.005","1354.9","1.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","4-methyl-7-styrylcoumarin","4-methyl-7-styrylcoumarin","","- C18 H14 O2 -","- C18 H14 O2 -","- C72 H56 O8 -","4","1","","Moorthy, Jarugu Narasimha; Venkatakrishnan, Parthasarathy","Double [2+2] Photocycloaddition: Topochemical Conversion of 4-Methyl-7-Styrylcoumarin Dimorphs into a Strained Cyclophane","Crystal Growth & Design","2007","7","4","713","","10.1021/cg060652k","","","0.71069","MoKα","","0.1098","0.0625","","","0.1605","0.1878","","","","","","1.024","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4504014","9.529","0.005","22.353","0.005","13.006","0.005","90","0.005","94.847","0.005","90","0.005","2760.4","1.9","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","4-methyl-7-styrylcoumarin","4-methyl-7-styrylcoumarin(polymorph2)","","- C18 H14 O2 -","- C18 H14 O2 -","- C144 H112 O16 -","8","2","","Moorthy, Jarugu Narasimha; Venkatakrishnan, Parthasarathy","Double [2+2] Photocycloaddition: Topochemical Conversion of 4-Methyl-7-Styrylcoumarin Dimorphs into a Strained Cyclophane","Crystal Growth & Design","2007","7","4","713","","10.1021/cg060652k","","","0.71069","MoKα","","0.1783","0.0615","","","0.1509","0.2","","","","","","0.987","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504015","9.374","0.003","17.514","0.005","20.342","0.006","90","","90","","90","","3339.7","1.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","cyclophane-bis-lactol","cyclophane-bis-lactol","","- C20 H21 O3 S -","- C20 H21 O3 S -","- C160 H168 O24 S8 -","8","1","","Moorthy, Jarugu Narasimha; Venkatakrishnan, Parthasarathy","Double [2+2] Photocycloaddition: Topochemical Conversion of 4-Methyl-7-Styrylcoumarin Dimorphs into a Strained Cyclophane","Crystal Growth & Design","2007","7","4","713","","10.1021/cg060652k","","","0.71073","MoKα","","0.0856","0.0635","","","0.1293","0.1378","","","","","","1.081","","","","has coordinates,has disorder","301842","2025-08-21","00:37:13",""
"4504016","15.6865","0.0014","5.8068","0.0007","12.6748","0.0014","90","","126.19","0.009","90","","931.8","0.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C4 H7 Br I N S2 -","- C4 H7 Br I N S2 -","- C16 H28 Br4 I4 N4 S8 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Demartin, Francesco; Devillanova, Francesco A.; Gelbrich, Thomas; Garau, Alessandra; Hursthouse, Michael B.; Isaia, Francesco; Lippolis, Vito","Charge-Transfer Adducts ofN-Methylthiazolidine-2-thione with IBr and I2: An Example of Polymorphism Featuring Interpenetrating Three-Dimensional Subcomponent Assemblies and Halogen···π···Ηalogen Weak Interactions","Crystal Growth & Design","2007","7","7","1284","","10.1021/cg0606545","","","0.71073","MoKα","","0.0282","0.0218","","","0.0575","0.0601","","","","","","1.089","","","","has coordinates","301842","2025-08-21","00:37:13",""
"4504017","14.746","0.003","18.417","0.009","12.542","0.004","90","","123.96","0.02","90","","2825.1","1.9","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C4 H7 Br I N S2 -","- C4 H7 Br I N S2 -","- C48 H84 Br12 I12 N12 S24 -","12","3","","Aragoni, M. Carla; Arca, Massimiliano; Demartin, Francesco; Devillanova, Francesco A.; Gelbrich, Thomas; Garau, Alessandra; Hursthouse, Michael B.; Isaia, Francesco; Lippolis, Vito","Charge-Transfer Adducts ofN-Methylthiazolidine-2-thione with IBr and I2: An Example of Polymorphism Featuring Interpenetrating Three-Dimensional Subcomponent Assemblies and Halogen···π···Ηalogen Weak Interactions","Crystal Growth & Design","2007","7","7","1284","","10.1021/cg0606545","","","0.71073","MoKα","","0.0601","0.0368","","","0.0971","0.1067","","","","","","1.04","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504018","16.121","0.002","5.95","0.001","13.105","0.001","90","","127.53","0.01","90","","996.9","0.3","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C4 H7 I2 N S2 -","- C4 H7 I2 N S2 -","- C16 H28 I8 N4 S8 -","4","1","","Aragoni, M. Carla; Arca, Massimiliano; Demartin, Francesco; Devillanova, Francesco A.; Gelbrich, Thomas; Garau, Alessandra; Hursthouse, Michael B.; Isaia, Francesco; Lippolis, Vito","Charge-Transfer Adducts ofN-Methylthiazolidine-2-thione with IBr and I2: An Example of Polymorphism Featuring Interpenetrating Three-Dimensional Subcomponent Assemblies and Halogen···π···Ηalogen Weak Interactions","Crystal Growth & Design","2007","7","7","1284","","10.1021/cg0606545","","","0.71073","MoKα","","0.016","0.016","","","0.0423","0.0423","","","","","","1.1","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504019","26.098","0.007","6.5711","0.0018","16.638","0.005","90","","118.509","0.003","90","","2507.3","1.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 N6 O8 Zn -","- C24 H22 N6 O8 Zn -","- C96 H88 N24 O32 Zn4 -","4","0.5","","Jin, Shouwen; Chen, Wanzhi; Qiu, Huayu","Syntheses and Structural Characterization of a One-Dimensional Chain, Two-Dimensional Noninterpenetrated Grid, and Three-Dimensional Polycatenane Coordination Polymers Assembled from Flexible Bidentate Imidazolyl Ligands","Crystal Growth & Design","2007","7","10","2071","","10.1021/cg060666q","","","0.71073","MoKα","","0.06","0.0489","","","0.1247","0.1356","","","","","","1.025","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504020","8.514","0.005","9.242","0.005","10.409","0.005","89.302","0.006","76.287","0.006","86.998","0.006","794.6","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H40 N4 Ni O10 -","- C28 H40 N4 Ni O10 -","- C28 H40 N4 Ni O10 -","1","0.5","","Jin, Shouwen; Chen, Wanzhi; Qiu, Huayu","Syntheses and Structural Characterization of a One-Dimensional Chain, Two-Dimensional Noninterpenetrated Grid, and Three-Dimensional Polycatenane Coordination Polymers Assembled from Flexible Bidentate Imidazolyl Ligands","Crystal Growth & Design","2007","7","10","2071","","10.1021/cg060666q","","","0.71073","MoKα","","0.0583","0.0411","","","0.0888","0.0991","","","","","","1.041","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504021","8.582","0.003","13.45","0.005","9.381","0.003","90","","106.997","0.004","90","","1035.5","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 Cl2 Mn N8 O4 -","- C14 H24 Cl2 Mn N8 O4 -","- C28 H48 Cl4 Mn2 N16 O8 -","2","0.5","","Jin, Shouwen; Chen, Wanzhi; Qiu, Huayu","Syntheses and Structural Characterization of a One-Dimensional Chain, Two-Dimensional Noninterpenetrated Grid, and Three-Dimensional Polycatenane Coordination Polymers Assembled from Flexible Bidentate Imidazolyl Ligands","Crystal Growth & Design","2007","7","10","2071","","10.1021/cg060666q","","","0.71073","MoKα","","0.0561","0.0378","","","0.0947","0.1086","","","","","","1.035","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504022","9.14","0.003","15.831","0.003","13.961","0.005","90","","90","","90","","2020.1","1.1","298","2","298","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C16 H16 Fe N10 S2 -","- C16 H16 Fe N10 S2 -","- C64 H64 Fe4 N40 S8 -","4","","","Jin, Shouwen; Chen, Wanzhi; Qiu, Huayu","Syntheses and Structural Characterization of a One-Dimensional Chain, Two-Dimensional Noninterpenetrated Grid, and Three-Dimensional Polycatenane Coordination Polymers Assembled from Flexible Bidentate Imidazolyl Ligands","Crystal Growth & Design","2007","7","10","2071","","10.1021/cg060666q","","","0.71073","MoKα","","0.038","0.0286","","","0.0739","0.0851","","","","","","1.003","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504023","8.681","0.008","8.861","0.009","14.809","0.014","105.63","0.013","103.226","0.012","91.186","0.013","1063.8","1.8","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H21 Cd N8 S2 -","- C17 H21 Cd N8 S2 -","- C34 H42 Cd2 N16 S4 -","2","1","","Jin, Shouwen; Chen, Wanzhi; Qiu, Huayu","Syntheses and Structural Characterization of a One-Dimensional Chain, Two-Dimensional Noninterpenetrated Grid, and Three-Dimensional Polycatenane Coordination Polymers Assembled from Flexible Bidentate Imidazolyl Ligands","Crystal Growth & Design","2007","7","10","2071","","10.1021/cg060666q","","","0.71073","MoKα","","0.1288","0.096","","","0.2351","0.2573","","","","","","1.036","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504024","8.153","0.0016","17.81","0.004","9.0426","0.0018","90","","110.93","0.03","90","","1226.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Cd N10 O6 -","- C20 H28 Cd N10 O6 -","- C40 H56 Cd2 N20 O12 -","2","0.5","","Jin, Shouwen; Chen, Wanzhi; Qiu, Huayu","Syntheses and Structural Characterization of a One-Dimensional Chain, Two-Dimensional Noninterpenetrated Grid, and Three-Dimensional Polycatenane Coordination Polymers Assembled from Flexible Bidentate Imidazolyl Ligands","Crystal Growth & Design","2007","7","10","2071","","10.1021/cg060666q","","","0.71073","MoKα","","0.0608","0.0561","","","0.1561","0.161","","","","","","1.039","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504025","8.252","0.018","9.674","0.019","11.76","0.02","99.71","0.05","97.52","0.04","104.18","0.05","882","3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H42 Cd N8 O6 S2 -","- C34 H42 Cd N8 O6 S2 -","- C34 H42 Cd N8 O6 S2 -","1","0.5","","Jin, Shouwen; Chen, Wanzhi; Qiu, Huayu","Syntheses and Structural Characterization of a One-Dimensional Chain, Two-Dimensional Noninterpenetrated Grid, and Three-Dimensional Polycatenane Coordination Polymers Assembled from Flexible Bidentate Imidazolyl Ligands","Crystal Growth & Design","2007","7","10","2071","","10.1021/cg060666q","","","0.71073","MoKα","","0.075","0.0583","","","0.1543","0.1702","","","","","","1.054","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504026","13.854","0.002","13.854","0.002","17.222","0.003","90","","90","","120","","2862.6","0.8","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C30 H42 N14 Ni O6 -","- C30 H42 N14 Ni O6 -","- C90 H126 N42 Ni3 O18 -","3","0.166667","","Jin, Shouwen; Chen, Wanzhi; Qiu, Huayu","Syntheses and Structural Characterization of a One-Dimensional Chain, Two-Dimensional Noninterpenetrated Grid, and Three-Dimensional Polycatenane Coordination Polymers Assembled from Flexible Bidentate Imidazolyl Ligands","Crystal Growth & Design","2007","7","10","2071","","10.1021/cg060666q","","","0.71073","MoKα","","0.1129","0.0724","","","0.1898","0.2323","","","","","","1.02","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504027","13.267","0.002","19.111","0.004","14.501","0.003","90","","91.1","0.004","90","","3676","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 Co N6 O9 S2 -","- C34 H32 Co N6 O9 S2 -","- C136 H128 Co4 N24 O36 S8 -","4","1","","Huang, Kexuan; Xu, Zhengjiang; Li, Yizhi; Zheng, Hegen","Guest-Induced Helical Metallacyclic Chains in a Porous Coordination Solid Constructed from a Flexible Ester-Containing Ligand","Crystal Growth & Design","2007","7","2","202","","10.1021/cg060667i","","","0.71073","MoKα","","0.1444","0.0735","","","0.1594","0.1706","","","","","","1.183","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504028","18.23","0.004","14.013","0.003","7.3665","0.0017","90","","90.23","0.004","90","","1881.8","0.7","273","2","273","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C30 H30 Co N6 O11 S2 -","- C30 H30 Co N6 O11 S2 -","- C60 H60 Co2 N12 O22 S4 -","2","0.25","","Huang, Kexuan; Xu, Zhengjiang; Li, Yizhi; Zheng, Hegen","Guest-Induced Helical Metallacyclic Chains in a Porous Coordination Solid Constructed from a Flexible Ester-Containing Ligand","Crystal Growth & Design","2007","7","2","202","","10.1021/cg060667i","","","0.71073","MoKα","","0.0763","0.0471","","","0.0683","0.0716","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4504029","4.9618","0.0014","16.979","0.005","18.354","0.005","90","","91.968","0.005","90","","1545.3","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 Cu N4 O6 S -","- C11 H12 Cu N4 O6 S -","- C44 H48 Cu4 N16 O24 S4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Remarkably Stable Porous Assembly of Nanorods Derived from a Simple Metal−Organic Framework","Crystal Growth & Design","2007","7","2","205","","10.1021/cg0606693","","","0.71073","MoKα","","0.0958","0.0643","","","0.1426","0.1672","","","","","","1.031","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504030","7.5168","0.0008","21.771","0.002","12.1053","0.001","90","","122.872","0.005","90","","1663.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 Cu N4 O9 S -","- C11 H18 Cu N4 O9 S -","- C44 H72 Cu4 N16 O36 S4 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Remarkably Stable Porous Assembly of Nanorods Derived from a Simple Metal−Organic Framework","Crystal Growth & Design","2007","7","2","205","","10.1021/cg0606693","","","0.71073","MoKα","","0.0607","0.0478","","","0.1162","0.123","","","","","","1.036","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504031","10.6102","0.0003","16.4684","0.0004","13.9943","0.0005","90","","93.248","0.001","90","","2441.34","0.13","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methylamide of the 7,7-dimethyl-5-hydroxymethyl- 6-oxabicyclo[3.2.1]-1-carboxylic acid [1a]","","- C12 H21 N O3 -","- C12 H21 N O3 -","- C96 H168 N8 O24 -","8","2","","Foces-Foces, Concepción; López-Rodríguez, Matías; Pérez, Cirilo; Martín, Julio D.; Pérez-Hernández, Natalia","Role of the Molecular Conformation in the Two- and Three-Dimensional Supramolecular Structure of 10 Hydroxyl-N-alkylamides","Crystal Growth & Design","2007","7","5","905","","10.1021/cg060671u","","","0.71069","MoKα","","0.0855","0.0709","","","0.1848","0.1993","","","","","","0.992","","","","has coordinates,has disorder","301842","2025-08-21","00:37:14",""
"4504032","23.744","0.0007","11.958","0.0003","24.2389","0.0008","90","","91.506","0.002","90","","6879.8","0.4","170","2","170","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Bencylamide of 7,7-dimethyl-5-hydroxymethyl-6-oxa-bicyclo[3.2.1] -1-carboxylic acid [1d]","","- C18 H25 N O3 -","- C18 H25 N O3 -","- C288 H400 N16 O48 -","16","2","","Foces-Foces, Concepción; López-Rodríguez, Matías; Pérez, Cirilo; Martín, Julio D.; Pérez-Hernández, Natalia","Role of the Molecular Conformation in the Two- and Three-Dimensional Supramolecular Structure of 10 Hydroxyl-N-alkylamides","Crystal Growth & Design","2007","7","5","905","","10.1021/cg060671u","","","0.71073","MoKα","","0.0987","0.0804","","","0.2125","0.2465","","","","","","1.074","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504033","15.566","0.016","8.69","0.02","21.4","0.02","90","","93.521","0.007","90","","2889","8","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Methylamide of 7,7-diethyl-5-hydroxymethyl-6-oxa-bicyclo[3.2.1] -1-carboxylic acid [1e]","","- C14 H25 N O3 -","- C14 H25 N O3 -","- C112 H200 N8 O24 -","8","2","","Foces-Foces, Concepción; López-Rodríguez, Matías; Pérez, Cirilo; Martín, Julio D.; Pérez-Hernández, Natalia","Role of the Molecular Conformation in the Two- and Three-Dimensional Supramolecular Structure of 10 Hydroxyl-N-alkylamides","Crystal Growth & Design","2007","7","5","905","","10.1021/cg060671u","","","0.71073","MoKα","","0.0754","0.0617","","","0.1403","0.1484","","","","","","1.066","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504034","15.623","0.003","9.032","0.0016","21.497","0.011","90","","93.831","0.016","90","","3026.6","1.7","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethylamide of 7,7-diethyl-5-hydroxymethyl-6-oxa-bicyclo[3.2.1] -1-carboxylic acid [1f]","","- C15 H27 N O3 -","- C15 H27 N O3 -","- C120 H216 N8 O24 -","8","2","","Foces-Foces, Concepción; López-Rodríguez, Matías; Pérez, Cirilo; Martín, Julio D.; Pérez-Hernández, Natalia","Role of the Molecular Conformation in the Two- and Three-Dimensional Supramolecular Structure of 10 Hydroxyl-N-alkylamides","Crystal Growth & Design","2007","7","5","905","","10.1021/cg060671u","","","0.71073","MoKα","","0.0713","0.0641","","","0.1632","0.1722","","","","","","1.083","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504035","9.667","0.0002","12.775","0.0003","14.017","0.0004","87.533","0.002","89.161","0.001","69.512","0.001","1620.04","0.07","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","Propylamide of 7,7-diethyl-5-hydroxymethyl-6-oxabicyclo[3.2.1] -1-carboxylic acid [1g]","","- C16 H29 N O3 -","- C16 H29 N O3 -","- C64 H116 N4 O12 -","4","2","","Foces-Foces, Concepción; López-Rodríguez, Matías; Pérez, Cirilo; Martín, Julio D.; Pérez-Hernández, Natalia","Role of the Molecular Conformation in the Two- and Three-Dimensional Supramolecular Structure of 10 Hydroxyl-N-alkylamides","Crystal Growth & Design","2007","7","5","905","","10.1021/cg060671u","","","0.71073","MoKα","","0.1068","0.0874","","","0.2017","0.2345","","","","","","1.055","","","","has coordinates,has disorder","301842","2025-08-21","00:37:14",""
"4504036","24.332","0.006","24.332","0.006","12.343","0.008","90","","90","","90","","7308","5","170","2","170","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","Bencylamide of 7,7-diethyl-5-hydroxymethyl-6-oxa-bicyclo[3.2.1] -1-carboxylic acid [1h]","","- C20 H29 N O3 -","- C20 H29 N O3 -","- C320 H464 N16 O48 -","16","1","","Foces-Foces, Concepción; López-Rodríguez, Matías; Pérez, Cirilo; Martín, Julio D.; Pérez-Hernández, Natalia","Role of the Molecular Conformation in the Two- and Three-Dimensional Supramolecular Structure of 10 Hydroxyl-N-alkylamides","Crystal Growth & Design","2007","7","5","905","","10.1021/cg060671u","","","0.71073","MoKα","","0.1034","0.0955","","","0.2384","0.2441","","","","","","1.088","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504037","9.32","0.02","14.022","0.016","13.882","0.019","67.059","0.014","78.23","0.05","80.88","0.04","1629","5","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","Methylamide of 7,7-dipropyl-5-hydroxymethyl-6-oxa-bicyclo[3.2.1] -1-carboxylic acid [1i]","","- C16 H29 N O3 -","- C16 H29 N O3 -","- C64 H116 N4 O12 -","4","2","","Foces-Foces, Concepción; López-Rodríguez, Matías; Pérez, Cirilo; Martín, Julio D.; Pérez-Hernández, Natalia","Role of the Molecular Conformation in the Two- and Three-Dimensional Supramolecular Structure of 10 Hydroxyl-N-alkylamides","Crystal Growth & Design","2007","7","5","905","","10.1021/cg060671u","","","0.71073","MoKα","","0.0678","0.0561","","","0.1465","0.155","","","","","","1.086","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504038","10.237","0.0002","16.077","0.0004","21.155","0.0006","90","","90","","90","","3481.7","0.15","170","2","170","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ethylamide of 7,7-dipropyl-5-hydroxymethyl-6-oxa-bicyclo[3.2.1] -1-carboxylic acid [1j]","","- C17 H31 N O3 -","- C17 H31 N O3 -","- C136 H248 N8 O24 -","8","1","","Foces-Foces, Concepción; López-Rodríguez, Matías; Pérez, Cirilo; Martín, Julio D.; Pérez-Hernández, Natalia","Role of the Molecular Conformation in the Two- and Three-Dimensional Supramolecular Structure of 10 Hydroxyl-N-alkylamides","Crystal Growth & Design","2007","7","5","905","","10.1021/cg060671u","","","0.71073","MoKα","","0.102","0.0687","","","0.1817","0.2142","","","","","","1.09","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504039","24.666","0.0005","24.666","0.0005","10.555","0.0004","90","","90","","90","","6421.8","0.3","170","2","170","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","Ethylamide of 7,7-dicyclopropyl-5-hydroxymethyl-6-oxa-bicyclo[3.2.1] -1-carboxylic acid [1n]","","- C17 H27 N O3 -","- C17 H27 N O3 -","- C272 H432 N16 O48 -","16","1","","Foces-Foces, Concepción; López-Rodríguez, Matías; Pérez, Cirilo; Martín, Julio D.; Pérez-Hernández, Natalia","Role of the Molecular Conformation in the Two- and Three-Dimensional Supramolecular Structure of 10 Hydroxyl-N-alkylamides","Crystal Growth & Design","2007","7","5","905","","10.1021/cg060671u","","","0.71073","MoKα","","0.0941","0.0839","","","0.2093","0.2256","","","","","","1.045","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504040","15.39","0.0017","10.779","0.0017","23.333","0.01","90","","90","","90","","3870.7","1.8","170","2","170","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Bencylamide of 7,7-dicyclopropyl-5-hydroxymethyl-6- oxa-bicyclo[3.2.1] -1-carboxylic acid [1p]","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C176 H232 N8 O24 -","8","2","","Foces-Foces, Concepción; López-Rodríguez, Matías; Pérez, Cirilo; Martín, Julio D.; Pérez-Hernández, Natalia","Role of the Molecular Conformation in the Two- and Three-Dimensional Supramolecular Structure of 10 Hydroxyl-N-alkylamides","Crystal Growth & Design","2007","7","5","905","","10.1021/cg060671u","","","0.71073","MoKα","","0.0904","0.0729","","","0.1728","0.1971","","","","","","1.071","","","","has coordinates,has disorder","301842","2025-08-21","00:37:14",""
"4504041","5.0536","0.001","8.3267","0.0016","30.561","0.006","90","","92.69","0.004","90","","1284.6","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 Cd N2 O4 -","- C32 H24 Cd N2 O4 -","- C64 H48 Cd2 N4 O8 -","2","0.5","","Wu, Chuan-De; Ayyappan, Ponnaiyan; Evans, Owen R.; Lin, Wenbin","Synthesis and X-ray Structures of Cadmium Coordination Polymers Based on New Pyridine−Carboxylate and Imidazole−Carboxylate Linkers","Crystal Growth & Design","2007","7","9","1690","","10.1021/cg060677j","","","0.71073","MoKα","","0.0348","0.0292","","","0.0785","0.0915","","","","","","1.268","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504042","5.249","0.003","14.977","0.006","15.755","0.009","90","","94.57","0.02","90","","1234.6","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 Cd N2 O4 -","- C32 H24 Cd N2 O4 -","- C64 H48 Cd2 N4 O8 -","2","0.5","","Wu, Chuan-De; Ayyappan, Ponnaiyan; Evans, Owen R.; Lin, Wenbin","Synthesis and X-ray Structures of Cadmium Coordination Polymers Based on New Pyridine−Carboxylate and Imidazole−Carboxylate Linkers","Crystal Growth & Design","2007","7","9","1690","","10.1021/cg060677j","","","0.71073","MoKα","","0.0313","0.0241","","","0.0618","0.0648","","","","","","1.09","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504043","18.799","0.002","7.7538","0.001","19.174","0.003","90","","90","","90","","2794.9","0.6","566","2","566","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H12 Cd N2 O4 -","- C14 H12 Cd N2 O4 -","- C112 H96 Cd8 N16 O32 -","8","1","","Wu, Chuan-De; Ayyappan, Ponnaiyan; Evans, Owen R.; Lin, Wenbin","Synthesis and X-ray Structures of Cadmium Coordination Polymers Based on New Pyridine−Carboxylate and Imidazole−Carboxylate Linkers","Crystal Growth & Design","2007","7","9","1690","","10.1021/cg060677j","","","0.71073","MoKα","","0.0706","0.0506","","","0.1242","0.1373","","","","","","1.077","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504044","6.7085","0.0013","11.437","0.002","12.53","0.003","90","","95.41","0.03","90","","957.1","0.3","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C2 H11 B5 N2 O9 -","- C2 H11 B5 N2 O9 -","- C8 H44 B20 N8 O36 -","4","1","","Yang, Sihai; Li, Guobao; Tian, Shujian; Liao, Fuhui; Lin, Jianhua","Synthesis and Structure of [C2H10N2][B5O8(OH)]: A Nonmetal Pentaborate with Nonlinear Optical Properties","Crystal Growth & Design","2007","7","7","1246","1250","10.1021/cg0606794","","","0.71073","MoKα","","0.0325","0.0324","","","0.0818","0.0821","","","","","","1","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504045","11.101","0.002","7.2843","0.0015","7.5086","0.0015","90","","94.49","0.03","90","","605.3","0.2","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C2 H8 N2 O3 W -","- C2 H8 N2 O3 W -","- C8 H32 N8 O12 W4 -","4","1","","Yang, Sihai; Li, Guobao; Tian, Shujian; Liao, Fuhui; Lin, Jianhua","Synthesis and Structure of [C2H10N2][B5O8(OH)]: A Nonmetal Pentaborate with Nonlinear Optical Properties","Crystal Growth & Design","2007","7","7","1246","1250","10.1021/cg0606794","","","0.71073","MoKα","","0.0788","0.0785","","","0.1935","0.1949","","","","","","1","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504046","9.859","0.01","17.5","0.017","17.384","0.017","90","","91.609","0.016","90","","2998","5","153","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","hexaniobate salt","","","- H30 K Li7 Nb6 O34 -","- K Li7 Nb6 O34 -","- K4 Li28 Nb24 O136 -","4","1","","Anderson, Travis M.; Thoma, Steven G.; Bonhomme, François; Rodriguez, Mark A.; Park, Hyunsoo; Parise, John B.; Alam, Todd M.; Larentzos, James P.; Nyman, May","Lithium Polyniobates. A Lindqvist-Supported Lithium−Water Adamantane Cluster and Conversion of Hexaniobate to a Discrete Keggin Complex","Crystal Growth & Design","2007","7","4","719","","10.1021/cg0606904","","","0.71073","MoKα","","0.0573","0.0494","","","0.1499","0.1635","","","","","","0.986","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504047","20.341","0.004","10.735","0.002","21.438","0.004","90","","105.41","0.03","90","","4512.9","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- K Li8 Nb12 O52.5 Si -","- K Li8 Nb12 O52.5 Si -","- K4 Li32 Nb48 O210 Si4 -","4","1","","Anderson, Travis M.; Thoma, Steven G.; Bonhomme, François; Rodriguez, Mark A.; Park, Hyunsoo; Parise, John B.; Alam, Todd M.; Larentzos, James P.; Nyman, May","Lithium Polyniobates. A Lindqvist-Supported Lithium−Water Adamantane Cluster and Conversion of Hexaniobate to a Discrete Keggin Complex","Crystal Growth & Design","2007","7","4","719","","10.1021/cg0606904","","x-ray","0.49594","synchrotron","","0.0928","0.0649","","","0.1632","0.1723","","","","","","0.973","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504048","41.581","0.003","12.0465","0.0009","23.3707","0.0018","90","","92.224","0.001","90","","11697.7","1.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C264 H164 Cd12 N48 O58 -","- C264 H144 Cd12 N48 O58 -","- C528 H288 Cd24 N96 O116 -","2","0.25","","Wang, Xiu-Li; Bi, Yan-Feng; Lin, Hong-Yan; Liu, Guo-Cheng","Three Novel Cd(II) Metal−Organic Frameworks Constructed from Mixed Ligands of Dipyrido[3,2-d:2‘,3‘-f]quinoxaline and Benzene-dicarboxylate: From a 1-D Ribbon, 2-D Layered Network, to a 3-D Architecture","Crystal Growth & Design","2007","7","6","1086","","10.1021/cg060712m","","","0.71073","MoKα","","0.0656","0.0404","","","0.1003","0.1145","","","","","","1.061","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504049","12.617","0.006","13.153","0.006","11.107","0.005","90","","91.425","0.005","90","","1842.7","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cd N4 O5 -","- C22 H14 Cd N4 O5 -","- C88 H56 Cd4 N16 O20 -","4","1","","Wang, Xiu-Li; Bi, Yan-Feng; Lin, Hong-Yan; Liu, Guo-Cheng","Three Novel Cd(II) Metal−Organic Frameworks Constructed from Mixed Ligands of Dipyrido[3,2-d:2‘,3‘-f]quinoxaline and Benzene-dicarboxylate: From a 1-D Ribbon, 2-D Layered Network, to a 3-D Architecture","Crystal Growth & Design","2007","7","6","1086","","10.1021/cg060712m","","","0.71073","MoKα","","0.0467","0.0299","","","0.0672","0.0742","","","","","","0.995","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504050","14.8793","0.0019","13.3752","0.0017","24.586","0.003","90","","99.691","0.002","90","","4823.1","1","294","2","294","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C112 H70 Cd4 N16 O19 -","- C112 H64 Cd4 N16 O19 -","- C224 H128 Cd8 N32 O38 -","2","0.5","","Wang, Xiu-Li; Bi, Yan-Feng; Lin, Hong-Yan; Liu, Guo-Cheng","Three Novel Cd(II) Metal−Organic Frameworks Constructed from Mixed Ligands of Dipyrido[3,2-d:2‘,3‘-f]quinoxaline and Benzene-dicarboxylate: From a 1-D Ribbon, 2-D Layered Network, to a 3-D Architecture","Crystal Growth & Design","2007","7","6","1086","","10.1021/cg060712m","","","0.71073","MoKα","","0.0928","0.0418","","","0.0724","0.0874","","","","","","0.987","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504051","20.3732","0.0008","20.3732","0.0008","20.3732","0.0008","90","","90","","90","","8456.2","0.6","293","2","293","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C111 H188 In6 N6 O88 -","- C72 H24 In6 O54 -","- C144 H48 In12 O108 -","2","0.0416667","","Lin, Zheng-Zhong; Jiang, Fei-Long; Chen, Lian; Yue, Cheng-Yang; Yuan, Da-Qiang; Lan, An-Jian; Hong, Mao-Chun","A Highly Symmetric Porous Framework with Multi-intersecting Open Channels","Crystal Growth & Design","2007","7","9","1712","","10.1021/cg060732o","","","0.71073","MoKα","","0.0582","0.057","","","0.1477","0.1484","","","","","","1.055","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504052","14.05","0.003","12.517","0.003","15.377","0.003","90","","97.95","0.03","90","","2678.3","1","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 N24 O21.06 S2 Zn7 -","- C32 H30 N24 O21.06 S2 Zn7 -","- C64 H60 N48 O42.12 S4 Zn14 -","2","0.5","","Park, Hyunsoo; Krigsfeld, Gabriel; Parise, John B.","Solvothermal Synthesis and Structural Characterization of New Zn−Triazole−Sulfoisophthalate Frameworks","Crystal Growth & Design","2007","7","4","736","","10.1021/cg060741x","","x-ray","0.71073","MoKα","","0.0436","0.0401","","","0.0931","0.0947","","","","","","1.088","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504053","9.7012","0.0019","12.442","0.003","17.218","0.003","89.83","0.03","75.01","0.03","73.33","0.03","1917.5","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Zinc Sodium Triazole Sulfoisophthalate","","","- C48 H52 N16 Na2 O32.8 S4 Zn5 -","- C48 H52 N16 Na2 O32.78 S4 Zn5 -","- C48 H52 N16 Na2 O32.78 S4 Zn5 -","1","0.5","","Park, Hyunsoo; Krigsfeld, Gabriel; Parise, John B.","Solvothermal Synthesis and Structural Characterization of New Zn−Triazole−Sulfoisophthalate Frameworks","Crystal Growth & Design","2007","7","4","736","","10.1021/cg060741x","","x-ray","0.49594","synchrotron","","0.0513","0.0476","","","0.1274","0.1296","","","","","","1.124","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504054","7.7069","0.0002","8.4282","0.0002","14.4344","0.0003","79.638","0.001","74.987","0.001","72.616","0.001","858.87","0.04","173","2","173","2","","","","","","","","5","P -1","-P 1","2","piroxicam:succinic acid cocrystal (2:1)","4-Hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine -3-carboxamide-1,1-dioxide succinic acid","","- C17 H16 N3 O6 S -","- C17 H16 N3 O6 S -","- C34 H32 N6 O12 S2 -","2","1","","Childs, Scott L.; Hardcastle, Kenneth I.","Cocrystals of Piroxicam with Carboxylic Acids","Crystal Growth & Design","2007","7","7","1291","","10.1021/cg060742p","","","1.54178","CuKα","","0.03","0.0296","","","0.0817","0.0822","","","","","","1.058","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504055","6.9743","0.0006","12.3558","0.0009","14.9892","0.0014","114.045","0.006","92.672","0.007","95.105","0.006","1170.02","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","piroxicam:1-hydroxy-2-naphthoic acid cocrystal (1:1)","4-Hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine -3-carboxamide-1,1-dioxide 1-hydroxy-2-naphthoic acid","","- C26 H21 N3 O7 S -","- C26 H21 N3 O7 S -","- C52 H42 N6 O14 S2 -","2","1","","Childs, Scott L.; Hardcastle, Kenneth I.","Cocrystals of Piroxicam with Carboxylic Acids","Crystal Growth & Design","2007","7","7","1291","","10.1021/cg060742p","","","1.54178","CuKα","","0.0632","0.048","","","0.124","0.1447","","","","","","1.058","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504056","8.4286","0.0006","9.7241","0.0006","15.206","0.0009","94.674","0.003","105.723","0.003","97.953","0.003","1178.83","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","piroxicam:caprylic acid cocrystal (1:1)","4-Hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine -3-carboxamide-1,1-dioxide 1-heptanecarboxylic acid","","- C23 H29 N3 O6 S -","- C23 H29 N3 O6 S -","- C46 H58 N6 O12 S2 -","2","1","","Childs, Scott L.; Hardcastle, Kenneth I.","Cocrystals of Piroxicam with Carboxylic Acids","Crystal Growth & Design","2007","7","7","1291","","10.1021/cg060742p","","","1.54178","CuKα","","0.1379","0.0855","","","0.2029","0.2715","","","","","","1.075","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504057","15.692","0.008","16.195","0.007","6.999","0.003","90","","101.72","0.011","90","","1741.6","1.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","piroxicam:malonic acid","4-Hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine -3-carboxamide-1,1-dioxide malonic acid","","- C30 H26 N6 O8 S2 -","- C30 H26 N6 O8 S2 -","- C60 H52 N12 O16 S4 -","2","0.5","","Childs, Scott L.; Hardcastle, Kenneth I.","Cocrystals of Piroxicam with Carboxylic Acids","Crystal Growth & Design","2007","7","7","1291","","10.1021/cg060742p","","","1.54178","CuKα","","0.1243","0.0853","","","0.2426","0.2641","","","","","","1.057","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504058","9.3201","0.001","16.4366","0.0017","14.2134","0.0015","90","","100.561","0.002","90","","2140.5","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","piroxicam:4-hydroxybenzoic acid cocrystal, Form 1 (1:1)","4-Hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine -3-carboxamide-1,1-dioxide 4-hydroxybenzoic acid","","- C22 H19 N3 O7 S -","- C22 H19 N3 O7 S -","- C88 H76 N12 O28 S4 -","4","1","","Childs, Scott L.; Hardcastle, Kenneth I.","Cocrystals of Piroxicam with Carboxylic Acids","Crystal Growth & Design","2007","7","7","1291","","10.1021/cg060742p","","","0.71073","MoKα","","0.0573","0.0508","","","0.1166","0.1205","","","","","","1.07","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504059","7.4086","0.001","10.9004","0.0015","12.9268","0.0017","95.965","0.003","100.576","0.003","96.858","0.002","1010.3","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","piroxicam:4-hydroxybenzoic acid cocrystal, Form 2 (1:1)","4-Hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine -3-carboxamide-1,1-dioxide 4-hydroxybenzoic acid","","- C22 H19 N3 O7 S -","- C22 H19 N3 O7 S -","- C44 H38 N6 O14 S2 -","2","1","","Childs, Scott L.; Hardcastle, Kenneth I.","Cocrystals of Piroxicam with Carboxylic Acids","Crystal Growth & Design","2007","7","7","1291","","10.1021/cg060742p","","","0.71073","MoKα","","0.0669","0.0532","","","0.1388","0.1468","","","","","","1.132","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504060","8.7433","0.0012","10.9557","0.0015","16.633","0.002","86.335","0.003","89.03","0.002","84.809","0.003","1583.4","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","piroxicam:fumaric acid cocrystal (4:1)","4-Hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine -3-carboxamide-1,1-dioxide fumaric acid","","- C32 H28 N6 O10 S2 -","- C32 H28 N6 O10 S2 -","- C64 H56 N12 O20 S4 -","2","1","","Childs, Scott L.; Hardcastle, Kenneth I.","Cocrystals of Piroxicam with Carboxylic Acids","Crystal Growth & Design","2007","7","7","1291","","10.1021/cg060742p","","","0.71073","MoKα","","0.0592","0.0481","","","0.1138","0.12","","","","","","1.031","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504061","10.579","0.0008","21.0495","0.0016","9.2413","0.0008","90","","95.152","0.004","90","","2049.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","piroxicam:benzoic acid cocrystal (1:1)","4-Hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine -3-carboxamide-1,1-dioxide benzoic acid","","- C22 H19 N3 O6 S -","- C22 H19 N3 O6 S -","- C88 H76 N12 O24 S4 -","4","1","","Childs, Scott L.; Hardcastle, Kenneth I.","Cocrystals of Piroxicam with Carboxylic Acids","Crystal Growth & Design","2007","7","7","1291","","10.1021/cg060742p","","","1.54178","CuKα","","0.0645","0.0395","","","0.092","0.104","","","","","","1.003","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504062","10.5355","0.0013","12.7289","0.0014","13.1794","0.0014","102.048","0.006","99.758","0.007","109.836","0.008","1569.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","piroxicam:p-dioxane solvate (4:1)","4-Hydroxy-2-methyl-N-(2-pyridyl)-2H-1,2-benzothiazine -3-carboxamide-1,1-dioxide 1,4-diethylene dioxide","","- C16 H15 N3 O4.5 S -","- C16 H15 N3 O4.5 S -","- C64 H60 N12 O18 S4 -","4","2","","Childs, Scott L.; Hardcastle, Kenneth I.","Cocrystals of Piroxicam with Carboxylic Acids","Crystal Growth & Design","2007","7","7","1291","","10.1021/cg060742p","","","1.54178","CuKα","","0.1053","0.0584","","","0.1828","0.2303","","","","","","1.115","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504063","19.2377","0.0014","19.2377","0.0014","18.325","0.003","90","","90","","90","","6781.9","1.3","118","2","118","2","","","","","","","","6","P 43","P 4cw","78","","","","- C46 H73 Cu5 Gd N12 O27 -","- C46 H52 Cu5 Gd N12 O25 -","- C184 H208 Cu20 Gd4 N48 O100 -","4","1","","Zaleski, Curtis M.; Cutland-Van Noord, Annabel D.; Kampf, Jeff W.; Pecoraro, Vincent L.","Controlling the Polymorph of LnIII(NO3)3-x(OH)x[15-MCCuII(N)S-pheHA-5] Complexes through Solvent Type and LnIIIIon Choice","Crystal Growth & Design","2007","7","6","1098","","10.1021/cg060743h","","","0.71073","MoKα","","0.0413","0.0368","","","0.0964","0.099","","","","","","1.093","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504064","8.627","0.008","9.035","0.006","13.469","0.008","90","","101.92","0.05","90","","1027.2","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-ethyl-3-methylimidazolium hexafluorophosphate","","","- C6 H11 F6 N2 P -","- C6 H11 F6 N2 P -","- C24 H44 F24 N8 P4 -","4","1","","Reichert, W. Matthew; Holbrey, John D.; Swatloski, Richard P.; Gutowski, Keith E.; Visser, Ann E.; Nieuwenhuyzen, Mark; Seddon, Kenneth R.; Rogers, Robin D.","Solid-State Analysis of Low-Melting 1,3-Dialkylimidazolium Hexafluorophosphate Salts (Ionic Liquids) by Combined X-ray Crystallographic and Computational Analyses","Crystal Growth & Design","2007","7","6","1106","","10.1021/cg060746u","","","0.71073","MoKα","","0.0587","0.0416","","","0.0987","0.1077","","","","","","1.044","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504065","8.253","0.005","11.799","0.007","11.681","0.007","90","","91.853","0.011","90","","1136.9","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-ethyl-2,3-dimethylimidazolium hexafluorophosphate","","","- C7 H13 F6 N2 P -","- C7 H13 F6 N2 P -","- C28 H52 F24 N8 P4 -","4","1","","Reichert, W. Matthew; Holbrey, John D.; Swatloski, Richard P.; Gutowski, Keith E.; Visser, Ann E.; Nieuwenhuyzen, Mark; Seddon, Kenneth R.; Rogers, Robin D.","Solid-State Analysis of Low-Melting 1,3-Dialkylimidazolium Hexafluorophosphate Salts (Ionic Liquids) by Combined X-ray Crystallographic and Computational Analyses","Crystal Growth & Design","2007","7","6","1106","","10.1021/cg060746u","","","0.71073","MoKα","","0.1104","0.083","","","0.2066","0.2212","","","","","","1.075","","","","has coordinates,has disorder","301842","2025-08-21","00:37:14",""
"4504066","8.315","0.004","12.863","0.007","12.748","0.008","90","","106.87","0.04","90","","1304.8","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-ethyl-2,3,4,5-tetramethylimidazolium hexafluorophosphate","","","- C9 H17 F6 N2 P -","- C9 H17 F6 N2 P -","- C36 H68 F24 N8 P4 -","4","1","","Reichert, W. Matthew; Holbrey, John D.; Swatloski, Richard P.; Gutowski, Keith E.; Visser, Ann E.; Nieuwenhuyzen, Mark; Seddon, Kenneth R.; Rogers, Robin D.","Solid-State Analysis of Low-Melting 1,3-Dialkylimidazolium Hexafluorophosphate Salts (Ionic Liquids) by Combined X-ray Crystallographic and Computational Analyses","Crystal Growth & Design","2007","7","6","1106","","10.1021/cg060746u","","","0.71073","MoKα","","0.1402","0.0618","","","0.117","0.1483","","","","","","1.028","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504067","8.9541","0.0009","8.0375","0.0008","9.6548","0.0009","90","","116.416","0.002","90","","622.29","0.11","153","2","153","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","1-sec-butyl-3-methylimidazolium hexafluorophosphate","","","- C8 H15 F6 N2 P -","- C8 H15 F5.96 N2 P -","- C16 H30 F11.92 N4 P2 -","2","0.5","","Reichert, W. Matthew; Holbrey, John D.; Swatloski, Richard P.; Gutowski, Keith E.; Visser, Ann E.; Nieuwenhuyzen, Mark; Seddon, Kenneth R.; Rogers, Robin D.","Solid-State Analysis of Low-Melting 1,3-Dialkylimidazolium Hexafluorophosphate Salts (Ionic Liquids) by Combined X-ray Crystallographic and Computational Analyses","Crystal Growth & Design","2007","7","6","1106","","10.1021/cg060746u","","","0.71073","MoKα","","0.0833","0.0738","","","0.2147","0.2261","","","","","","1.108","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504068","8.139","0.0008","8.4796","0.0008","9.1333","0.0009","90","","103.697","0.002","90","","612.41","0.1","153","2","153","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","1-tert-butyl-3-methylimidazolium hexafluorophosphate","","","- C8 H15 F6 N2 P -","- C8 H15 F6 N2 P -","- C16 H30 F12 N4 P2 -","2","0.5","","Reichert, W. Matthew; Holbrey, John D.; Swatloski, Richard P.; Gutowski, Keith E.; Visser, Ann E.; Nieuwenhuyzen, Mark; Seddon, Kenneth R.; Rogers, Robin D.","Solid-State Analysis of Low-Melting 1,3-Dialkylimidazolium Hexafluorophosphate Salts (Ionic Liquids) by Combined X-ray Crystallographic and Computational Analyses","Crystal Growth & Design","2007","7","6","1106","","10.1021/cg060746u","","","0.71073","MoKα","","0.0536","0.0431","","","0.1166","0.1232","","","","","","1.057","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504069","9.737","0.003","9.737","0.003","14.161","0.005","90","","90","","90","","1342.6","0.8","173","2","173","2","","","","","","","","5","P 42/n c m :2","-P 4ac 2ac","138","1,3-di-iso-propylimidazolium hexafluorophosphate","","","- C9 H17 F6 N2 P -","- C9 H17 F6 N2 P -","- C36 H68 F24 N8 P4 -","4","0.25","","Reichert, W. Matthew; Holbrey, John D.; Swatloski, Richard P.; Gutowski, Keith E.; Visser, Ann E.; Nieuwenhuyzen, Mark; Seddon, Kenneth R.; Rogers, Robin D.","Solid-State Analysis of Low-Melting 1,3-Dialkylimidazolium Hexafluorophosphate Salts (Ionic Liquids) by Combined X-ray Crystallographic and Computational Analyses","Crystal Growth & Design","2007","7","6","1106","","10.1021/cg060746u","","","0.71073","MoKα","","0.034","0.0284","","","0.0844","0.0874","","","","","","1.115","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504070","20.4684","0.0014","9.8087","0.0006","9.3107","0.0006","90","","99.339","0.001","90","","1844.5","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-decyl-3-methylimidazolium hexafluorophosphate","","","- C14 H27 F6 N2 P -","- C14 H27 F6 N2 P -","- C56 H108 F24 N8 P4 -","4","1","","Reichert, W. Matthew; Holbrey, John D.; Swatloski, Richard P.; Gutowski, Keith E.; Visser, Ann E.; Nieuwenhuyzen, Mark; Seddon, Kenneth R.; Rogers, Robin D.","Solid-State Analysis of Low-Melting 1,3-Dialkylimidazolium Hexafluorophosphate Salts (Ionic Liquids) by Combined X-ray Crystallographic and Computational Analyses","Crystal Growth & Design","2007","7","6","1106","","10.1021/cg060746u","","","0.71073","MoKα","","0.0509","0.0436","","","0.109","0.115","","","","","","1.08","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504071","24.2881","0.001","9.8845","0.0005","9.2292","0.0004","90","","90.508","0.001","90","","2215.62","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-tetradecyl-3-methylimidazolium hexafluorophosphate","","","- C18 H35 F6 N2 P -","- C18 H35 F6 N2 P -","- C72 H140 F24 N8 P4 -","4","1","","Reichert, W. Matthew; Holbrey, John D.; Swatloski, Richard P.; Gutowski, Keith E.; Visser, Ann E.; Nieuwenhuyzen, Mark; Seddon, Kenneth R.; Rogers, Robin D.","Solid-State Analysis of Low-Melting 1,3-Dialkylimidazolium Hexafluorophosphate Salts (Ionic Liquids) by Combined X-ray Crystallographic and Computational Analyses","Crystal Growth & Design","2007","7","6","1106","","10.1021/cg060746u","","","0.71073","MoKα","","0.1249","0.0511","","","0.0927","0.1182","","","","","","1.004","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504072","12.8865","0.0015","16.3849","0.0019","21.553","0.003","90","","104.326","0.002","90","","4409.3","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Cl4 H74 Na6 Ni6 O98 W18 -","- Cl4 Na6 Ni6 O98 W18 -","- Cl8 Na12 Ni12 O196 W36 -","2","0.5","","Wang, Jingping; Ma, Pengtao; Shen, Yue; Niu, Jingyang","A Novel Polyoxotungstate [Ni4(H2O)2(α-NiW9O34)2]16-Based on an Old Structure with a New Component","Crystal Growth & Design","2007","7","4","603","","10.1021/cg060751y","","","0.71073","MoKα","","0.0717","0.0512","","","0.1225","0.1316","","","","","","0.994","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504073","7.418","0.003","18.016","0.005","14.851","0.003","90","","90","","90","","1984.7","1.1","293","2","293","2","","","","","","","","5","C c m 21","C 2c -2c","36","","","","- C10 H26 Mn O15 S2 -","- C10 H20 Mn O15 S2 -","- C40 H80 Mn4 O60 S8 -","4","0.5","","Braga, Dario; Gandolfi, Massimo; Lusi, Matteo; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia","Solution and Solid-State Preparation of 18-Crown-6 and 15-Crown-5 Adducts of Hydrogen Sulfate Salts and an Investigation of the Reversible Dehydration Processes","Crystal Growth & Design","2007","7","5","919","","10.1021/cg0607598","","","0.71073","MoKα","","0.0555","0.054","","","0.1516","0.1546","","","","","","1.038","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504074","7.511","0.003","18.212","0.006","14.92","0.006","90","","90","","90","","2040.9","1.3","293","2","293","2","","","","","","","","5","C c m 21","C 2c -2c","36","","","","- C10 H26 Cd O15 S2 -","- C10 H20 Cd O15 S2 -","- C40 H80 Cd4 O60 S8 -","4","0.5","","Braga, Dario; Gandolfi, Massimo; Lusi, Matteo; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia","Solution and Solid-State Preparation of 18-Crown-6 and 15-Crown-5 Adducts of Hydrogen Sulfate Salts and an Investigation of the Reversible Dehydration Processes","Crystal Growth & Design","2007","7","5","919","","10.1021/cg0607598","","","0.71073","MoKα","","0.0566","0.0541","","","0.1271","0.131","","","","","","0.969","","","","has coordinates,has disorder","179575","2020-10-21","18:00:00",""
"4504075","7.6336","0.0004","10.5457","0.0005","12.9774","0.0006","103.899","0.001","105.679","0.001","96.469","0.001","958.59","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H30 O13 S -","- C10 H30 O13 S -","- C20 H60 O26 S2 -","2","1","","Braga, Dario; Gandolfi, Massimo; Lusi, Matteo; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia","Solution and Solid-State Preparation of 18-Crown-6 and 15-Crown-5 Adducts of Hydrogen Sulfate Salts and an Investigation of the Reversible Dehydration Processes","Crystal Growth & Design","2007","7","5","919","","10.1021/cg0607598","","","0.71073","MoKα","","0.0966","0.0615","","","0.1701","0.2019","","","","","","0.979","","","","has coordinates,has disorder","301842","2025-08-21","00:37:14",""
"4504076","10.336","0.005","10.418","0.006","10.648","0.003","76.58","0.04","77.71","0.03","76.96","0.04","1070.8","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H26 O14 Pb S2 -","- C12 H26 O14 Pb S2 -","- C24 H52 O28 Pb2 S4 -","2","1","","Braga, Dario; Gandolfi, Massimo; Lusi, Matteo; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia","Solution and Solid-State Preparation of 18-Crown-6 and 15-Crown-5 Adducts of Hydrogen Sulfate Salts and an Investigation of the Reversible Dehydration Processes","Crystal Growth & Design","2007","7","5","919","","10.1021/cg0607598","","","0.71073","MoKα","","0.0399","0.0348","","","0.0897","0.0927","","","","","","1.037","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504077","11.079","0.004","8.22","0.004","11.525","0.005","90","","112.95","0.05","90","","966.5","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H30 O12 S -","- C12 H24 O12 S -","- C24 H48 O24 S2 -","2","1","","Braga, Dario; Gandolfi, Massimo; Lusi, Matteo; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia","Solution and Solid-State Preparation of 18-Crown-6 and 15-Crown-5 Adducts of Hydrogen Sulfate Salts and an Investigation of the Reversible Dehydration Processes","Crystal Growth & Design","2007","7","5","919","","10.1021/cg0607598","","","0.71073","MoKα","","0.2205","0.0883","","","0.2382","0.3356","","","","","","0.896","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504078","7.317","0.003","19.835","0.009","11.93","0.003","90","","94.86","0.03","90","","1725.2","1.1","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-bis[(imidazol-1-yl)methyl]-4-methylphenol-oxalic acid","","- C17 H18 N4 O5 -","- C17 H18 N4 O5 -","- C68 H72 N16 O20 -","4","1","","Wang, Wen-Hai; Xi, Pei-Hua; Su, Xiao-Yu; Lan, Jing-Bo; Mao, Zhi-Hua; You, Jing-Song; Xie, Ru-Gang","Supramolecular Assemblies of Multifunctional Diimidazole and Dicarboxylic Acids via Various Hydrogen Bonds and X···π (X = π, CH) Interactions","Crystal Growth & Design","2007","7","4","741","","10.1021/cg060764b","","","0.71073","MoKα","","0.1013","0.0452","","","0.1059","0.1262","","","","","","0.981","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504079","7.319","0.004","11.978","0.005","12.368","0.008","107.28","0.04","95.95","0.05","90.14","0.04","1029.1","1","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","2,6-bis[(imidazol-1-yl)methyl]-4-methylphenol-isophthalic acid","","- C23 H22 N4 O5 -","- C23 H22 N4 O5 -","- C46 H44 N8 O10 -","2","1","","Wang, Wen-Hai; Xi, Pei-Hua; Su, Xiao-Yu; Lan, Jing-Bo; Mao, Zhi-Hua; You, Jing-Song; Xie, Ru-Gang","Supramolecular Assemblies of Multifunctional Diimidazole and Dicarboxylic Acids via Various Hydrogen Bonds and X···π (X = π, CH) Interactions","Crystal Growth & Design","2007","7","4","741","","10.1021/cg060764b","","","0.71073","MoKα","","0.1057","0.061","","","0.1867","0.215","","","","","","1.086","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504080","7.319","0.003","12.089","0.004","12.159","0.003","77.06","0.03","89.94","0.03","77.35","0.03","1021.7","0.6","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 N4 O5 -","- C23 H22 N4 O5 -","- C46 H44 N8 O10 -","2","1","","Wang, Wen-Hai; Xi, Pei-Hua; Su, Xiao-Yu; Lan, Jing-Bo; Mao, Zhi-Hua; You, Jing-Song; Xie, Ru-Gang","Supramolecular Assemblies of Multifunctional Diimidazole and Dicarboxylic Acids via Various Hydrogen Bonds and X···π (X = π, CH) Interactions","Crystal Growth & Design","2007","7","4","741","","10.1021/cg060764b","","","0.71073","MoKα","","0.1135","0.0703","","","0.1711","0.1944","","","","","","0.94","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504081","19.704","0.007","7.299","0.002","25.698","0.007","90","","108.3","0.03","90","","3509","1.9","292","2","292","2","","","","","","","","4","A 1 2/a 1","-A 2ya","15","","","","- C38 H38 N8 O6 -","- C38 H38 N8 O6 -","- C152 H152 N32 O24 -","4","0.5","","Wang, Wen-Hai; Xi, Pei-Hua; Su, Xiao-Yu; Lan, Jing-Bo; Mao, Zhi-Hua; You, Jing-Song; Xie, Ru-Gang","Supramolecular Assemblies of Multifunctional Diimidazole and Dicarboxylic Acids via Various Hydrogen Bonds and X···π (X = π, CH) Interactions","Crystal Growth & Design","2007","7","4","741","","10.1021/cg060764b","","","0.71073","MoKα","","0.1635","0.0689","","","0.169","0.2101","","","","","","0.972","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504082","5.887","0.01","19.37","0.03","31.41","0.05","90","","92.16","0.03","90","","3579","10","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Venlafaxine hydrochloride","","","- C17 H28 Cl N O2 -","- C17 H28 Cl N O2 -","- C136 H224 Cl8 N8 O16 -","8","2","","Roy, Saikat; Bhatt, Prashant M.; Nangia, Ashwini; Kruger, Gert J.","Stable Polymorph of Venlafaxine Hydrochloride by Solid-to-Solid Phase Transition at High Temperature","Crystal Growth & Design","2007","7","3","476","","10.1021/cg0607699","","","0.71073","MoKα","","0.3293","0.1073","","","0.2029","0.3127","","","","","","0.95","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504083","6.321","0.002","6.5597","0.0011","8.38","0.004","79.82","0.03","102.34","0.03","90.94","0.02","334","0.2","293","","293","","","","","","","","F.P.A.Fabbiani","4","P -1","-P 1","2","","","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C12 H20 N4 O4 -","2","1","","Fabbiani, Francesca P. A.; Allan, David R.; David, William I. F.; Davidson, Alistair J.; Lennie, Alistair R.; Parsons, Simon; Pulham, Colin R.; Warren, John E.","High-Pressure Studies of Pharmaceuticals: An Exploration of the Behavior of Piracetam","Crystal Growth & Design","2007","7","6","1115","","10.1021/cg0607710","","","0.6765","Synchrotron","","0.1381","0.1149","","0.3004","0.2806","0.3004","","","","","","1.0642","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504084","6.442","0.002","6.353","0.0011","8.737","0.003","81.43","0.03","112.88","0.02","91.38","0.02","325.53","0.17","293","","293","","","","","","","","F.P.A.Fabbiani","4","P -1","-P 1","2","","","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C12 H20 N4 O4 -","2","1","","Fabbiani, Francesca P. A.; Allan, David R.; David, William I. F.; Davidson, Alistair J.; Lennie, Alistair R.; Parsons, Simon; Pulham, Colin R.; Warren, John E.","High-Pressure Studies of Pharmaceuticals: An Exploration of the Behavior of Piracetam","Crystal Growth & Design","2007","7","6","1115","","10.1021/cg0607710","","","0.6765","Synchrotron","","0.1184","0.0881","","0.2297","0.2096","0.2297","","","","","","1.0488","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504085","6.3903","0.0007","6.2932","0.0011","8.645","0.0016","81.106","0.012","113.68","0.012","91.295","0.011","314.26","0.09","293","","293","","","","","","","","F.P.A.Fabbiani","4","P -1","-P 1","2","","","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C12 H20 N4 O4 -","2","1","","Fabbiani, Francesca P. A.; Allan, David R.; David, William I. F.; Davidson, Alistair J.; Lennie, Alistair R.; Parsons, Simon; Pulham, Colin R.; Warren, John E.","High-Pressure Studies of Pharmaceuticals: An Exploration of the Behavior of Piracetam","Crystal Growth & Design","2007","7","6","1115","","10.1021/cg0607710","","","0.6765","Synchrotron","","0.0924","0.0801","","0.207","0.1952","0.207","","","","","","1.0597","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504086","6.263","0.002","6.2063","0.001","8.412","0.003","80.77","0.03","114.69","0.02","91.12","0.02","292.83","0.16","293","","293","","","","","","","","F.P.A.Fabbiani","4","P -1","-P 1","2","","","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C12 H20 N4 O4 -","2","1","","Fabbiani, Francesca P. A.; Allan, David R.; David, William I. F.; Davidson, Alistair J.; Lennie, Alistair R.; Parsons, Simon; Pulham, Colin R.; Warren, John E.","High-Pressure Studies of Pharmaceuticals: An Exploration of the Behavior of Piracetam","Crystal Growth & Design","2007","7","6","1115","","10.1021/cg0607710","","","0.6765","Synchrotron","","0.1023","0.0882","","0.2185","0.208","0.2185","","","","","","1.0634","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504087","6.169","0.002","6.1602","0.0011","8.287","0.003","80.41","0.03","115.33","0.03","91.15","0.02","280.21","0.16","293","","293","","","","","","","","F.P.A.Fabbiani","4","P -1","-P 1","2","","","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C12 H20 N4 O4 -","2","1","","Fabbiani, Francesca P. A.; Allan, David R.; David, William I. F.; Davidson, Alistair J.; Lennie, Alistair R.; Parsons, Simon; Pulham, Colin R.; Warren, John E.","High-Pressure Studies of Pharmaceuticals: An Exploration of the Behavior of Piracetam","Crystal Growth & Design","2007","7","6","1115","","10.1021/cg0607710","","","0.6765","Synchrotron","","0.1108","0.0915","","0.2401","0.2204","0.2401","","","","","","1.0636","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504088","6.217","0.002","7.0356","0.0009","10.0593","0.0013","84.711","0.012","76.83","0.02","75.77","0.02","414.97","0.16","293","2","293","2","","","","","","","F.P.A.Fabbiani","4","P -1","-P 1","2","","","","- C6 H14 N2 O4 -","- C6 H14 N2 O4 -","- C12 H28 N4 O8 -","2","1","","Fabbiani, Francesca P. A.; Allan, David R.; David, William I. F.; Davidson, Alistair J.; Lennie, Alistair R.; Parsons, Simon; Pulham, Colin R.; Warren, John E.","High-Pressure Studies of Pharmaceuticals: An Exploration of the Behavior of Piracetam","Crystal Growth & Design","2007","7","6","1115","","10.1021/cg0607710","","","0.6765","Synchrotron","","0.0461","0.0349","","0.0907","0.0833","0.0907","","","","","","1.0588","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504089","16.931","0.004","16.931","0.004","16.931","0.004","95.34","0.004","95.34","0.004","95.34","0.004","4786","2","298","2","298","2","","","","","","","","5","R -3 :R","-P 3*","148","","","","- C28 H29.67 N11 O7.33 Zn -","- C28 H29.67 N11 O7.33333 Zn -","- C168 H178.02 N66 O44 Zn6 -","6","1","","Chi, Yingnan; Huang, Kunlin; Zhang, Shaowen; Cui, Fengyun; Xu, Yanqing; Hu, Changwen","Self-Assembly of a CsCl-like 3D Supramolecular Network from [Zn6(HL)6(H2L)6]6+Metallamacrocycles and (H2O)20Clusters (H2L = 4-(2-Pyridyl)-6-(4-pyridyl)-2-aminopyrimidine)","Crystal Growth & Design","2007","7","12","2449","","10.1021/cg0607809","","","0.71073","MoKα","","0.2774","0.0778","","","0.1751","0.283","","","","","","0.953","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4504090","8.4834","0.0017","9.1242","0.0018","12.712","0.003","96.1","0.03","104.73","0.03","110.41","0.03","871","0.4","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","9-(4-methoxyphenyl)-9H-xanthen-9-ol cyclohexane clathrate","","- C23 H22 O3 -","- C23 H22 O3 -","- C46 H44 O6 -","2","1","","Jacobs, Ayesha; Faleni, Nobathembu; Nassimbeni, Luigi R.; Taljaard, Jana H.","Inclusion by a Xanthenol Host: Relating Structure to the Kinetics of Desolvation and Guest Exchange","Crystal Growth & Design","2007","7","6","1003","","10.1021/cg060792u","","","0.71073","MoKα","","0.0523","0.0383","","","0.0955","0.1026","","","","","","1.044","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504091","8.4075","0.0017","9.0908","0.0018","12.442","0.003","97.04","0.03","101.33","0.03","111.15","0.03","849.9","0.4","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","9-(4-methoxyphenyl)-9H-xanthen-9-ol dioxane clathrate","","- C22 H20 O4 -","- C22 H20 O4 -","- C44 H40 O8 -","2","1","","Jacobs, Ayesha; Faleni, Nobathembu; Nassimbeni, Luigi R.; Taljaard, Jana H.","Inclusion by a Xanthenol Host: Relating Structure to the Kinetics of Desolvation and Guest Exchange","Crystal Growth & Design","2007","7","6","1003","","10.1021/cg060792u","","","0.71073","MoKα","","0.0682","0.0396","","","0.0854","0.0943","","","","","","1.03","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504092","9.0685","0.0018","9.6815","0.0019","12.311","0.003","72.36","0.03","73.95","0.03","78.05","0.03","980.9","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","9-(4-methoxyphenyl)-9H-xanthen-9-ol dimethylforamide clathrate","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C46 H46 N2 O8 -","2","1","","Jacobs, Ayesha; Faleni, Nobathembu; Nassimbeni, Luigi R.; Taljaard, Jana H.","Inclusion by a Xanthenol Host: Relating Structure to the Kinetics of Desolvation and Guest Exchange","Crystal Growth & Design","2007","7","6","1003","","10.1021/cg060792u","","","0.71073","MoKα","","0.0607","0.0416","","","0.101","0.1096","","","","","","1.033","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504093","6.72548","0.00007","6.77937","0.00014","17.2898","0.0005","88.255","0.001","89.478","0.002","62.598","0.001","699.53","0.03","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- H22 Mg O15 S -","- H22 Mg O15 S -","- H44 Mg2 O30 S2 -","2","1","","Genceli, F. Elif; Lutz, Martin; Spek, Anthony L.; Witkamp, Geert-Jan","Crystallization and Characterization of a New Magnesium Sulfate Hydrate MgSO4·11H2O","Crystal Growth & Design","2007","7","12","2460","","10.1021/cg060794e","","","0.71073","MoKα","","0.0313","0.0222","","","0.0545","0.0577","","","","","","1.084","","","","has coordinates","179575","2020-10-21","18:00:00",""
"4504094","10.1936","0.0015","9.0611","0.0013","20.667","0.003","90","","102.475","0.003","90","","1863.8","0.5","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Zn-5,15-di(4-methylphenyl)-10,20-di(4-nitrophenyl)porphyrin","","- C46 H30 N6 O4 Zn -","- C46 H30 N6 O4 Zn -","- C92 H60 N12 O8 Zn2 -","2","0.5","","Adilov, Salimgerey; Thalladi, Venkat R.","Layered Porphyrin Coordination Polymers Based on Zinc···Nitro Recognition: Reversible Intercalation of Nitrobenzene","Crystal Growth & Design","2007","7","3","481","","10.1021/cg0607957","","","0.71073","MoKα","","0.075","0.0624","","","0.1881","0.2015","","","","","","1.033","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504095","11.321","0.002","11.925","0.002","18.146","0.003","90","","94.312","0.004","90","","2442.8","0.7","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Zn-5,15-di(4-methylphenyl)-10,20-di(4-nitrophenyl) porphyrin-Nitrobenzene Solvate","","- C58 H40 N8 O8 Zn -","- C58 H40 N8 O8 Zn -","- C116 H80 N16 O16 Zn2 -","2","0.5","","Adilov, Salimgerey; Thalladi, Venkat R.","Layered Porphyrin Coordination Polymers Based on Zinc···Nitro Recognition: Reversible Intercalation of Nitrobenzene","Crystal Growth & Design","2007","7","3","481","","10.1021/cg0607957","","","0.71073","MoKα","","0.0986","0.0663","","","0.1506","0.1661","","","","","","1.003","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504096","7.371","0.006","8.701","0.004","9.303","0.005","90","","109.05","0.04","90","","564","0.6","123","2","123","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","4-Ethynylpyridine","4-Ethynylpyridine","","- C7 H5 N -","- C7 H5 N -","- C28 H20 N4 -","4","0.5","","Thalladi, Venkat R.; Dabros, Marta; Gehrke, Annette; Weiss, Hans-Christoph; Boese, Roland","Crystal Engineering with ⋮C−H···N and C−H···N Hydrogen Bonds","Crystal Growth & Design","2007","7","4","598","","10.1021/cg060806w","","","0.71073","MoKα","","0.0971","0.0876","","","0.2181","0.2365","","","","","","1.066","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504097","3.8294","0.0012","6.0334","0.0017","12.139","0.005","90","","96.23","0.03","90","","278.81","0.17","135","2","135","2","","","","","","","","3","P 1 c 1","P -2yc","7","3-Ethynylpyridine","3-Ethynylpyridine","","- C7 H5 N -","- C7 H5 N -","- C14 H10 N2 -","2","1","","Thalladi, Venkat R.; Dabros, Marta; Gehrke, Annette; Weiss, Hans-Christoph; Boese, Roland","Crystal Engineering with ⋮C−H···N and C−H···N Hydrogen Bonds","Crystal Growth & Design","2007","7","4","598","","10.1021/cg060806w","","","0.71073","MoKα","","0.0785","0.0756","","","0.191","0.1964","","","","","","1.043","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504098","8.329","0.003","17.494","0.008","8.327","0.003","90","","90","","90","","1213.3","0.8","180","2","180","2","","","","","","","","3","P n a 21","P 2c -2n","33","2-Ethynylpyridine","2-Ethynylpyridine","","- C7 H5 N -","- C7 H5 N -","- C56 H40 N8 -","8","2","","Thalladi, Venkat R.; Dabros, Marta; Gehrke, Annette; Weiss, Hans-Christoph; Boese, Roland","Crystal Engineering with ⋮C−H···N and C−H···N Hydrogen Bonds","Crystal Growth & Design","2007","7","4","598","","10.1021/cg060806w","","","0.71073","MoKα","","0.0961","0.0551","","","0.1199","0.1385","","","","","","1.036","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504099","3.871","0.0006","13.89","0.002","10.2043","0.0015","90","","94.547","0.004","90","","546.94","0.14","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","5-Ethynylpyrimidine","5-Ethynylpyrimidine","","- C6 H4 N2 -","- C6 H4 N2 -","- C24 H16 N8 -","4","1","","Thalladi, Venkat R.; Dabros, Marta; Gehrke, Annette; Weiss, Hans-Christoph; Boese, Roland","Crystal Engineering with ⋮C−H···N and C−H···N Hydrogen Bonds","Crystal Growth & Design","2007","7","4","598","","10.1021/cg060806w","","","0.71073","MoKα","","0.0847","0.0622","","","0.1679","0.1858","","","","","","1.035","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504100","7.631","0.002","9.3667","0.0013","9.5372","0.0013","110.347","0.002","102.058","0.003","109.887","0.003","558.13","0.18","120","2","120","2","","","","","","","","4","P -1","-P 1","2","benzene-1,3,5-triphosphonic acid","benzene-1,3,5-triphosphonic acid","","- C6 H9 O9 P3 -","- C6 H9 O9 P3 -","- C12 H18 O18 P6 -","2","1","","Hix, Gary B.; Caignaert, Vincent; Rueff, Jean-Michel; Le Pluart, Loïc; Warren, John E.; Jaffrès, Paul-Alain","A Supramolecular Ladderlike Structure Formed by the Auto-Assembly of Benzene-1,3,5-triphosphonic Acid","Crystal Growth & Design","2007","7","2","208","","10.1021/cg060813k","","","0.6904","synchrotron","","0.0702","0.051","","","0.1269","0.1373","","","","","","1.023","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504101","25.22","0.02","10.017","0.007","15.757","0.011","90","","103.794","0.011","90","","3866","5","173.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14.5 H15 Hg I2 N4 O0.5 -","- C14.5 H15 Hg I2 N4 O0.5 -","- C116 H120 Hg8 I16 N32 O4 -","8","1","","Wang, Xiao-Feng; Lv, Yang; Okamura, Taka-aki; Kawaguchi, Hiroyuki; Wu, Gang; Sun, Wei-Yin; Ueyama, Norikazu","Structure Variation of Mercury(II) Halide Complexes with Different Imidazole-Containing Ligands","Crystal Growth & Design","2007","7","6","1125","","10.1021/cg060814c","","","0.7107","MoKα","","","0.058","","","","0.209","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504102","12.93","0.005","9.969","0.004","15.716","0.006","90","","90.365","0.008","90","","2025.7","1.4","173.1","","","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C16 H17 Br3 Hg N4 O0.5 -","- C16 H13 Br3 Hg N4 O0.5 -","- C64 H52 Br12 Hg4 N16 O2 -","4","1","","Wang, Xiao-Feng; Lv, Yang; Okamura, Taka-aki; Kawaguchi, Hiroyuki; Wu, Gang; Sun, Wei-Yin; Ueyama, Norikazu","Structure Variation of Mercury(II) Halide Complexes with Different Imidazole-Containing Ligands","Crystal Growth & Design","2007","7","6","1125","","10.1021/cg060814c","","","0.7107","MoKα","","","0.038","","","","0.093","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504103","8.419","0.003","9.236","0.003","12.274","0.004","102.489","0.003","95.987","0.005","91.462","0.003","925.6","0.5","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 Br Hg I2 N4 -","- C14 H13 Br Hg I2 N4 -","- C28 H26 Br2 Hg2 I4 N8 -","2","1","","Wang, Xiao-Feng; Lv, Yang; Okamura, Taka-aki; Kawaguchi, Hiroyuki; Wu, Gang; Sun, Wei-Yin; Ueyama, Norikazu","Structure Variation of Mercury(II) Halide Complexes with Different Imidazole-Containing Ligands","Crystal Growth & Design","2007","7","6","1125","","10.1021/cg060814c","","","0.7107","MoKα","","","0.037","","","","0.125","","","","","","0.997","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504104","21.676","0.017","15.86","0.011","18.097","0.012","90","","121.5","0.02","90","","5305","7","200","","200","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[Hg3I6(F1)2]-2DMF","","- C36 H38 Hg3 I6 N14 O2 -","- C36 H38 Hg3 I6 N14 O2 -","- C144 H152 Hg12 I24 N56 O8 -","4","0.5","","Wang, Xiao-Feng; Lv, Yang; Okamura, Taka-aki; Kawaguchi, Hiroyuki; Wu, Gang; Sun, Wei-Yin; Ueyama, Norikazu","Structure Variation of Mercury(II) Halide Complexes with Different Imidazole-Containing Ligands","Crystal Growth & Design","2007","7","6","1125","","10.1021/cg060814c","","","0.71075","MoKα","","0.0625","0.034","","","0.0366","0.0397","","","","","","0.95","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504105","8.913","0.003","13.306","0.005","37.689","0.011","80.808","0.012","87.933","0.012","72.027","0.013","4197","2","200","","200","","","","","","","","","6","P -1","-P 1","2","","[Hg3I6(timpt)2]-4(H2O)","","- C66 H62 Hg3 I6 N18 O4 -","- C66 H54 Hg3 I6 N18 O4 -","- C132 H108 Hg6 I12 N36 O8 -","2","1","","Wang, Xiao-Feng; Lv, Yang; Okamura, Taka-aki; Kawaguchi, Hiroyuki; Wu, Gang; Sun, Wei-Yin; Ueyama, Norikazu","Structure Variation of Mercury(II) Halide Complexes with Different Imidazole-Containing Ligands","Crystal Growth & Design","2007","7","6","1125","","10.1021/cg060814c","","","0.71075","MoKα","","0.1319","0.0765","","","0.1991","0.2273","","","","","","1.037","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504106","11.585","0.005","11.901","0.003","19.438","0.005","90","","93.407","0.014","90","","2675.2","1.5","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Br4 Hg2 N6 -","- C21 H24 Br4 Hg2 N6 -","- C84 H96 Br16 Hg8 N24 -","4","1","","Wang, Xiao-Feng; Lv, Yang; Okamura, Taka-aki; Kawaguchi, Hiroyuki; Wu, Gang; Sun, Wei-Yin; Ueyama, Norikazu","Structure Variation of Mercury(II) Halide Complexes with Different Imidazole-Containing Ligands","Crystal Growth & Design","2007","7","6","1125","","10.1021/cg060814c","","","0.71075","MoKα","","0.0702","0.0481","","","0.1021","0.1103","","","","","","1.038","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504107","28.808","0.012","11.585","0.004","19.238","0.009","90","","127.723","0.012","90","","5078","4","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Hg2Cl4(titmb)]","","- C21 H24 Cl4 Hg2 N6 -","- C21 H24 Cl4 Hg2 N6 -","- C168 H192 Cl32 Hg16 N48 -","8","1","","Wang, Xiao-Feng; Lv, Yang; Okamura, Taka-aki; Kawaguchi, Hiroyuki; Wu, Gang; Sun, Wei-Yin; Ueyama, Norikazu","Structure Variation of Mercury(II) Halide Complexes with Different Imidazole-Containing Ligands","Crystal Growth & Design","2007","7","6","1125","","10.1021/cg060814c","","","0.71075","MoKα","","0.1272","0.0871","","","0.1803","0.1979","","","","","","1.055","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504108","10.224","0.002","32.116","0.006","21.038","0.004","90","","97.93","0.03","90","","6842","2","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C60 H40 Cl4 Cu5 Gd3 N10 O27 -","- C60 H40 Cl4 Cu5 Gd3 N10 O27 -","- C240 H160 Cl16 Cu20 Gd12 N40 O108 -","4","0.5","","Luo, Feng; Hu, De-xin; Xue, Lin; Che, Yun-xia; Zheng, Ji-min","Pillared 3d−4f Frameworks with Rare 3D Architecture Showing the Coexistence of Ferromagnetic and Antiferromagnetic Interactions between Gadolinium Ions","Crystal Growth & Design","2007","7","5","851","","10.1021/cg060823l","","","0.71073","MoKα","","0.049","0.032","","","0.0682","0.0726","","","","","","1.076","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504109","12.6161","0.0016","7.27","0.0006","13.6053","0.0017","90","","104.746","0.006","90","","1206.8","0.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 F6 Ga2 N2 O3 Se -","- C6 H14 F6 Ga2 N2 O3 Se -","- C24 H56 F24 Ga8 N8 O12 Se4 -","4","1","","Feng, Mei-Ling; Li, Xiu-Ling; Mao, Jiang-Gao","New Organically Templated Gallium and Indium Selenites or Selenates with One-, Two-, and Three-Dimensional Structures","Crystal Growth & Design","2007","7","4","770","","10.1021/cg060824d","","","0.71073","MoKα","","0.0646","0.0524","","","0.1318","0.1376","","","","","","1.17","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504110","9.1107","0.0006","8.0382","0.0006","10.8302","0.0009","90","","90.045","0.007","90","","793.13","0.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C2 H10 F3 Ga N2 O3 Se -","- C2 H10 F3 Ga N2 O3 Se -","- C8 H40 F12 Ga4 N8 O12 Se4 -","4","1","","Feng, Mei-Ling; Li, Xiu-Ling; Mao, Jiang-Gao","New Organically Templated Gallium and Indium Selenites or Selenates with One-, Two-, and Three-Dimensional Structures","Crystal Growth & Design","2007","7","4","770","","10.1021/cg060824d","","","0.71073","MoKα","","0.0407","0.035","","","0.0886","0.0923","","","","","","1.011","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504111","9.3066","0.0005","8.3012","0.0005","11.2923","0.0007","90","","92.329","0.004","90","","871.68","0.09","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C2 H10 F3 In N2 O3 Se -","- C2 H10 F3 In N2 O3 Se -","- C8 H40 F12 In4 N8 O12 Se4 -","4","1","","Feng, Mei-Ling; Li, Xiu-Ling; Mao, Jiang-Gao","New Organically Templated Gallium and Indium Selenites or Selenates with One-, Two-, and Three-Dimensional Structures","Crystal Growth & Design","2007","7","4","770","","10.1021/cg060824d","","","0.71073","MoKα","","0.0275","0.0239","","","0.05","0.0513","","","","","","1.098","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504112","6.377","","9.282","0.0002","11.4112","0.0001","66.531","0.011","77.448","0.013","71.889","0.012","585.47","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C6 H14 F Ga N2 O8 Se -","- C6 H12 F Ga N2 O8 Se -","- C12 H24 F2 Ga2 N4 O16 Se2 -","2","1","","Feng, Mei-Ling; Li, Xiu-Ling; Mao, Jiang-Gao","New Organically Templated Gallium and Indium Selenites or Selenates with One-, Two-, and Three-Dimensional Structures","Crystal Growth & Design","2007","7","4","770","","10.1021/cg060824d","","","0.71073","MoKα","","0.0535","0.041","","","0.1042","0.1118","","","","","","1.062","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504113","8.9941","0.0001","9.4963","0.0003","11.2959","0.0001","77.128","0.01","68.073","0.008","83.776","0.012","872.17","0.07","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H36 F2 Ga4 N4 O26 Se6 -","- C14 H28 F2 Ga4 N4 O26 Se6 -","- C14 H28 F2 Ga4 N4 O26 Se6 -","1","0.5","","Feng, Mei-Ling; Li, Xiu-Ling; Mao, Jiang-Gao","New Organically Templated Gallium and Indium Selenites or Selenates with One-, Two-, and Three-Dimensional Structures","Crystal Growth & Design","2007","7","4","770","","10.1021/cg060824d","","","0.71073","MoKα","","0.042","0.0317","","","0.0724","0.0771","","","","","","0.99","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504114","6.8035","0.0015","9.861","0.002","12.956","0.003","90","","90","","90","","869.2","0.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C2 H10 F3 In N2 O4 Se -","- C2 H10 F3 In N2 O4 Se -","- C8 H40 F12 In4 N8 O16 Se4 -","4","1","","Feng, Mei-Ling; Li, Xiu-Ling; Mao, Jiang-Gao","New Organically Templated Gallium and Indium Selenites or Selenates with One-, Two-, and Three-Dimensional Structures","Crystal Growth & Design","2007","7","4","770","","10.1021/cg060824d","","","0.71073","MoKα","","0.0235","0.0217","","","0.0514","0.0521","","","","","","1.093","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504115","8.3749","0.0016","12.118","0.002","10.648","0.003","90","","110.478","0.008","90","","1012.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H9 In N O10 Se -","- C3 H5 In N O10 Se -","- C12 H20 In4 N4 O40 Se4 -","4","1","","Feng, Mei-Ling; Li, Xiu-Ling; Mao, Jiang-Gao","New Organically Templated Gallium and Indium Selenites or Selenates with One-, Two-, and Three-Dimensional Structures","Crystal Growth & Design","2007","7","4","770","","10.1021/cg060824d","","","0.71073","MoKα","","0.0377","0.0321","","","0.0696","0.073","","","","","","0.978","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504116","19.9271","0.0007","19.9271","0.0007","19.9271","0.0007","90","","90","","90","","7912.8","0.5","123","2","123","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C18 H12 Ag Cl N6 O4 -","- C18 H12 Ag0.99 Cl N6 O4 -","- C288 H192 Ag15.84 Cl16 N96 O64 -","16","0.333333","","Zhou, Xiao-Ping; Zhang, Xuanjun; Lin, Shi-Hong; Li, Dan","Anion−π-Interaction-Directed Self-Assembly of Ag(I) Coordination Networks","Crystal Growth & Design","2007","7","3","485","","10.1021/cg0608256","","","0.71073","MoKα","","0.0483","0.0477","","","0.1292","0.13","","","","","","1.065","","","","has coordinates,has disorder","179576","2020-10-21","18:00:00",""
"4504117","19.8773","0.0004","19.8773","0.0004","19.8773","0.0004","90","","90","","90","","7853.7","0.3","293","2","293","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C18 H12 Ag B F4 N6 -","- C18 H12 Ag0.99 B F4 N6 -","- C288 H192 Ag15.84 B16 F64 N96 -","16","0.333333","","Zhou, Xiao-Ping; Zhang, Xuanjun; Lin, Shi-Hong; Li, Dan","Anion−π-Interaction-Directed Self-Assembly of Ag(I) Coordination Networks","Crystal Growth & Design","2007","7","3","485","","10.1021/cg0608256","","","0.71073","MoKα","","0.0622","0.0581","","","0.1464","0.1499","","","","","","1.113","","","","has coordinates,has disorder","179576","2020-10-21","18:00:00",""
"4504118","20.425","0.0007","20.425","0.0007","20.425","0.0007","90","","90","","90","","8520.9","0.5","293","2","293","2","","","","","","","","6","I a -3 d","-I 4bd 2c 3","230","","","","- C18 H12 Ag F6 N6 P -","- C18 H12 Ag0.99 F6 N6 P -","- C288 H192 Ag15.84 F96 N96 P16 -","16","0.166667","","Zhou, Xiao-Ping; Zhang, Xuanjun; Lin, Shi-Hong; Li, Dan","Anion−π-Interaction-Directed Self-Assembly of Ag(I) Coordination Networks","Crystal Growth & Design","2007","7","3","485","","10.1021/cg0608256","","","0.71073","MoKα","","0.1109","0.0762","","","0.1886","0.2148","","","","","","1.036","","","","has coordinates,has disorder","179576","2020-10-21","18:00:00",""
"4504119","10.7077","0.0015","15.062","0.002","16.372","0.002","80.844","0.002","72.76","0.002","89.823","0.002","2487","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H27 Ag4 F12 N12 O9.5 -","- C44 H27 Ag4 F12 N12 O9.5 -","- C88 H54 Ag8 F24 N24 O19 -","2","1","","Zhou, Xiao-Ping; Zhang, Xuanjun; Lin, Shi-Hong; Li, Dan","Anion−π-Interaction-Directed Self-Assembly of Ag(I) Coordination Networks","Crystal Growth & Design","2007","7","3","485","","10.1021/cg0608256","","","0.71073","MoKα","","0.1035","0.0872","","","0.2403","0.2609","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504120","12.829","0.003","40.672","0.008","18.528","0.004","90","","109.99","0.03","90","","9085","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C66 H56 N2 O24 Zn5 -","- C66 H56 N2 O24 Zn5 -","- C264 H224 N8 O96 Zn20 -","4","0.5","","Fang, Qian-Rong; Zhu, Guang-Shan; Jin, Zhao; Xue, Ming; Wei, Xiao; Wang, De-Jun; Qiu, Shi-Lun","A Novel Metal−Organic Framework with the Diamondoid Topology Constructed from Pentanuclear Zinc−Carboxylate Clusters","Crystal Growth & Design","2007","7","6","1035","","10.1021/cg060829a","","","0.71073","MoKα","","0.1604","0.0934","","","0.2548","0.2773","","","","","","1.089","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504121","5.2813","0.0005","16.227","0.002","8.5998","0.001","90","","90.732","0.005","90","","736.94","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H5 Na O6 P2 Zn -","- C2 H5 Na O6 P2 Zn -","- C8 H20 Na4 O24 P8 Zn4 -","4","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Mix-Solvothermal Syntheses, Characterization, and Properties of New Zinc Diphosphonates with Zn−O−P Chains, Layers, and 3D Frameworks","Crystal Growth & Design","2007","7","6","1134","","10.1021/cg060833m","","","0.71073","MoKα","","0.0303","0.0266","","","0.0574","0.0591","","","","","","1.082","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504122","8.2032","0.0003","9.171","0.0004","10.2152","0.0003","88.608","0.002","81.726","0.002","88.466","0.002","760.07","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H10 K2 O12 P4 Zn2 -","- C4 H10 K2 O12 P4 Zn2 -","- C8 H20 K4 O24 P8 Zn4 -","2","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Mix-Solvothermal Syntheses, Characterization, and Properties of New Zinc Diphosphonates with Zn−O−P Chains, Layers, and 3D Frameworks","Crystal Growth & Design","2007","7","6","1134","","10.1021/cg060833m","","","0.71073","MoKα","","","0.0419","","","0.1041","0.1061","","","","","","1.275","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504123","28.419","0.005","8.5688","0.0013","14.951","0.002","90","","100.925","0.002","90","","3574.8","1","130.15","","130.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H17 N2 O12 P4 Zn3 -","- C5 H8 N2 O12 P4 Zn3 -","- C40 H64 N16 O96 P32 Zn24 -","8","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Mix-Solvothermal Syntheses, Characterization, and Properties of New Zinc Diphosphonates with Zn−O−P Chains, Layers, and 3D Frameworks","Crystal Growth & Design","2007","7","6","1134","","10.1021/cg060833m","","","0.71073","MoKα","","0.0333","0.0306","","","0.0988","0.1006","","","","","","1.131","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504124","10.0172","0.0009","20.938","0.002","8.7611","0.0008","90","","90","","90","","1837.6","0.3","130.15","","130.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C6 H20 N2 O12 P4 Zn3 -","- C6 H12 N2 O12 P4 Zn3 -","- C24 H48 N8 O48 P16 Zn12 -","4","0.5","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Mix-Solvothermal Syntheses, Characterization, and Properties of New Zinc Diphosphonates with Zn−O−P Chains, Layers, and 3D Frameworks","Crystal Growth & Design","2007","7","6","1134","","10.1021/cg060833m","","","0.71073","MoKα","","0.0554","0.0502","","","0.1084","0.1111","","","","","","1.165","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504125","11.6226","0.0009","8.1412","0.0006","11.8917","0.0009","90","","96.381","0.003","90","","1118.24","0.15","130.15","","130.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H14 N O6 P2 Zn -","- C5 H14 N O6 P2 Zn -","- C20 H56 N4 O24 P8 Zn4 -","4","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Mix-Solvothermal Syntheses, Characterization, and Properties of New Zinc Diphosphonates with Zn−O−P Chains, Layers, and 3D Frameworks","Crystal Growth & Design","2007","7","6","1134","","10.1021/cg060833m","","","0.71073","MoKα","","0.0308","0.0274","","","0.064","0.0656","","","","","","1.142","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504126","14.14","0.0014","4.8817","0.0004","14.4106","0.0014","90","","91.175","0.005","90","","994.51","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H9 K O6 P2 Zn -","- C4 H9 K O6 P2 Zn -","- C16 H36 K4 O24 P8 Zn4 -","4","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Mix-Solvothermal Syntheses, Characterization, and Properties of New Zinc Diphosphonates with Zn−O−P Chains, Layers, and 3D Frameworks","Crystal Growth & Design","2007","7","6","1134","","10.1021/cg060833m","","","0.71073","MoKα","","0.0428","0.0391","","","0.0831","0.0854","","","","","","1.162","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504127","13.9243","0.0012","8.9409","0.0007","8.9821","0.0008","90","","95.037","0.005","90","","1113.92","0.16","130.15","","130.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C4 H10 Cl K O6 P2 Zn -","- C4 H10 Cl K O6 P2 Zn -","- C16 H40 Cl4 K4 O24 P8 Zn4 -","4","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Mix-Solvothermal Syntheses, Characterization, and Properties of New Zinc Diphosphonates with Zn−O−P Chains, Layers, and 3D Frameworks","Crystal Growth & Design","2007","7","6","1134","","10.1021/cg060833m","","","0.71073","MoKα","","0.0237","0.0221","","","0.0532","0.0538","","","","","","1.1","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504128","4.8852","0.0018","9.986","0.004","10.432","0.004","92.918","0.004","98.418","0.006","90.801","0.006","502.7","0.3","130.15","","130.15","","","","","","","","","6","P -1","-P 1","2","","","","- C4 H13 N O6 P2 Zn -","- C4 H13 N O6 P2 Zn -","- C8 H26 N2 O12 P4 Zn2 -","2","1","","Fu, Ruibiao; Hu, Shengmin; Wu, Xintao","Mix-Solvothermal Syntheses, Characterization, and Properties of New Zinc Diphosphonates with Zn−O−P Chains, Layers, and 3D Frameworks","Crystal Growth & Design","2007","7","6","1134","","10.1021/cg060833m","","","0.71073","MoKα","","0.0244","0.0218","","","0.0556","0.0575","","","","","","1.112","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504129","9.3247","0.0016","17.011","0.003","31.447","0.006","90","","90","","90","","4988.2","1.6","273","2","273","2","","","","","","","","7","I b a m","-I 2 2c","72","","","","- C18 H18 Cu2 I2 N3 Nd O9 -","- C18 H9 Cu2 I2 N3 Nd O9 -","- C144 H72 Cu16 I16 N24 Nd8 O72 -","8","0.5","","Gu, Xiaojun; Xue, Dongfeng","Incorporating Metal Clusters into Three-Dimensional Ln(III)−Cu(I) Coordination Frameworks through Linear Ligands","Crystal Growth & Design","2007","7","9","1726","","10.1021/cg060836z","","","0.71073","MoKα","","0.033","0.0284","","","0.0816","0.0852","","","","","","0.858","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504130","21.148","0.003","9.2771","0.0016","17.264","0.003","90","","106.404","0.003","90","","3249.2","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Cu N2 Nd O9 -","- C14 H8 Cu N2 Nd O9 -","- C112 H64 Cu8 N16 Nd8 O72 -","8","1","","Gu, Xiaojun; Xue, Dongfeng","Incorporating Metal Clusters into Three-Dimensional Ln(III)−Cu(I) Coordination Frameworks through Linear Ligands","Crystal Growth & Design","2007","7","9","1726","","10.1021/cg060836z","","","0.71073","MoKα","","0.0225","0.0201","","","0.049","0.0504","","","","","","1.056","","","","has coordinates,has disorder","179576","2020-10-21","18:00:00",""
"4504131","21.296","0.005","9.203","0.002","17.063","0.004","90","","105.939","0.003","90","","3215.6","1.3","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Cu Eu N2 O9 -","- C14 H8 Cu Eu N2 O9 -","- C112 H64 Cu8 Eu8 N16 O72 -","8","1","","Gu, Xiaojun; Xue, Dongfeng","Incorporating Metal Clusters into Three-Dimensional Ln(III)−Cu(I) Coordination Frameworks through Linear Ligands","Crystal Growth & Design","2007","7","9","1726","","10.1021/cg060836z","","","0.71073","MoKα","","0.0284","0.0235","","","0.0577","0.0603","","","","","","1.014","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504132","36.29","0.015","9.659","0.004","7.363","0.003","90","","97.289","0.012","90","","2560.1","1.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H32 Cu N4 O13 -","- C18 H32 Cu N4 O13 -","- C72 H128 Cu4 N16 O52 -","4","0.5","","Choudhury, Somnath Ray; Jana, Atish Dipankar; Colacio, Enrique; Lee, Hon Man; Mostafa, Golam; Mukhopadhyay, Subrata","Crowned Tetrameric Spirocyclic Water Chain: An Unusual Building Block of a Supramolecular Metal−Organic Host","Crystal Growth & Design","2007","7","2","212","","10.1021/cg060837r","","x-ray","0.71073","MoKα","","0.072","0.0619","","","0.1541","0.1591","","","","","","1.056","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504133","5.881","0.004","13.609","0.008","30.225","0.018","90","","90","","90","","2419","3","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H31 N O4 -","- C29 H29 N O4 -","- C116 H116 N4 O16 -","4","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","0.1713","0.1171","","","0.2812","0.3487","","","","","","1.032","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504134","13.696","0.002","5.997","0.0007","17.017","0.004","90","","101.213","0.007","90","","1371","0.4","296.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H35 N O4 -","- C31 H33 N O4 -","- C62 H66 N2 O8 -","2","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","","0.049","","","","0.057","","","","","","0.563","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504135","13.92","0.02","5.883","0.007","17.85","0.02","90","","107.98","0.02","90","","1390","3","123.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H37 N O4 -","- C32 H35 N O4 -","- C64 H70 N2 O8 -","2","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","","0.052","","","","0.07","","","","","","0.735","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504136","5.972","0.0006","32.194","0.004","13.442","0.003","90","","90","","90","","2584.4","0.7","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 N O4 -","- C30 H31 N O4 -","- C120 H124 N4 O16 -","4","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","","0.138","","","","0.171","","","","","","2.63","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504137","5.961","0.003","13.052","0.006","32.917","0.017","90","","90","","90","","2561","2","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 N O4 -","- C31 H35 N O4 -","- C124 H140 N4 O16 -","4","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","0.0804","0.0643","","","0.1427","0.1541","","","","","","1.085","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504138","6.059","0.0007","34.837","0.005","13.478","0.003","90","","90","","90","","2844.9","0.8","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H37 N O4 -","- C32 H35 N O4 -","- C128 H140 N4 O16 -","4","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","","0.146","","","","0.175","","","","","","3.138","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4504139","13.72","0.02","5.605","0.007","18.35","0.03","90","0.01","105.995","0.012","90","0.01","1356","3","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H39 N O4 -","- C33 H39 N O4 -","- C66 H78 N2 O8 -","2","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","0.2617","0.1483","","","0.3367","0.4386","","","","","","1.025","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504140","6.026","0.007","13.604","0.016","31.8","0.04","90","","90","","90","","2607","5","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H35 N O4 -","- C31 H35 N O4 -","- C124 H140 N4 O16 -","4","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","0.1726","0.1158","","","0.2521","0.3019","","","","","","1.111","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504141","6.025","0.006","13.348","0.015","33.02","0.04","90","","90","","90","","2656","5","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H37 N O4 -","- C32 H37 N O4 -","- C128 H148 N4 O16 -","4","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","0.2029","0.1577","","","0.3585","0.4","","","","","","1.203","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504142","13.746","0.002","6.088","0.0006","34.185","0.006","90","","90","","90","","2860.8","0.7","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H39 N O4 -","- C33 H37 N O4 -","- C132 H148 N4 O16 -","4","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","","0.072","","","","0.084","","","","","","1.219","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504143","38.87","0.006","5.989","0.0007","13.752","0.003","90","","109.505","0.006","90","","3017.6","0.9","296.1","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C34 H41 N O4 -","- C34 H39 N O4 -","- C136 H156 N4 O16 -","4","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","","0.059","","","","0.065","","","","","","1.168","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504144","13.519","0.01","6.014","0.004","17.972","0.013","90","0.003","109.965","0.003","90","0.003","1373.4","1.7","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H39 N O4 -","- C33 H39 N O4 -","- C66 H78 N2 O8 -","2","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","0.0954","0.0664","","","0.1455","0.18","","","","","","1.145","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504145","5.992","0.008","13.568","0.019","35.49","0.05","90","","90","","90","","2885","7","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C34 H41 N O4 -","- C34 H41 N O4 -","- C136 H164 N4 O16 -","4","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","0.1886","0.1324","","","0.2932","0.3437","","","","","","1.131","","","","has coordinates,has disorder","301842","2025-08-21","00:37:14",""
"4504146","13.54","0.02","6.29","0.009","17.04","0.03","90","","104.41","0.02","90","","1406","4","293.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H35 N O4 -","- C35 H33 N O4 -","- C70 H66 N2 O8 -","2","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","","0.054","","","","0.055","","","","","","0.663","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504147","14.064","0.002","6.195","0.0012","17.464","0.005","90","","107.012","0.009","90","","1455","0.5","296.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H37 N O4 -","- C36 H35 N O4 -","- C72 H70 N2 O8 -","2","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","","0.129","","","","0.151","","","","","","2.763","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504148","5.828","0.008","13.762","0.017","37.55","0.05","90","","90","","90","","3012","7","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H39 N O4 -","- C37 H39 N O4 -","- C148 H156 N4 O16 -","4","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","0.1703","0.1187","","","0.2517","0.301","","","","","","1.09","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504149","5.943","0.006","13.683","0.013","38.1","0.04","90","","90","","90","","3098","5","103","2","103","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H41 N O4 -","- C38 H41 N O4 -","- C152 H164 N4 O16 -","4","1","","Kodama, Koichi; Kobayashi, Yuka; Saigo, Kazuhiko","Role of the Relative Molecular Length of the Components in Ternary Inclusion Crystals in the Chiral Recognition and Assembly of Supramolecular Helical Architectures","Crystal Growth & Design","2007","7","5","935","","10.1021/cg060849c","","","0.7107","MoKα","","0.1948","0.1528","","","0.3408","0.3838","","","","","","1.15","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504150","11.7926","0.0009","7.1528","0.0005","23.8166","0.0017","90","","100.538","0.001","90","","1975","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 N O S2 -","- C10 H7 N O S2 -","- C80 H56 N8 O8 S16 -","8","2","","Barreiro, Elena; Casas, José S.; Couce, María D.; Sánchez, Agustín; Sordo, José; Varela, José M.; Vázquez-López, Ezequiel M.","The Influence of 5-Substituents on the Supramolecular Structures of Rhodanine Derivatives","Crystal Growth & Design","2007","7","10","1964","","10.1021/cg060859d","","","0.71073","MoKα","","0.0875","0.0391","","","0.0778","0.0878","","","","","","0.861","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504151","21.264","0.003","6.329","0.0008","18.977","0.002","90","","106.507","0.002","90","","2448.7","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H7 D3 N O2.5 S2.5 -","- C11 H7 N O2.5 S2.5 -","- C88 H56 N8 O20 S20 -","8","1","","Barreiro, Elena; Casas, José S.; Couce, María D.; Sánchez, Agustín; Sordo, José; Varela, José M.; Vázquez-López, Ezequiel M.","The Influence of 5-Substituents on the Supramolecular Structures of Rhodanine Derivatives","Crystal Growth & Design","2007","7","10","1964","","10.1021/cg060859d","","","0.71073","MoKα","","0.0959","0.0627","","","0.1637","0.1771","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504152","9.1964","0.0007","9.4261","0.0008","9.7147","0.0008","72.006","0.002","81.908","0.001","86.912","0.002","792.92","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H11 Br2 N O3 S2 -","- C13 H11 Br2 N O3 S2 -","- C26 H22 Br4 N2 O6 S4 -","2","1","","Barreiro, Elena; Casas, José S.; Couce, María D.; Sánchez, Agustín; Sordo, José; Varela, José M.; Vázquez-López, Ezequiel M.","The Influence of 5-Substituents on the Supramolecular Structures of Rhodanine Derivatives","Crystal Growth & Design","2007","7","10","1964","","10.1021/cg060859d","","","0.71073","MoKα","","0.0377","0.0303","","","0.0704","0.0721","","","","","","0.989","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504153","35.062","0.002","8.2816","0.0006","18.1147","0.0013","90","","106.941","0.001","90","","5031.7","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H7 D3 N O2.5 S2.5 -","- C11 H7 N O2.5 S2.5 -","- C176 H112 N16 O40 S40 -","16","2","","Barreiro, Elena; Casas, José S.; Couce, María D.; Sánchez, Agustín; Sordo, José; Varela, José M.; Vázquez-López, Ezequiel M.","The Influence of 5-Substituents on the Supramolecular Structures of Rhodanine Derivatives","Crystal Growth & Design","2007","7","10","1964","","10.1021/cg060859d","","","0.71073","MoKα","","0.0713","0.0444","","","0.1272","0.1419","","","","","","0.863","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504154","5.1827","0.0007","10.5154","0.0016","20.731","0.003","90","","92.494","0.003","90","","1128.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N O2 S2 -","- C11 H9 N O2 S2 -","- C44 H36 N4 O8 S8 -","4","1","","Barreiro, Elena; Casas, José S.; Couce, María D.; Sánchez, Agustín; Sordo, José; Varela, José M.; Vázquez-López, Ezequiel M.","The Influence of 5-Substituents on the Supramolecular Structures of Rhodanine Derivatives","Crystal Growth & Design","2007","7","10","1964","","10.1021/cg060859d","","","0.71073","MoKα","","0.1236","0.0443","","","0.0746","0.0911","","","","","","0.816","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504155","6.0546","0.0007","21.357","0.002","7.3517","0.0008","90","","107.167","0.002","90","","908.28","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 N O S2 -","- C8 H9 N O S2 -","- C32 H36 N4 O4 S8 -","4","1","","Barreiro, Elena; Casas, José S.; Couce, María D.; Sánchez, Agustín; Sordo, José; Varela, José M.; Vázquez-López, Ezequiel M.","The Influence of 5-Substituents on the Supramolecular Structures of Rhodanine Derivatives","Crystal Growth & Design","2007","7","10","1964","","10.1021/cg060859d","","","0.71073","MoKα","","0.077","0.0447","","","0.0927","0.1013","","","","","","0.897","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504156","19.299","0.002","5.2501","0.0006","19.85","0.002","90","","92.381","0.002","90","","2009.5","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H11 N O S2 -","- C9 H11 N O S2 -","- C72 H88 N8 O8 S16 -","8","1","","Barreiro, Elena; Casas, José S.; Couce, María D.; Sánchez, Agustín; Sordo, José; Varela, José M.; Vázquez-López, Ezequiel M.","The Influence of 5-Substituents on the Supramolecular Structures of Rhodanine Derivatives","Crystal Growth & Design","2007","7","10","1964","","10.1021/cg060859d","","","0.71073","MoKα","","0.0763","0.0414","","","0.0824","0.0912","","","","","","0.922","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504157","23.485","0.003","26.55","0.003","7.9344","0.001","90","","97.379","0.003","90","","4906.3","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10.5 H15 N O1.5 S2 -","- C10.5 H15 N O1.5 S2 -","- C168 H240 N16 O24 S32 -","16","2","","Barreiro, Elena; Casas, José S.; Couce, María D.; Sánchez, Agustín; Sordo, José; Varela, José M.; Vázquez-López, Ezequiel M.","The Influence of 5-Substituents on the Supramolecular Structures of Rhodanine Derivatives","Crystal Growth & Design","2007","7","10","1964","","10.1021/cg060859d","","","0.71073","MoKα","","0.2642","0.0483","","","0.0673","0.1015","","","","","","0.776","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504158","11.378","0.005","9.825","0.005","7.245","0.003","90","","120.08","0.02","90","","700.8","0.6","298","2","133","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-Carboxyphenylboronic acid","","","- C7 H7 B O4 -","- C7 H7 B O4 -","- C28 H28 B4 O16 -","4","0.5","","SeethaLekshmi, Nanappan; Pedireddi, Venkateswara Rao","Solid-State Structures of 4-Carboxyphenylboronic Acid and Its Hydrates","Crystal Growth & Design","2007","7","5","944","","10.1021/cg060860c","","","0.71073","MoKα","","0.0871","0.0758","","","0.2161","0.2277","","","","","","1.084","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504159","7.566","0.005","11.929","0.007","9.769","0.006","90","","90","","90","","881.7","0.9","298","2","298","2","","","","","","","","4","C c c 2","C 2 -2c","37","4-Carboxyphenylboronic acid hydrate","","","- C7 H9 B O5 -","- C7 H9 B O5 -","- C28 H36 B4 O20 -","4","0.5","","SeethaLekshmi, Nanappan; Pedireddi, Venkateswara Rao","Solid-State Structures of 4-Carboxyphenylboronic Acid and Its Hydrates","Crystal Growth & Design","2007","7","5","944","","10.1021/cg060860c","","","0.71073","MoKα","","0.0794","0.0713","","","0.1587","0.1627","","","","","","1.433","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504160","13.14","0.003","18.138","0.005","25.328","0.007","90","","90","","90","","6037","3","133","2","133","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","4-Carboxyphenylboronic acid hydrate","","","- C7 H7.5 B O4.25 -","- C7 H7.5 B O4.25 -","- C224 H240 B32 O136 -","32","1","","SeethaLekshmi, Nanappan; Pedireddi, Venkateswara Rao","Solid-State Structures of 4-Carboxyphenylboronic Acid and Its Hydrates","Crystal Growth & Design","2007","7","5","944","","10.1021/cg060860c","","","0.71073","MoKα","","0.081","0.0523","","","0.1335","0.1414","","","","","","1.058","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504161","17.4826","0.0019","14.2661","0.0016","8.3567","0.0013","90","","95.276","0.002","90","","2075.4","0.5","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 Gd O7 -","- C9 H10 Gd O7 -","- C72 H80 Gd8 O56 -","8","1","","Hu, De-Xin; Luo, Feng; Che, Yun-Xia; Zheng, Ji-Min","Construction of Lanthanide Metal−Organic Frameworks by Flexible Aliphatic Dicarboxylate Ligands Plus a Rigidm-Phthalic Acid Ligand","Crystal Growth & Design","2007","7","9","1733","","10.1021/cg0608615","","","0.71073","MoKα","","0.0307","0.0232","","","0.0528","0.0556","","","","","","1.038","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504162","7.9862","0.0009","14.9936","0.0017","19.864","0.002","90","","93.875","0.002","90","","2373.1","0.4","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H26 O17 Sm2 -","- C18 H20 O17 Sm2 -","- C72 H80 O68 Sm8 -","4","0.5","","Hu, De-Xin; Luo, Feng; Che, Yun-Xia; Zheng, Ji-Min","Construction of Lanthanide Metal−Organic Frameworks by Flexible Aliphatic Dicarboxylate Ligands Plus a Rigidm-Phthalic Acid Ligand","Crystal Growth & Design","2007","7","9","1733","","10.1021/cg0608615","","","0.71073","MoKα","","0.0484","0.0411","","","0.0843","0.0862","","","","","","1.296","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504163","17.541","0.002","14.2888","0.0018","8.3715","0.001","90","","95.332","0.002","90","","2089.2","0.4","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 Dy O7 -","- C9 H10 Dy O7 -","- C72 H80 Dy8 O56 -","8","1","","Hu, De-Xin; Luo, Feng; Che, Yun-Xia; Zheng, Ji-Min","Construction of Lanthanide Metal−Organic Frameworks by Flexible Aliphatic Dicarboxylate Ligands Plus a Rigidm-Phthalic Acid Ligand","Crystal Growth & Design","2007","7","9","1733","","10.1021/cg0608615","","","0.71073","MoKα","","0.0305","0.0265","","","0.067","0.0688","","","","","","1.036","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504164","9.5593","0.0019","12.298","0.003","15.836","0.003","71.08","0.03","84.47","0.03","70.51","0.03","1660","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H34 La2 O24 -","- C24 H22 La2 O24 -","- C48 H44 La4 O48 -","2","1","","Hu, De-Xin; Luo, Feng; Che, Yun-Xia; Zheng, Ji-Min","Construction of Lanthanide Metal−Organic Frameworks by Flexible Aliphatic Dicarboxylate Ligands Plus a Rigidm-Phthalic Acid Ligand","Crystal Growth & Design","2007","7","9","1733","","10.1021/cg0608615","","x-ray","0.71073","MoKα","","0.0766","0.0508","","","0.1488","0.1735","","","","","","1.013","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504165","17.507","0.004","14.196","0.003","8.3366","0.0017","90","","95.4","0.03","90","","2062.7","0.8","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 O7 Y -","- C9 H10 O7 Y -","- C72 H80 O56 Y8 -","8","1","","Hu, De-Xin; Luo, Feng; Che, Yun-Xia; Zheng, Ji-Min","Construction of Lanthanide Metal−Organic Frameworks by Flexible Aliphatic Dicarboxylate Ligands Plus a Rigidm-Phthalic Acid Ligand","Crystal Growth & Design","2007","7","9","1733","","10.1021/cg0608615","","x-ray","0.71073","MoKα","","0.0404","0.0303","","","0.0671","0.07","","","","","","0.978","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504166","6.7577","0.0014","10.003","0.002","10.49","0.002","92.79","0.03","107.95","0.03","108.78","0.03","630","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H12 Er O8 -","- C11 H12 Er O8 -","- C22 H24 Er2 O16 -","2","1","","Hu, De-Xin; Luo, Feng; Che, Yun-Xia; Zheng, Ji-Min","Construction of Lanthanide Metal−Organic Frameworks by Flexible Aliphatic Dicarboxylate Ligands Plus a Rigidm-Phthalic Acid Ligand","Crystal Growth & Design","2007","7","9","1733","","10.1021/cg0608615","","","0.71073","MoKα","","0.0238","0.0225","","","0.0545","0.055","","","","","","1.05","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504167","14.678","0.004","5.951","0.002","9.03","0.002","90","","105.72","0.04","90","","759.3","0.4","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-Chlorophenylboronic acid","","- C6 H6 B Cl O2 -","- C6 H6 B Cl O2 -","- C24 H24 B4 Cl4 O8 -","4","1","","Shimpi, Manishkumar R.; SeethaLekshmi, Nanappan; Pedireddi, Venkateswara Rao","Supramolecular Architecture in Some 4-Halophenylboronic Acids","Crystal Growth & Design","2007","7","10","1958","","10.1021/cg060863p","","","0.71073","MoKα","","0.0466","0.0385","","","0.1115","0.133","","","","","","1.104","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504168","5.01","0.003","7.241","0.004","10.989","0.006","103.3","0.08","97.06","0.09","100.52","0.09","375.7","0.4","133","2","133","2","","","","","","","","5","P -1","-P 1","2","4-Bromophenylboronic acid","","","- C6 H6 B Br O2 -","- C6 H6 B Br O2 -","- C12 H12 B2 Br2 O4 -","2","1","","Shimpi, Manishkumar R.; SeethaLekshmi, Nanappan; Pedireddi, Venkateswara Rao","Supramolecular Architecture in Some 4-Halophenylboronic Acids","Crystal Growth & Design","2007","7","10","1958","","10.1021/cg060863p","","","0.71073","MoKα","","0.0687","0.0622","","","0.1607","0.1651","","","","","","0.97","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504169","14.427","0.009","24.973","0.001","9.901","0.006","90","","90","","90","","3567","3","133","2","133","2","","","","","","","","5","I b a m","-I 2 2c","72","","4-Bromophenylboronic acid hydrate","","- C6 H7.5 B Br O2.75 -","- C6 H7.5 B Br O2.75 -","- C96 H120 B16 Br16 O44 -","16","1","","Shimpi, Manishkumar R.; SeethaLekshmi, Nanappan; Pedireddi, Venkateswara Rao","Supramolecular Architecture in Some 4-Halophenylboronic Acids","Crystal Growth & Design","2007","7","10","1958","","10.1021/cg060863p","","","0.71073","MoKα","","0.1099","0.0728","","","0.2058","0.2311","","","","","","1.011","","","","has coordinates","295901","2024-11-13","14:24:52",""
"4504170","15.157","0.008","24.837","0.001","9.872","0.005","90","","90","","90","","3716","3","133","2","133","2","","","","","","","","5","I b a m","-I 2 2c","72","4-Iodophenylboronic acid hydrate","","","- C6 H7 B I O2.5 -","- C6 H7 B I O2.5 -","- C96 H112 B16 I16 O40 -","16","1","","Shimpi, Manishkumar R.; SeethaLekshmi, Nanappan; Pedireddi, Venkateswara Rao","Supramolecular Architecture in Some 4-Halophenylboronic Acids","Crystal Growth & Design","2007","7","10","1958","","10.1021/cg060863p","","","0.71073","MoKα","","0.0862","0.0563","","","0.1554","0.1848","","","","","","1.021","","","","has coordinates","295901","2024-11-13","14:24:52",""
"4504171","19.28","0.006","18.881","0.006","9.854","0.003","90","","90","","90","","3587.1","1.9","133","2","133","2","","","","","","","","5","I b a m","-I 2 2c","72","","4-Iodophenylboronic acid hydrate","","- C12 H14 B2 I2 O5 -","- C12 H14 B2 I2 O5 -","- C96 H112 B16 I16 O40 -","8","0.5","","Shimpi, Manishkumar R.; SeethaLekshmi, Nanappan; Pedireddi, Venkateswara Rao","Supramolecular Architecture in Some 4-Halophenylboronic Acids","Crystal Growth & Design","2007","7","10","1958","","10.1021/cg060863p","","","0.71073","MoKα","","0.063","0.0525","","","0.1794","0.1951","","","","","","1.088","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504172","11.442","0.002","11.905","0.002","17.169","0.003","107.62","0.03","91.67","0.03","102.37","0.03","2166.1","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- H60 K12 Ni7 O95 Si2 W16 -","- K12 Ni7 O95 Si2 W16 -","- K12 Ni7 O95 Si2 W16 -","1","0.5","","Zhang, Zhiming; Wang, Enbo; Qi, Yanfei; Li, Yangguang; Mao, Baodong; Su, Zhongmin","Synthesis, Characterization, and Crystal Structures of Double-Cubane-Substituted and Asymmetric Penta-Ni-Substituted Dimeric Polyoxometalates","Crystal Growth & Design","2007","7","7","1305","","10.1021/cg060868m","","","0.71073","MoKα","","0.1562","0.0865","","","0.1921","0.2339","","","","","","1.02","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504173","18.435","0.004","21.92","0.004","25.095","0.005","81.44","0.03","73.87","0.03","85.31","0.03","9624","4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- H106 K6 Na18 Ni10 O185 Si4 W34 -","- K6 Na18 Ni10 O185 Si4 W34 -","- K12 Na36 Ni20 O370 Si8 W68 -","2","1","","Zhang, Zhiming; Wang, Enbo; Qi, Yanfei; Li, Yangguang; Mao, Baodong; Su, Zhongmin","Synthesis, Characterization, and Crystal Structures of Double-Cubane-Substituted and Asymmetric Penta-Ni-Substituted Dimeric Polyoxometalates","Crystal Growth & Design","2007","7","7","1305","","10.1021/cg060868m","","","0.71073","MoKα","","0.1181","0.0675","","","0.1684","0.2011","","","","","","1.066","","","","has coordinates,has disorder","179576","2020-10-21","18:00:00",""
"4504174","10.3691","0.0005","10.4155","0.0005","11.0993","0.0005","64.144","0.001","71.293","0.001","63.249","0.001","951.65","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C33 H53 N11 O13 -","- C33 H53 N11 O13 -","- C33 H53 N11 O13 -","1","1","","Kang, Sung Ok; Powell, Douglas; Day, Victor W.; Bowman-James, Kristin","Crystallized Water: Internal and External Ice Fragments in Polycyclic Hosts","Crystal Growth & Design","2007","7","4","606","","10.1021/cg0608817","","","0.71073","MoKα","","0.0446","0.0433","","","0.1125","0.1136","","","","","","1.046","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504175","10.6489","0.001","11.7894","0.001","11.9457","0.0012","88.667","0.003","81.501","0.003","64.577","0.003","1338.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H37.35 N8 O7.88 -","- C24 H37.35 N8 O7.871 -","- C48 H74.7 N16 O15.742 -","2","1","","Kang, Sung Ok; Powell, Douglas; Day, Victor W.; Bowman-James, Kristin","Crystallized Water: Internal and External Ice Fragments in Polycyclic Hosts","Crystal Growth & Design","2007","7","4","606","","10.1021/cg0608817","","","0.71073","MoKα","","0.0559","0.0481","","","0.1316","0.1371","","","","","","1.061","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504176","7.608","0.002","7.987","0.002","10.443","0.002","104.5","0.03","94.35","0.03","116.79","0.03","535.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H13 Cl Mg0.5 N3 O4 -","- C5 H13 Cl Mg0.5 N3 O4 -","- C10 H26 Cl2 Mg N6 O8 -","2","1","","Mastropietro, Teresa F.; Armentano, Donatella; Marino, Nadia; De Munno, Giovanni; Anastassopoulou, Jane; Theophanides, Theophilos","Supramolecular Assemblies of Nucleobase Derivative 1-Mecyt with Mg(II) and Ni(II) and Solid-State Transformation of Ni(II) Phase: A Comprehensive Evidence of Their Different Reactivity toward 1-Mecyt [1-Mecyt = 1-Methylcytosine]","Crystal Growth & Design","2007","7","4","609","","10.1021/cg060894k","","","0.71073","MoKα","","0.0478","0.0431","","","0.115","0.1195","","","","","","1.009","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504177","7.502","0.001","7.584","0.001","10.383","0.001","104.85","0.01","94.05","0.01","116.11","0.01","501.16","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H13 Cl N3 Ni0.5 O4 -","- C5 H13 Cl N3 Ni0.5 O4 -","- C10 H26 Cl2 N6 Ni O8 -","2","1","","Mastropietro, Teresa F.; Armentano, Donatella; Marino, Nadia; De Munno, Giovanni; Anastassopoulou, Jane; Theophanides, Theophilos","Supramolecular Assemblies of Nucleobase Derivative 1-Mecyt with Mg(II) and Ni(II) and Solid-State Transformation of Ni(II) Phase: A Comprehensive Evidence of Their Different Reactivity toward 1-Mecyt [1-Mecyt = 1-Methylcytosine]","Crystal Growth & Design","2007","7","4","609","","10.1021/cg060894k","","","0.71073","MoKα","","0.038","0.0366","","","0.1029","0.1045","","","","","","1.065","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504178","27.6819","0.0006","7.3574","0.0002","14.5039","0.0004","90","","101.251","0.002","90","","2897.19","0.13","293","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 Cl2 N6 Ni O2 -","- C10 H14 Cl2 N6 Ni O2 -","- C80 H112 Cl16 N48 Ni8 O16 -","8","1","","Mastropietro, Teresa F.; Armentano, Donatella; Marino, Nadia; De Munno, Giovanni; Anastassopoulou, Jane; Theophanides, Theophilos","Supramolecular Assemblies of Nucleobase Derivative 1-Mecyt with Mg(II) and Ni(II) and Solid-State Transformation of Ni(II) Phase: A Comprehensive Evidence of Their Different Reactivity toward 1-Mecyt [1-Mecyt = 1-Methylcytosine]","Crystal Growth & Design","2007","7","4","609","","10.1021/cg060894k","","","0.71073","MoKα","","0.0269","0.0231","","","0.0924","0.1029","","","","","","0.889","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504179","13.992","0.004","5.7153","0.0014","31.126","0.008","90","","100.513","0.005","90","","2447.3","1.1","123","2","123","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C58 H48 Cu N6 O9 -","- C58 H48 Cu N6 O9 -","- C116 H96 Cu2 N12 O18 -","2","0.5","","Wu, Shu-Ting; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","pH-Dependent Assembly of Supramolecular Architectures from 0D to 2D Networks","Crystal Growth & Design","2007","7","9","1746","","10.1021/cg0608965","","","0.71073","MoKα","","0.0818","0.0698","","","0.1412","0.1472","","","","","","1.165","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504180","30.283","0.005","15.139","0.002","14.457","0.002","90","","112.776","0.003","90","","6111.1","1.6","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H66 Cu2 N6 O19 -","- C58 H66 Cu2 N6 O19 -","- C232 H264 Cu8 N24 O76 -","4","0.5","","Wu, Shu-Ting; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","pH-Dependent Assembly of Supramolecular Architectures from 0D to 2D Networks","Crystal Growth & Design","2007","7","9","1746","","10.1021/cg0608965","","","0.71073","MoKα","","0.0458","0.04","","","0.105","0.1085","","","","","","1.098","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504181","5.8317","0.0012","21.157","0.004","20.679","0.004","90","","94.343","0.003","90","","2544.1","0.9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H44 Cu2 N6 O8 -","- C58 H44 Cu2 N6 O8 -","- C116 H88 Cu4 N12 O16 -","2","0.5","","Wu, Shu-Ting; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","pH-Dependent Assembly of Supramolecular Architectures from 0D to 2D Networks","Crystal Growth & Design","2007","7","9","1746","","10.1021/cg0608965","","","0.71073","MoKα","","0.039","0.0358","","","0.0896","0.0913","","","","","","1.072","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504182","14.016","0.003","18.492","0.004","19.353","0.004","66.22","0.003","79.948","0.004","88.39","0.003","4514.7","1.7","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H92 Cu3 N11 O21 -","- C97 H74 Cu3 N11 O21 -","- C194 H148 Cu6 N22 O42 -","2","1","","Wu, Shu-Ting; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","pH-Dependent Assembly of Supramolecular Architectures from 0D to 2D Networks","Crystal Growth & Design","2007","7","9","1746","","10.1021/cg0608965","","","0.71073","MoKα","","0.0612","0.0527","","","0.1431","0.1506","","","","","","1.002","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504183","5.688","0.0016","17.917","0.005","20.904","0.006","90","","92.959","0.005","90","","2127.5","1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H42 Cu3 N4 O12 -","- C48 H42 Cu3 N4 O12 -","- C96 H84 Cu6 N8 O24 -","2","0.5","","Wu, Shu-Ting; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","pH-Dependent Assembly of Supramolecular Architectures from 0D to 2D Networks","Crystal Growth & Design","2007","7","9","1746","","10.1021/cg0608965","","","0.71073","MoKα","","0.059","0.048","","","0.1209","0.1257","","","","","","1.04","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504184","9.5464","0.0007","17.0621","0.0011","14.0941","0.001","90","","105.456","0.001","90","","2212.6","0.3","150","","150","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C40 H44 Cu2 F8 N8 O4 V2 -","- C40 H44 Cu2 F8 N8 O4 V2 -","- C80 H88 Cu4 F16 N16 O8 V4 -","2","0.5","","Welk, Margaret E.; Stern, Charlotte L.; Poeppelmeier, Kenneth R.; Norquist, Alexander J.","Effects of Reaction Gel Dehydration on the Synthesis of Cu(NC5H5)4VOF4and [Cu(NC5H5)4VOF4][Cu(NC5H5)4(H2O)VOF4]·H2O","Crystal Growth & Design","2007","7","5","956","","10.1021/cg0609062","","","0.71073","MoKα","","0.0624","0.0335","","0.0818","0.0764","0.0764","","","","","","0.8623","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504185","10.5023","0.0005","13.0806","0.0007","31.097","0.0016","90","","90","","90","","4272","0.4","150","","150","","","","","","","","","7","C 2 2 21","C 2c 2","20","","","","- C20 H20 Cu F4 N4 O V -","- C20 H20 Cu F4 N4 O V -","- C160 H160 Cu8 F32 N32 O8 V8 -","8","1","","Welk, Margaret E.; Stern, Charlotte L.; Poeppelmeier, Kenneth R.; Norquist, Alexander J.","Effects of Reaction Gel Dehydration on the Synthesis of Cu(NC5H5)4VOF4and [Cu(NC5H5)4VOF4][Cu(NC5H5)4(H2O)VOF4]·H2O","Crystal Growth & Design","2007","7","5","956","","10.1021/cg0609062","","","0.71073","MoKα","","0.0422","0.0279","","0.0779","0.0673","0.0673","","","","","","0.8833","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504186","9.8937","0.0004","14.9532","0.0007","18.5593","0.0008","90","","90","","90","","2745.7","0.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H43 N O3 P2 Pd -","- C24 H43 N O3 P2 Pd -","- C96 H172 N4 O12 P8 Pd4 -","4","1","","Johansson, Roger; Öhrström, Lars; Wendt, Ola F.","Hydrogen Bond Control of Dimensionality in Organometallic {2,6-Bis[(di-t-butylphosphino)methyl]phenyl}palladium(II) Compounds: Dimers, Chains, and a 3D-Net with an Apparent Channel Structure","Crystal Growth & Design","2007","7","10","1974","","10.1021/cg060913q","","","0.71073","MoKα","","0.0609","0.032","","","0.067","0.0691","","","","","","1.008","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504187","11.2561","0.0007","15.9146","0.001","30.6537","0.0017","90","","90","","90","","5491.2","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H44 O2.5 P2 Pd -","- C24 H43 O2.456 P2 Pd -","- C192 H344 O19.648 P16 Pd8 -","8","1","","Johansson, Roger; Öhrström, Lars; Wendt, Ola F.","Hydrogen Bond Control of Dimensionality in Organometallic {2,6-Bis[(di-t-butylphosphino)methyl]phenyl}palladium(II) Compounds: Dimers, Chains, and a 3D-Net with an Apparent Channel Structure","Crystal Growth & Design","2007","7","10","1974","","10.1021/cg060913q","","","0.71073","MoKα","","0.1682","0.0567","","","0.1424","0.1783","","","","","","0.98","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504188","16.669","0.002","16.669","0.002","19.018","0.004","90","","90","","120","","4576.3","1.2","150","2","150","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C27 H43 N O2 P2 Pd -","- C27.16 H43 N O2 P2 Pd -","- C162.96 H258 N6 O12 P12 Pd6 -","6","0.5","","Johansson, Roger; Öhrström, Lars; Wendt, Ola F.","Hydrogen Bond Control of Dimensionality in Organometallic {2,6-Bis[(di-t-butylphosphino)methyl]phenyl}palladium(II) Compounds: Dimers, Chains, and a 3D-Net with an Apparent Channel Structure","Crystal Growth & Design","2007","7","10","1974","","10.1021/cg060913q","","","0.71073","MoKα","","0.0596","0.0377","","","0.0929","0.0994","","","","","","0.953","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504189","16.7118","0.0017","16.7118","0.0017","19.2905","0.0017","90","","90","","120","","4665.7","0.8","293","2","293","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C26 H40 N O2 P2 Pd -","- C26.325 H43 N O2 P2 Pd -","- C157.95 H258 N6 O12 P12 Pd6 -","6","0.5","","Johansson, Roger; Öhrström, Lars; Wendt, Ola F.","Hydrogen Bond Control of Dimensionality in Organometallic {2,6-Bis[(di-t-butylphosphino)methyl]phenyl}palladium(II) Compounds: Dimers, Chains, and a 3D-Net with an Apparent Channel Structure","Crystal Growth & Design","2007","7","10","1974","","10.1021/cg060913q","","","0.71073","MoKα","","0.067","0.0318","","","0.055","0.0571","","","","","","0.995","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504190","11.9666","0.0017","11.9666","0.0017","15.485","0.003","90","","90","","90","","2217.4","0.6","293","2","293","2","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C7 H7 Cl N2 O4 Pb -","- C7 H7 Cl N2 O4 Pb -","- C56 H56 Cl8 N16 O32 Pb8 -","8","0.5","","Wang, Xian-Wen; Han, Lei; Cai, Tie-Jun; Zheng, Yue-Qing; Chen, Jing-Zhong; Deng, Qian","A Novel Chiral Doubly Folded Interpenetrating 3D Metal-Organic Framework Based on the Flexible Zwitterionic Ligand","Crystal Growth & Design","2007","7","6","1027","","10.1021/cg060922z","","","0.71073","MoKα","","0.0215","0.0204","","","0.0514","0.0518","","","","","","1.166","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504191","6.7169","0.0007","9.0656","0.0008","9.1565","0.001","74.93","0.007","74.262","0.008","70.52","0.007","497.03","0.09","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","catena-((μ6-pyridine-2,4,6-carboxylato)- μ3-hydroxy-aqua-di-manganese(II))","","- C8 H5 Mn2 N O8 -","- C8 H5 Mn2 N O8 -","- C16 H10 Mn4 N2 O16 -","2","1","","Wang, Xian-Wen; Dong, You-Ren; Zheng, Yue-Qing; Chen, Jing-Zhong","A Novel Five-Connected BN Topological Network Metal−Organic Framework Mn(II) Cluster Complex","Crystal Growth & Design","2007","7","4","613","","10.1021/cg060940g","","","0.71073","MoKα","","0.0544","0.0359","","","0.123","0.1621","","","","","","1.185","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504192","22.9851","0.0009","22.9851","0.0009","12.4864","0.001","90","","90","","120","","5713","0.6","273","2","273","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H42 O6 P3 Sb Se6 -","- C18 H42 O6 P3 Sb Se6 -","- C108 H252 O36 P18 Sb6 Se36 -","6","0.333333","","Chang, Hao-Wei; Sarkar, Bijay; Liu, C. W.","Synthesis of Sb2Se3Nanowires via a Solvothermal Route from the Single Source Precursor Sb[Se2P(OiPr)2]3","Crystal Growth & Design","2007","7","12","2691","","10.1021/cg060954m","","","0.71073","MoKα","","0.0461","0.0341","","","0.0866","0.0955","","","","","","1.036","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504193","16.7786","0.0014","18.1213","0.0015","4.7826","0.0004","90","","90","","90","","1454.1","0.2","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","2,3-Phenazinediamine tetrahydrated","2,3-Phenazinediamine tetrahydrated","","- C12 H18 N4 O4 -","- C12 H18 N4 O4 -","- C48 H72 N16 O16 -","4","1","","Upreti, Shailesh; Datta, Ayan; Ramanan, Arunachalam","Role of Nonbonding Interactions in the Crystal Growth of Phenazinediamine Tetrahydrate: New Insights into the Occurrence of 2D Water Layers in Crystal Hydrates","Crystal Growth & Design","2007","7","5","966","","10.1021/cg060958r","","","0.71073","MoKα","","0.0855","0.081","","","0.1931","0.2018","","","","","","1.343","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504194","11.426","0.004","13.704","0.004","14.625","0.005","110.958","0.005","94.824","0.005","93.252","0.006","2121.6","1.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H78 Cu4 N24 O27 S8 -","- C60 H56 Cu4 N24 O27 S8 -","- C60 H56 Cu4 N24 O27 S8 -","1","0.5","","Guo, Dong-Sheng; Liu, Yu","A Novel Supramolecular Assembly Constructed by Cu/imidazole Complex with 1,2-Alternatep-Sulfonatothiacalix[4]arene","Crystal Growth & Design","2007","7","6","1038","","10.1021/cg0700014","","","0.71073","MoKα","","0.1348","0.0633","","","0.1403","0.1741","","","","","","1","","","","has coordinates,has disorder","179576","2020-10-21","18:00:00",""
"4504195","9.9881","0.0005","9.9881","0.0005","19.464","0.002","90","","90","","120","","1681.6","0.2","173","2","173","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C24 H22 Co N6 O4 -","- C24 H22 Co N6 O4 -","- C72 H66 Co3 N18 O12 -","3","0.5","","Montney, Matthew R.; Mallika Krishnan, Subhashree; Patel, Niral M.; Supkowski, Ronald M.; LaDuca, Robert L.","Divalent Metal Succinate/4,4‘-Dipyridylamine Extended Solids: From Helical Chains to Diverse Three-Dimensional Networks Featuring Double, Quadruple, or Self-Interpenetration","Crystal Growth & Design","2007","7","6","1145","","10.1021/cg070008l","","","0.71073","MoKα","","0.0634","0.0426","","","0.0822","0.0872","","","","","","0.963","","","","has coordinates,has disorder","179576","2020-10-21","18:00:00",""
"4504196","15.8537","0.0016","16.7071","0.0017","16.6416","0.0017","90","","90","","90","","4407.8","0.8","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H20 Cl N6 Ni O2 -","- C22 H20 Cl N6 Ni O2 -","- C176 H160 Cl8 N48 Ni8 O16 -","8","1","","Montney, Matthew R.; Mallika Krishnan, Subhashree; Patel, Niral M.; Supkowski, Ronald M.; LaDuca, Robert L.","Divalent Metal Succinate/4,4‘-Dipyridylamine Extended Solids: From Helical Chains to Diverse Three-Dimensional Networks Featuring Double, Quadruple, or Self-Interpenetration","Crystal Growth & Design","2007","7","6","1145","","10.1021/cg070008l","","","0.71073","MoKα","","0.0445","0.037","","","0.088","0.0918","","","","","","1.087","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504197","16.751","0.002","16.751","0.002","40.752","0.012","90","","90","","90","","11435","4","293","2","293","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C14 H14 Cu N3 O4.5 -","- C14 H14 Cu N3 O4.5 -","- C448 H448 Cu32 N96 O144 -","32","1","","Montney, Matthew R.; Mallika Krishnan, Subhashree; Patel, Niral M.; Supkowski, Ronald M.; LaDuca, Robert L.","Divalent Metal Succinate/4,4‘-Dipyridylamine Extended Solids: From Helical Chains to Diverse Three-Dimensional Networks Featuring Double, Quadruple, or Self-Interpenetration","Crystal Growth & Design","2007","7","6","1145","","10.1021/cg070008l","","","0.71073","MoKα","","0.0911","0.0595","","","0.1273","0.1428","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504198","16.9319","0.0017","10.7847","0.0011","18.3104","0.0018","90","","113.265","0.002","90","","3071.7","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 N3 O5 Zn -","- C14 H13 N3 O5 Zn -","- C112 H104 N24 O40 Zn8 -","8","1","","Montney, Matthew R.; Mallika Krishnan, Subhashree; Patel, Niral M.; Supkowski, Ronald M.; LaDuca, Robert L.","Divalent Metal Succinate/4,4‘-Dipyridylamine Extended Solids: From Helical Chains to Diverse Three-Dimensional Networks Featuring Double, Quadruple, or Self-Interpenetration","Crystal Growth & Design","2007","7","6","1145","","10.1021/cg070008l","","","0.71073","MoKα","","0.1378","0.0583","","","0.1219","0.1612","","","","","","1.01","","","","has coordinates,has disorder","179576","2020-10-21","18:00:00",""
"4504199","12.5","0.003","16.55","0.004","14.409","0.004","90","","90","","90","","2980.9","1.3","173","2","173","2","","","","","","","","5","C m c a","-C 2ac 2","64","","","","- C14 H15 Cd N3 O5 -","- C14 H15 Cd N3 O5 -","- C112 H120 Cd8 N24 O40 -","8","","","Montney, Matthew R.; Mallika Krishnan, Subhashree; Patel, Niral M.; Supkowski, Ronald M.; LaDuca, Robert L.","Divalent Metal Succinate/4,4‘-Dipyridylamine Extended Solids: From Helical Chains to Diverse Three-Dimensional Networks Featuring Double, Quadruple, or Self-Interpenetration","Crystal Growth & Design","2007","7","6","1145","","10.1021/cg070008l","","","0.71073","MoKα","","0.05","0.0289","","","0.0657","0.0777","","","","","","1.098","","","","has coordinates","179576","2020-10-21","18:00:00",""
"4504200","9.558","0.002","7.5277","0.0016","25.132","0.006","90","","100.63","0.004","90","","1777.2","0.7","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 Cu N2 O8 -","- C15 H18 Cu N2 O8 -","- C60 H72 Cu4 N8 O32 -","4","1","","Song, Xue-Yan; Li,; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping","Extended Tapes of Cyclic Water Hexamers in an Unusual Oxalate-Bridged One-Dimensional Copper(II) Complex","Crystal Growth & Design","2007","7","7","1220","","10.1021/cg070017u","","","0.71073","MoKα","","0.0938","0.0503","","","0.1234","0.143","","","","","","1.089","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504201","28.08","0.006","13.84","0.003","21.812","0.004","90","","120.14","0.03","90","","7331","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H54 Co4 N12 O20 -","- C78 H54 Co4 N12 O20 -","- C312 H216 Co16 N48 O80 -","4","0.5","","Liu, Cai-Ming; Gao, Song; Zhang, De-Qing; Zhu, Dao-Ben","Three-Dimensional Eight- or Four-Connected Metal−Organic Frameworks Tuned by Hydrothermal Temperatures","Crystal Growth & Design","2007","7","7","1312","","10.1021/cg0700216","","","0.71073","MoKα","","0.0722","0.0516","","","0.1627","0.1734","","","","","","1.007","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504202","21.293","0.004","7.159","0.001","22.218","0.004","90","","105.07","0.03","90","","3270.4","1.1","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C68 H52 Co3 N10 O21 -","- C68 H52 Co3 N10 O21 -","- C136 H104 Co6 N20 O42 -","2","0.5","","Liu, Cai-Ming; Gao, Song; Zhang, De-Qing; Zhu, Dao-Ben","Three-Dimensional Eight- or Four-Connected Metal−Organic Frameworks Tuned by Hydrothermal Temperatures","Crystal Growth & Design","2007","7","7","1312","","10.1021/cg0700216","","","0.71073","MoKα","","0.111","0.0739","","","0.1795","0.2015","","","","","","1.09","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504203","13.6343","0.0006","11.9334","0.0005","13.7862","0.0006","90","","112.796","0.001","90","","2067.86","0.16","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cu N2 O4 S2 -","- C20 H20 Cu N2 O4 S2 -","- C80 H80 Cu4 N8 O16 S8 -","4","1","","Won, Tae-Jin; Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.","Cobalt(II), Copper(II), and Zinc(II) Framework Systems Derived from Ditopic Pyridyl-Acetylacetone and Pyridyl-Pyrazole Ligands","Crystal Growth & Design","2007","7","5","972","","10.1021/cg0700317","","","0.71073","MoKα","","0.0332","0.0271","","","0.0694","0.0725","","","","","","1.031","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504204","11.0421","0.0009","14.8315","0.0012","17.5303","0.0015","90","","102.19","0.001","90","","2806.2","0.4","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 Cl3 Cu N2 O4.5 S2 -","- C21 H21 Cl3 Cu N2 O4.5 S2 -","- C84 H84 Cl12 Cu4 N8 O18 S8 -","4","0.5","","Won, Tae-Jin; Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.","Cobalt(II), Copper(II), and Zinc(II) Framework Systems Derived from Ditopic Pyridyl-Acetylacetone and Pyridyl-Pyrazole Ligands","Crystal Growth & Design","2007","7","5","972","","10.1021/cg0700317","","","0.71073","MoKα","","0.0945","0.0774","","","0.2168","0.2334","","","","","","1.037","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504205","10.72","0.003","14.938","0.004","16.088","0.004","90","","99.899","0.005","90","","2537.9","1.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 N2 O6 S2 Zn -","- C20 H20 N2 O6 S2 Zn -","- C80 H80 N8 O24 S8 Zn4 -","4","0.5","","Won, Tae-Jin; Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.","Cobalt(II), Copper(II), and Zinc(II) Framework Systems Derived from Ditopic Pyridyl-Acetylacetone and Pyridyl-Pyrazole Ligands","Crystal Growth & Design","2007","7","5","972","","10.1021/cg0700317","","","0.71073","MoKα","","0.0649","0.0428","","","0.1085","0.1195","","","","","","1.028","","","","has coordinates,has disorder","179577","2020-10-21","18:00:00",""
"4504206","14.8219","0.0006","14.8219","0.0006","11.5312","0.0007","90","","90","","90","","2533.3","0.2","150","2","150","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C22 H28 N2 O6 S2 Zn -","- C22 H28 N2 O6 S2 Zn -","- C88 H112 N8 O24 S8 Zn4 -","4","0.5","","Won, Tae-Jin; Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.","Cobalt(II), Copper(II), and Zinc(II) Framework Systems Derived from Ditopic Pyridyl-Acetylacetone and Pyridyl-Pyrazole Ligands","Crystal Growth & Design","2007","7","5","972","","10.1021/cg0700317","","","0.71073","MoKα","","0.038","0.0353","","","0.0983","0.0996","","","","","","1.11","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4504207","7.389","0.0008","9.904","0.001","20.499","0.002","90","","90","","90","","1500.1","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 Cl3 Co N3 S -","- C10 H12 Cl3 Co N3 S -","- C40 H48 Cl12 Co4 N12 S4 -","4","1","","Won, Tae-Jin; Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.","Cobalt(II), Copper(II), and Zinc(II) Framework Systems Derived from Ditopic Pyridyl-Acetylacetone and Pyridyl-Pyrazole Ligands","Crystal Growth & Design","2007","7","5","972","","10.1021/cg0700317","","","0.71073","MoKα","","0.0231","0.0224","","","0.0519","0.0521","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4504208","18.016","0.002","9.353","0.001","17.336","0.0019","90","","107.934","0.002","90","","2779.2","0.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H12 Cl2 N3 O0.5 S Zn -","- C10 H12 Cl2 N3 O0.5 S Zn -","- C80 H96 Cl16 N24 O4 S8 Zn8 -","8","1","","Won, Tae-Jin; Clegg, Jack K.; Lindoy, Leonard F.; McMurtrie, John C.","Cobalt(II), Copper(II), and Zinc(II) Framework Systems Derived from Ditopic Pyridyl-Acetylacetone and Pyridyl-Pyrazole Ligands","Crystal Growth & Design","2007","7","5","972","","10.1021/cg0700317","","","0.71073","MoKα","","0.0354","0.0266","","","0.0643","0.0681","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504209","17.1609","0.0012","17.1609","0.0012","12.6734","0.0019","90","","90","","120","","3232.2","0.6","298","2","298","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C21 H12 Co3 N3 O14 -","- C21 H9 Co3 N3 O14 -","- C126 H54 Co18 N18 O84 -","6","0.166667","","Zhang, Xian-Ming; Zheng, Yan-Zhen; Li, Cui-Rui; Zhang, Wei-Xiong; Chen, Xiao-Ming","Unprecedented (3,9)-Connected (42.6)3(46.621.89) Net Constructed by Trinuclear Mixed-Valence Cobalt Clusters","Crystal Growth & Design","2007","7","5","980","","10.1021/cg070038o","","","0.71073","MoKα","","0.0604","0.0489","","","0.1077","0.1224","","","","","","1.108","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504210","17.122","0.003","17.122","0.003","12.53","0.004","90","","90","","120","","3181.2","1.3","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C21 H12 Co3 N3 O14 -","- C21 H9 Co3 N3 O14 -","- C126 H54 Co18 N18 O84 -","6","0.166667","","Zhang, Xian-Ming; Zheng, Yan-Zhen; Li, Cui-Rui; Zhang, Wei-Xiong; Chen, Xiao-Ming","Unprecedented (3,9)-Connected (42.6)3(46.621.89) Net Constructed by Trinuclear Mixed-Valence Cobalt Clusters","Crystal Growth & Design","2007","7","5","980","","10.1021/cg070038o","","","0.71073","MoKα","","0.0665","0.0497","","","0.1073","0.1149","","","","","","1.056","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504211","10.1666","0.0002","11.3757","0.0002","20.3238","0.0006","90","","91.6694","0.0009","90","","2349.49","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(4,4'-bipyridine)silver(I) 1-phenyl-closo-1-monocarbadecaborane acetonitrile clathrate","","- C19 H25 Ag B9 N3 -","- C19 H25 Ag B9 N3 -","- C76 H100 Ag4 B36 N12 -","4","1","","Cunha-Silva, Luís; Ahmad, Ruksanna; Carr, Michael J.; Franken, Andreas; Kennedy, John D.; Hardie, Michaele J.","One-Dimensional Coordination Polymers with Phenyl-carbaborane Anions: Ag(I)/4,4‘-Bipyridine and 2,3-Bis-(2-pyridyl)pyrazine Complexes","Crystal Growth & Design","2007","7","4","658","","10.1021/cg070048p","","","0.71073","MoKα","","0.1158","0.0939","","","0.2211","0.2402","","","","","","1.042","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504212","12.1354","0.0009","20.8408","0.0015","14.1118","0.0011","90","","112.174","0.004","90","","3305.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[(4,4'-bipyridine)(1-phenyl-6,7,8,9,10-pentaiodo-closo-1-monocarbadecaborane)silver(I)] acetonitrile clathrate","","- C19 H20 Ag B9 I5 N3 -","- C19 H20 Ag B9 I5 N3 -","- C76 H80 Ag4 B36 I20 N12 -","4","1","","Cunha-Silva, Luís; Ahmad, Ruksanna; Carr, Michael J.; Franken, Andreas; Kennedy, John D.; Hardie, Michaele J.","One-Dimensional Coordination Polymers with Phenyl-carbaborane Anions: Ag(I)/4,4‘-Bipyridine and 2,3-Bis-(2-pyridyl)pyrazine Complexes","Crystal Growth & Design","2007","7","4","658","","10.1021/cg070048p","","","0.71073","MoKα","","0.0535","0.0386","","","0.0876","0.0962","","","","","","1.135","","","","has coordinates,has disorder","179577","2020-10-21","18:00:00",""
"4504213","9.556","0.0002","11.774","0.0002","16.6977","0.0003","97.0146","0.0007","96.2209","0.0007","109.393","0.0009","1736.45","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[(4,4'-bipyridine)(1-phenyl-7,8,9,10,11,12-hexaiodo-closo-1-monocarbadodecaborane)silver(I)] acetonitrile clathrate","","- C19 H21 Ag B11 I6 N3 -","- C19 H21 Ag B11 I6 N3 -","- C38 H42 Ag2 B22 I12 N6 -","2","1","","Cunha-Silva, Luís; Ahmad, Ruksanna; Carr, Michael J.; Franken, Andreas; Kennedy, John D.; Hardie, Michaele J.","One-Dimensional Coordination Polymers with Phenyl-carbaborane Anions: Ag(I)/4,4‘-Bipyridine and 2,3-Bis-(2-pyridyl)pyrazine Complexes","Crystal Growth & Design","2007","7","4","658","","10.1021/cg070048p","","","0.71073","MoKα","","0.0755","0.0543","","","0.1481","0.1658","","","","","","1.007","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504214","11.8844","0.0002","14.1195","0.0002","15.1552","0.0002","90","","95.362","0.001","90","","2531.94","0.07","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[(2,3-bis(2-pyridyl)pyrazine)(1-phenyl-closo-1-monocarbadecaborane)silver(I)] acetonitrile clathrate","","- C22 H25.5 Ag B9 N4.5 -","- C22 H24 Ag B9 N4.5 -","- C88 H96 Ag4 B36 N18 -","4","1","","Cunha-Silva, Luís; Ahmad, Ruksanna; Carr, Michael J.; Franken, Andreas; Kennedy, John D.; Hardie, Michaele J.","One-Dimensional Coordination Polymers with Phenyl-carbaborane Anions: Ag(I)/4,4‘-Bipyridine and 2,3-Bis-(2-pyridyl)pyrazine Complexes","Crystal Growth & Design","2007","7","4","658","","10.1021/cg070048p","","","0.71073","MoKα","","0.0399","0.0365","","","0.0966","0.1","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504215","12.2071","0.0001","12.8065","0.0001","23.8761","0.0003","98.978","0.001","92.003","0.001","106.649","0.001","3519.73","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","[tri(2,3-bis(2-pyridyl)pyrazine)disilver(I)](1-(4-bromophenyl)-closo-1-monocarbadodecaborane) acetonitrile clathrate","","- C58 H63 Ag2 B22 Br2 N13 -","- C58 H63 Ag2 B22 Br2 N13 -","- C116 H126 Ag4 B44 Br4 N26 -","2","1","","Cunha-Silva, Luís; Ahmad, Ruksanna; Carr, Michael J.; Franken, Andreas; Kennedy, John D.; Hardie, Michaele J.","One-Dimensional Coordination Polymers with Phenyl-carbaborane Anions: Ag(I)/4,4‘-Bipyridine and 2,3-Bis-(2-pyridyl)pyrazine Complexes","Crystal Growth & Design","2007","7","4","658","","10.1021/cg070048p","","","0.71073","MoKα","","0.0958","0.0535","","","0.124","0.1441","","","","","","1.02","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504216","24.6696","0.0006","12.174","0.0004","21.0898","0.0005","90","","124.454","0.002","90","","5222.8","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","[(2,3-bis(2-pyridyl)pyrazine)(1-phenyl-6-bromo-closo-1-monocarbadodecaborane)silver(I)]","","- C21 H23 Ag B9 Br N4 -","- C21 H23 Ag B9 Br N4 -","- C168 H184 Ag8 B72 Br8 N32 -","8","1","","Cunha-Silva, Luís; Ahmad, Ruksanna; Carr, Michael J.; Franken, Andreas; Kennedy, John D.; Hardie, Michaele J.","One-Dimensional Coordination Polymers with Phenyl-carbaborane Anions: Ag(I)/4,4‘-Bipyridine and 2,3-Bis-(2-pyridyl)pyrazine Complexes","Crystal Growth & Design","2007","7","4","658","","10.1021/cg070048p","","","0.71073","MoKα","","0.1485","0.1254","","","0.3882","0.4117","","","","","","1.667","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504217","12.2599","0.0009","12.1377","0.0009","21.1716","0.0016","90","","90","","90","","3150.5","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H14 Cu2 F8 N2 O8 -","- C34 H14 Cu2 F8 N2 O8 -","- C136 H56 Cu8 F32 N8 O32 -","4","0.5","","Wang, Zhenqiang; Kravtsov, Victor Ch.; Walsh, Rosa B.; Zaworotko, Michael J.","Guest-Dependent Cavities in Two-Dimensional Metal−Organic Frameworks Sustained by Tetrafluoro-1,3-benzenedicarboxylate","Crystal Growth & Design","2007","7","6","1154","","10.1021/cg070055d","","","0.71073","MoKα","","0.0641","0.0476","","","0.0981","0.1047","","","","","","1.089","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504218","11.2399","0.0009","12.9837","0.0011","13.4073","0.0011","89.579","0.001","67.174","0.001","79.601","0.001","1769.5","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H16 Cl Cu2 F8 N2 O8 -","- C37 H14 Cl Cu2 F8 N2 O8 -","- C74 H28 Cl2 Cu4 F16 N4 O16 -","2","1","","Wang, Zhenqiang; Kravtsov, Victor Ch.; Walsh, Rosa B.; Zaworotko, Michael J.","Guest-Dependent Cavities in Two-Dimensional Metal−Organic Frameworks Sustained by Tetrafluoro-1,3-benzenedicarboxylate","Crystal Growth & Design","2007","7","6","1154","","10.1021/cg070055d","","","0.71073","MoKα","","0.0593","0.0442","","","0.0998","0.1075","","","","","","1.026","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504219","11.3895","0.0011","12.7032","0.0012","13.2957","0.0013","89.2","0.002","69.464","0.002","78.878","0.002","1764.6","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H16 Cl0.5 Cu2 F8 N2 O8 -","- C37 H16 Cl0.5 Cu2 F8 N2 O8 -","- C74 H32 Cl Cu4 F16 N4 O16 -","2","1","","Wang, Zhenqiang; Kravtsov, Victor Ch.; Walsh, Rosa B.; Zaworotko, Michael J.","Guest-Dependent Cavities in Two-Dimensional Metal−Organic Frameworks Sustained by Tetrafluoro-1,3-benzenedicarboxylate","Crystal Growth & Design","2007","7","6","1154","","10.1021/cg070055d","","","0.71073","MoKα","","0.074","0.0539","","","0.1258","0.137","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504220","13.2869","0.001","13.5884","0.0011","19.2207","0.0015","90","","103.692","0.001","90","","3371.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Cu2 F8 O12 -","- C30 H30 Cu2 F8 O12 -","- C120 H120 Cu8 F32 O48 -","4","1","","Wang, Zhenqiang; Kravtsov, Victor Ch.; Walsh, Rosa B.; Zaworotko, Michael J.","Guest-Dependent Cavities in Two-Dimensional Metal−Organic Frameworks Sustained by Tetrafluoro-1,3-benzenedicarboxylate","Crystal Growth & Design","2007","7","6","1154","","10.1021/cg070055d","","","0.71073","MoKα","","0.0868","0.0535","","","0.1151","0.1289","","","","","","1.026","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504221","13.0006","0.0014","12.9131","0.0013","20.042","0.002","90","","103.889","0.002","90","","3266.2","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H21.5 Cu2 F8.5 N2 O9.25 -","- C30.896 H13 Cu2 F8.576 N2 O9.16 -","- C123.584 H52 Cu8 F34.304 N8 O36.64 -","4","1","","Wang, Zhenqiang; Kravtsov, Victor Ch.; Walsh, Rosa B.; Zaworotko, Michael J.","Guest-Dependent Cavities in Two-Dimensional Metal−Organic Frameworks Sustained by Tetrafluoro-1,3-benzenedicarboxylate","Crystal Growth & Design","2007","7","6","1154","","10.1021/cg070055d","","","0.71073","MoKα","","0.1124","0.0565","","","0.1152","0.1271","","","","","","0.923","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504222","17.1422","0.0008","27.0769","0.0012","19.0568","0.0009","90","","95.093","0.001","90","","8810.4","0.7","150","1","150","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H70.5 B6 F24 N29.5 O3 Zn3 -","- C56 H70.5 B6 F24 N29.5 O3 Zn3 -","- C224 H282 B24 F96 N118 O12 Zn12 -","4","1","","Reger, Daniel L.; Watson, Russell P.; Smith, Mark D.; Pellechia, Perry J.","Metallacyclic Zinc Complexes of Alkylidene-Linked Bitopic Bis(pyrazolyl)methane Ligands: Unusual Exocyclic Bridging Fluoride Ligands","Crystal Growth & Design","2007","7","6","1163","","10.1021/cg070078s","","","0.71073","MoKα","","0.0839","0.0492","","","0.1187","0.1277","","","","","","0.878","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504223","16.3869","0.0006","12.7873","0.0005","43.2225","0.0017","90","","91.901","0.001","90","","9052","0.6","150","1","150","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H40 B3 F13 N17 O0.5 Zn2 -","- C34 H39 B3 F13 N17 O0.5 Zn2 -","- C272 H312 B24 F104 N136 O4 Zn16 -","8","1","","Reger, Daniel L.; Watson, Russell P.; Smith, Mark D.; Pellechia, Perry J.","Metallacyclic Zinc Complexes of Alkylidene-Linked Bitopic Bis(pyrazolyl)methane Ligands: Unusual Exocyclic Bridging Fluoride Ligands","Crystal Growth & Design","2007","7","6","1163","","10.1021/cg070078s","","","0.71073","MoKα","","0.07","0.0463","","","0.1031","0.1119","","","","","","0.937","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4504224","20.5797","0.0012","15.8645","0.0009","28.6555","0.0017","90","","96.286","0.001","90","","9299.4","0.9","150","1","150","1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59 H82 B6 F24 N28 O5 Zn3 -","- C59 H82 B6 F24 N28 O5 Zn3 -","- C236 H328 B24 F96 N112 O20 Zn12 -","4","0.5","","Reger, Daniel L.; Watson, Russell P.; Smith, Mark D.; Pellechia, Perry J.","Metallacyclic Zinc Complexes of Alkylidene-Linked Bitopic Bis(pyrazolyl)methane Ligands: Unusual Exocyclic Bridging Fluoride Ligands","Crystal Growth & Design","2007","7","6","1163","","10.1021/cg070078s","","","0.71073","MoKα","","0.0797","0.0694","","","0.206","0.2133","","","","","","1.102","","","","has coordinates,has disorder","179577","2020-10-21","18:00:00",""
"4504225","10.374","","10.122","","12.521","","90","","96.62","","90","","1306.01","","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Ag2 B2 F8 N6 -","- C24 H18 Ag2 B2 F8 N6 -","- C48 H36 Ag4 B4 F16 N12 -","2","0.5","","Li, Xiang-Ping; Pan, Mei; Zheng, Sheng-Run; Liu, Yong-Ru; He, Qi-Ting; Kang, Bei-Sheng; Su, Cheng-Yong","Dimension Increase via Hydrogen Bonding and Weak Coordination Interactions from Simple Complexes of 2-(Pyridyl)benzimidazole Ligands","Crystal Growth & Design","2007","7","12","2481","","10.1021/cg070080j","","","0.71073","MoKα","","0.0289","0.0241","","","0.0623","0.065","","","","","","1.088","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504226","8.314","","9.078","","9.898","","106.08","","96.76","","116.83","","614.345","","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H9 Ag N4 O3 -","- C12 H9 Ag N4 O3 -","- C24 H18 Ag2 N8 O6 -","2","1","","Li, Xiang-Ping; Pan, Mei; Zheng, Sheng-Run; Liu, Yong-Ru; He, Qi-Ting; Kang, Bei-Sheng; Su, Cheng-Yong","Dimension Increase via Hydrogen Bonding and Weak Coordination Interactions from Simple Complexes of 2-(Pyridyl)benzimidazole Ligands","Crystal Growth & Design","2007","7","12","2481","","10.1021/cg070080j","","","0.71073","MoKα","","0.0378","0.0311","","","0.0844","0.0873","","","","","","1.049","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504227","8.238","0.002","9.466","0.002","9.944","0.002","107.55","0.03","106.65","0.03","105.25","0.03","654.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Ag2 Cl2 N6 O8 -","- C24 H18 Ag2 Cl2 N6 O8 -","- C24 H18 Ag2 Cl2 N6 O8 -","1","0.5","","Li, Xiang-Ping; Pan, Mei; Zheng, Sheng-Run; Liu, Yong-Ru; He, Qi-Ting; Kang, Bei-Sheng; Su, Cheng-Yong","Dimension Increase via Hydrogen Bonding and Weak Coordination Interactions from Simple Complexes of 2-(Pyridyl)benzimidazole Ligands","Crystal Growth & Design","2007","7","12","2481","","10.1021/cg070080j","","","0.71073","MoKα","","0.062","0.0613","","","0.1759","0.1769","","","","","","1.046","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504228","10.774","0.002","16.613","0.002","8.481","0.004","90","","98.97","","90","","1499.4","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Ag F3 N3 O3 S -","- C13 H9 Ag F3 N3 O3 S -","- C52 H36 Ag4 F12 N12 O12 S4 -","4","1","","Li, Xiang-Ping; Pan, Mei; Zheng, Sheng-Run; Liu, Yong-Ru; He, Qi-Ting; Kang, Bei-Sheng; Su, Cheng-Yong","Dimension Increase via Hydrogen Bonding and Weak Coordination Interactions from Simple Complexes of 2-(Pyridyl)benzimidazole Ligands","Crystal Growth & Design","2007","7","12","2481","","10.1021/cg070080j","","","0.71073","MoKα","","0.1097","0.066","","","0.1483","0.1707","","","","","","1.028","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504229","18.125","0.002","13.0397","0.0015","11.0126","0.0012","90","","90","","90","","2602.8","0.5","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C12 H11 Ag N4 O4 -","- C12 H11 Ag N4 O4 -","- C96 H88 Ag8 N32 O32 -","8","","","Li, Xiang-Ping; Pan, Mei; Zheng, Sheng-Run; Liu, Yong-Ru; He, Qi-Ting; Kang, Bei-Sheng; Su, Cheng-Yong","Dimension Increase via Hydrogen Bonding and Weak Coordination Interactions from Simple Complexes of 2-(Pyridyl)benzimidazole Ligands","Crystal Growth & Design","2007","7","12","2481","","10.1021/cg070080j","","","0.71073","MoKα","","0.0272","0.0208","","","0.0517","0.0556","","","","","","1.002","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504230","10.714","0.002","16.729","0.002","7.669","0.003","90","","96.5","","90","","1365.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cl2 Cu N6 O10 -","- C24 H22 Cl2 Cu N6 O10 -","- C48 H44 Cl4 Cu2 N12 O20 -","2","0.5","","Li, Xiang-Ping; Pan, Mei; Zheng, Sheng-Run; Liu, Yong-Ru; He, Qi-Ting; Kang, Bei-Sheng; Su, Cheng-Yong","Dimension Increase via Hydrogen Bonding and Weak Coordination Interactions from Simple Complexes of 2-(Pyridyl)benzimidazole Ligands","Crystal Growth & Design","2007","7","12","2481","","10.1021/cg070080j","","","0.71073","MoKα","","0.0656","0.0494","","","0.1227","0.134","","","","","","0.975","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504231","7.6579","0.0016","9.948","0.002","11.14","0.002","86.299","0.004","71.545","0.004","81.353","0.004","795.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 Co0.5 N4 O7 -","- C12 H17 Co0.5 N4 O7 -","- C24 H34 Co N8 O14 -","2","1","","Li, Xiang-Ping; Pan, Mei; Zheng, Sheng-Run; Liu, Yong-Ru; He, Qi-Ting; Kang, Bei-Sheng; Su, Cheng-Yong","Dimension Increase via Hydrogen Bonding and Weak Coordination Interactions from Simple Complexes of 2-(Pyridyl)benzimidazole Ligands","Crystal Growth & Design","2007","7","12","2481","","10.1021/cg070080j","","","0.71073","MoKα","","0.0695","0.0504","","","0.1296","0.1444","","","","","","1.068","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504232","7.0234","0.001","11.5342","0.001","14.1741","0.001","90","","100.793","0.01","90","","1127.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Cl2 Cu N6 O2 -","- C24 H22 Cl2 Cu N6 O2 -","- C48 H44 Cl4 Cu2 N12 O4 -","2","0.5","","Li, Xiang-Ping; Pan, Mei; Zheng, Sheng-Run; Liu, Yong-Ru; He, Qi-Ting; Kang, Bei-Sheng; Su, Cheng-Yong","Dimension Increase via Hydrogen Bonding and Weak Coordination Interactions from Simple Complexes of 2-(Pyridyl)benzimidazole Ligands","Crystal Growth & Design","2007","7","12","2481","","10.1021/cg070080j","","","0.71073","MoKα","","0.0598","0.0347","","","0.0832","0.0883","","","","","","1.036","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504233","7.426","","8.957","","9.773","","97.17","","105.17","","90.86","","621.718","","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 N8 O8 Zn -","- C24 H22 N8 O8 Zn -","- C24 H22 N8 O8 Zn -","1","0.5","","Li, Xiang-Ping; Pan, Mei; Zheng, Sheng-Run; Liu, Yong-Ru; He, Qi-Ting; Kang, Bei-Sheng; Su, Cheng-Yong","Dimension Increase via Hydrogen Bonding and Weak Coordination Interactions from Simple Complexes of 2-(Pyridyl)benzimidazole Ligands","Crystal Growth & Design","2007","7","12","2481","","10.1021/cg070080j","","","0.71073","MoKα","","0.0303","0.0272","","","0.0766","0.079","","","","","","1.049","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504234","8.148","","9.688","","11.095","","103.06","","97.85","","104.11","","810.214","","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 Cu N3 O4 -","- C16 H15 Cu N3 O4 -","- C32 H30 Cu2 N6 O8 -","2","1","","Li, Xiang-Ping; Pan, Mei; Zheng, Sheng-Run; Liu, Yong-Ru; He, Qi-Ting; Kang, Bei-Sheng; Su, Cheng-Yong","Dimension Increase via Hydrogen Bonding and Weak Coordination Interactions from Simple Complexes of 2-(Pyridyl)benzimidazole Ligands","Crystal Growth & Design","2007","7","12","2481","","10.1021/cg070080j","","","0.71073","MoKα","","0.0394","0.0322","","","0.0914","0.0977","","","","","","1.036","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504235","14.564","0.003","17.469","0.004","15.039","0.003","90","","91.97","0.03","90","","3823.9","1.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C15 H30 Cu7 I7 N5 -","- C15 H24 Cu7 I7 N5 -","- C60 H96 Cu28 I28 N20 -","4","0.5","","Bi, Minghui; Li, Guanghua; Hua, Jia; Liu, Yunling; Liu, Xiaomin; Hu, Yawei; Shi, Zhan; Feng, Shouhua","Two Isomers with FSC Topology Constructed from Cu6I6(DABCO)4and Cu8I8(DABCO)6Building Blocks","Crystal Growth & Design","2007","7","10","2066","","10.1021/cg0700824","","","0.71073","MoKα","","0.0762","0.0529","","","0.1321","0.1432","","","","","","1.042","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504236","10.29","0.002","11.102","0.002","17.022","0.003","82.3","0.03","88.41","0.03","69.13","0.03","1800.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C3.33 H6.67 Cu1.56 I1.56 N1.11 -","- C3.33333 H5.33333 Cu1.55333 I1.55556 N1.11111 -","- C30 H48 Cu13.98 I14 N10 -","9","4.5","","Bi, Minghui; Li, Guanghua; Hua, Jia; Liu, Yunling; Liu, Xiaomin; Hu, Yawei; Shi, Zhan; Feng, Shouhua","Two Isomers with FSC Topology Constructed from Cu6I6(DABCO)4and Cu8I8(DABCO)6Building Blocks","Crystal Growth & Design","2007","7","10","2066","","10.1021/cg0700824","","","0.71073","MoKα","","0.0483","0.0359","","","0.0767","0.0826","","","","","","1.082","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504237","11.242","0.003","16.963","0.004","13.898","0.004","90","","90","","90","","2650.3","1.2","123","2","123","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C18 H28 Cu3 N4 O17 -","- C18 H28 Cu3 N4 O17 -","- C72 H112 Cu12 N16 O68 -","4","0.5","","Chen, Wen-Xian; Wu, Shu-Ting; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Construction of a Three-fold Parallel Interpenetration Network and Bilayer Structure Based on Copper(II) and Trimesic Acid","Crystal Growth & Design","2007","7","6","1171","","10.1021/cg070119k","","","0.71073","MoKα","","0.085","0.0789","","","0.1854","0.1899","","","","","","1.134","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504238","18.887","0.004","10.761","0.002","14.488","0.003","90","","126.1","0.003","90","","2379.2","0.8","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 Cu4 N4 O16 -","- C18 H24 Cu4 N4 O16 -","- C72 H96 Cu16 N16 O64 -","4","0.5","","Chen, Wen-Xian; Wu, Shu-Ting; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Construction of a Three-fold Parallel Interpenetration Network and Bilayer Structure Based on Copper(II) and Trimesic Acid","Crystal Growth & Design","2007","7","6","1171","","10.1021/cg070119k","","","0.71073","MoKα","","0.0268","0.0257","","","0.0692","0.0699","","","","","","1.076","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504239","24.347","0.003","10.9654","0.0015","19.683","0.002","90","","109.054","0.004","90","","4967","1.1","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 N4 O2 -","- C30 H28 N4 O2 -","- C240 H224 N32 O16 -","8","1","","Rafilovich, Michal; Bernstein, Joel; Hickey, Magali B.; Tauber, Michael","Benzidine: A Co-Crystallization Agent for Proton Acceptors","Crystal Growth & Design","2007","7","9","1777","","10.1021/cg0701325","","","0.71073","MoKα","","0.0761","0.045","","","0.1109","0.1302","","","","","","1.03","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504240","36.415","0.006","9.5649","0.0015","24.719","0.004","90","","131.294","0.004","90","","6468.8","1.8","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H35 N2 O3.5 S2 -","- C36 H35 N2 O3.5 S2 -","- C288 H280 N16 O28 S16 -","8","1","","Rafilovich, Michal; Bernstein, Joel; Hickey, Magali B.; Tauber, Michael","Benzidine: A Co-Crystallization Agent for Proton Acceptors","Crystal Growth & Design","2007","7","9","1777","","10.1021/cg0701325","","","0.71073","MoKα","","0.1638","0.049","","","0.1063","0.1468","","","","","","0.937","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504241","11.074","0.002","18.891","0.003","12.097","0.002","90","","103.069","0.005","90","","2465.1","0.7","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H27 N2 O P -","- C30 H27 N2 O P -","- C120 H108 N8 O4 P4 -","4","1","","Rafilovich, Michal; Bernstein, Joel; Hickey, Magali B.; Tauber, Michael","Benzidine: A Co-Crystallization Agent for Proton Acceptors","Crystal Growth & Design","2007","7","9","1777","","10.1021/cg0701325","","","0.71073","MoKα","","0.0796","0.049","","","0.1295","0.1515","","","","","","0.974","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504242","28.129","0.006","25.034","0.005","15.343","0.003","90","","90","","90","","10804","4","150","2","150","2","","","","","","","","5","C m c a","-C 2ac 2","64","Copper(II) terephthalate","","","- C23 H27 Cu2 N2 O11.5 -","- C23.816 H20.5 Cu2 N2 O11.908 -","- C381.056 H328 Cu32 N32 O190.528 -","16","","","Xue, Dong-Xu; Lin, Yan-Yong; Cheng, Xiao-Ning; Chen, Xiao-Ming","A Tetracarboxylate−Bridged Dicopper(II) Paddle-Wheel-Based 2-D Porous Coordination Polymer with Gas Sorption Properties","Crystal Growth & Design","2007","7","7","1332","","10.1021/cg070144q","","","0.71073","MoKα","","0.1088","0.0706","","","0.1571","0.1817","","","","","","1.036","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504243","27.948","0.005","25.11","0.005","15.232","0.003","90","","90","","90","","10689","4","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","Copper(II) terephthalate","","","- C19 H16 Cu2 N O10 -","- C19 H17 Cu2 N O10 -","- C304 H272 Cu32 N16 O160 -","16","","","Xue, Dong-Xu; Lin, Yan-Yong; Cheng, Xiao-Ning; Chen, Xiao-Ming","A Tetracarboxylate−Bridged Dicopper(II) Paddle-Wheel-Based 2-D Porous Coordination Polymer with Gas Sorption Properties","Crystal Growth & Design","2007","7","7","1332","","10.1021/cg070144q","","","0.71073","MoKα","","0.1536","0.0931","","","0.1965","0.2243","","","","","","1.052","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504244","9.3753","0.0011","19.717","0.003","9.866","0.0013","90","","90","","90","","1823.8","0.4","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H20 N2 O6 -","- C19 H20 N2 O6 -","- C76 H80 N8 O24 -","4","1","","López, Concepción; Claramunt, Rosa M.; García, María Ángeles; Pinilla, Elena; Torres, M. Rosario; Alkorta, Ibon; Elguero, José","Cocrystals of 3,5-Dimethyl-1H-pyrazole and Salicylic Acid: Controlled Formation of Trimers via O−H···N Hydrogen Bonds†","Crystal Growth & Design","2007","7","6","1176","","10.1021/cg0701527","","","0.71073","MoKα","","0.1572","0.0402","","","0.0679","0.0893","","","","","","0.795","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504245","7.751","0.008","10.954","0.011","20.77","0.02","90","","92.3","0.02","90","","1762","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 N4 O3 -","- C17 H22 N4 O3 -","- C68 H88 N16 O12 -","4","1","","López, Concepción; Claramunt, Rosa M.; García, María Ángeles; Pinilla, Elena; Torres, M. Rosario; Alkorta, Ibon; Elguero, José","Cocrystals of 3,5-Dimethyl-1H-pyrazole and Salicylic Acid: Controlled Formation of Trimers via O−H···N Hydrogen Bonds†","Crystal Growth & Design","2007","7","6","1176","","10.1021/cg0701527","","","0.71073","MoKα","","0.1451","0.0566","","","0.1436","0.1819","","","","","","0.883","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504246","8.1241","0.0008","12.9932","0.0012","11.6524","0.0011","90","","94.967","0.002","90","","1225.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 F N3 O3 -","- C13 H10 F N3 O3 -","- C52 H40 F4 N12 O12 -","4","1","","Reddy, L. Sreenivas; Chandran, Sreekanth K.; George, Sumod; Babu, N. Jagadeesh; Nangia, Ashwini","Crystal Structures ofN-Aryl-N'-4-Nitrophenyl Ureas: Molecular Conformation and Weak Interactions Direct the Strong Hydrogen Bond Synthon","Crystal Growth & Design","2007","7","12","2675","2690","10.1021/cg070155j","","","0.71073","MoKα","","0.0922","0.0521","","","0.1496","0.1731","","","","","","1.096","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504247","7.919","0.004","13.692","0.006","11.777","0.006","90","","94.517","0.01","90","","1273","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N4 O3 -","- C14 H10 N4 O3 -","- C56 H40 N16 O12 -","4","1","","Reddy, L. Sreenivas; Chandran, Sreekanth K.; George, Sumod; Babu, N. Jagadeesh; Nangia, Ashwini","Crystal Structures ofN-Aryl-N'-4-Nitrophenyl Ureas: Molecular Conformation and Weak Interactions Direct the Strong Hydrogen Bond Synthon","Crystal Growth & Design","2007","7","12","2675","2690","10.1021/cg070155j","","","0.71073","MoKα","","0.097","0.0501","","","0.1361","0.1527","","","","","","0.971","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504248","8.4419","0.0017","12.987","0.003","12.399","0.003","90","","96.59","0.03","90","","1350.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 I N3 O3 -","- C13 H10 I N3 O3 -","- C52 H40 I4 N12 O12 -","4","1","","Reddy, L. Sreenivas; Chandran, Sreekanth K.; George, Sumod; Babu, N. Jagadeesh; Nangia, Ashwini","Crystal Structures ofN-Aryl-N'-4-Nitrophenyl Ureas: Molecular Conformation and Weak Interactions Direct the Strong Hydrogen Bond Synthon","Crystal Growth & Design","2007","7","12","2675","2690","10.1021/cg070155j","","","0.71073","MoKα","","0.0963","0.0647","","","0.159","0.1775","","","","","","0.912","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504249","8.4078","0.0009","12.7289","0.0013","12.3376","0.0013","90","","97.552","0.002","90","","1308.9","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N-(3-bromophenyl)-N'-(4-nitrophenyl)urea","N-(3-bromophenyl)-N'-(4-nitrophenyl)urea","","- C13 H10 Br N3 O3 -","- C13 H10 Br N3 O3 -","- C52 H40 Br4 N12 O12 -","4","1","","Reddy, L. Sreenivas; Chandran, Sreekanth K.; George, Sumod; Babu, N. Jagadeesh; Nangia, Ashwini","Crystal Structures ofN-Aryl-N'-4-Nitrophenyl Ureas: Molecular Conformation and Weak Interactions Direct the Strong Hydrogen Bond Synthon","Crystal Growth & Design","2007","7","12","2675","2690","10.1021/cg070155j","","","0.71073","MoKα","","0.1042","0.0481","","","0.095","0.1137","","","","","","0.967","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504250","6.8807","0.0005","12.7415","0.001","15.2876","0.0011","84.972","0.001","81.159","0.001","80.654","0.001","1304.06","0.17","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C56 H52 N12 O12 -","4","2","","Reddy, L. Sreenivas; Chandran, Sreekanth K.; George, Sumod; Babu, N. Jagadeesh; Nangia, Ashwini","Crystal Structures ofN-Aryl-N'-4-Nitrophenyl Ureas: Molecular Conformation and Weak Interactions Direct the Strong Hydrogen Bond Synthon","Crystal Growth & Design","2007","7","12","2675","2690","10.1021/cg070155j","","","0.71073","MoKα","","0.0544","0.0433","","","0.1163","0.1245","","","","","","1.037","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504251","9.4442","0.0019","7.3883","0.0015","23.863","0.005","90","","97.73","0.03","90","","1649.9","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N4 O4 -","- C16 H18 N4 O4 -","- C64 H72 N16 O16 -","4","1","","Reddy, L. Sreenivas; Chandran, Sreekanth K.; George, Sumod; Babu, N. Jagadeesh; Nangia, Ashwini","Crystal Structures ofN-Aryl-N'-4-Nitrophenyl Ureas: Molecular Conformation and Weak Interactions Direct the Strong Hydrogen Bond Synthon","Crystal Growth & Design","2007","7","12","2675","2690","10.1021/cg070155j","","","0.71073","MoKα","","0.1977","0.0783","","","0.1839","0.2408","","","","","","1.093","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504252","7.9488","0.0007","10.4797","0.0009","11.9563","0.001","114.671","0.001","95.441","0.002","101.2","0.001","870.37","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","DMF solvate of N-(4-cyanophenyl)-N'-(4-nitrophenyl)urea","","- C17 H17 N5 O4 -","- C17 H17 N5 O4 -","- C34 H34 N10 O8 -","2","1","","Reddy, L. Sreenivas; Chandran, Sreekanth K.; George, Sumod; Babu, N. Jagadeesh; Nangia, Ashwini","Crystal Structures ofN-Aryl-N'-4-Nitrophenyl Ureas: Molecular Conformation and Weak Interactions Direct the Strong Hydrogen Bond Synthon","Crystal Growth & Design","2007","7","12","2675","2690","10.1021/cg070155j","","","0.71073","MoKα","","0.1107","0.0619","","","0.1542","0.181","","","","","","1.017","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504253","7.4728","0.001","10.2624","0.0014","12.541","0.0017","105.841","0.002","104.695","0.003","95.11","0.003","881.9","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","N-(4-carboxamidophenyl)-N'-(nitrophenyl)urea.DMF","N-(4-carboxamidophenyl)-N'-(nitrophenyl)urea.DMF","","- C17 H19 N5 O5 -","- C17 H19 N5 O5 -","- C34 H38 N10 O10 -","2","1","","Reddy, L. Sreenivas; Chandran, Sreekanth K.; George, Sumod; Babu, N. Jagadeesh; Nangia, Ashwini","Crystal Structures ofN-Aryl-N'-4-Nitrophenyl Ureas: Molecular Conformation and Weak Interactions Direct the Strong Hydrogen Bond Synthon","Crystal Growth & Design","2007","7","12","2675","2690","10.1021/cg070155j","","","0.71073","MoKα","","0.0974","0.0632","","","0.1543","0.174","","","","","","1.027","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504254","10.184","0.002","13.346","0.003","15.502","0.003","66.82","0.03","88.22","0.03","68.75","0.03","1789.8","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","DMSO solvate of N-(4-iodophenyl)-N'-(4'-nitrophenyl)-urea","","- C15 H16 I N3 O4 S -","- C15 H16 I N3 O4 S -","- C60 H64 I4 N12 O16 S4 -","4","2","","Reddy, L. Sreenivas; Chandran, Sreekanth K.; George, Sumod; Babu, N. Jagadeesh; Nangia, Ashwini","Crystal Structures ofN-Aryl-N'-4-Nitrophenyl Ureas: Molecular Conformation and Weak Interactions Direct the Strong Hydrogen Bond Synthon","Crystal Growth & Design","2007","7","12","2675","2690","10.1021/cg070155j","","","0.71073","MoKα","","0.1665","0.0768","","","0.1835","0.2286","","","","","","1.013","","","","has coordinates","211134","2020-10-21","18:00:00",""
"4504255","8.4835","0.0013","9.569","0.0014","11.8457","0.0018","105.069","0.003","103.506","0.003","98.203","0.003","881.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","DMSO solvate of N-(4-nitropheny)-N'-(4-carboxamidophenyl)-urea","DMSO solvate of N-(4-nitropheny)-N'-(4-carboxamidophenyl)-urea","","- C16 H18 N4 O5 S -","- C16 H18 N4 O5 S -","- C32 H36 N8 O10 S2 -","2","1","","Reddy, L. Sreenivas; Chandran, Sreekanth K.; George, Sumod; Babu, N. Jagadeesh; Nangia, Ashwini","Crystal Structures ofN-Aryl-N'-4-Nitrophenyl Ureas: Molecular Conformation and Weak Interactions Direct the Strong Hydrogen Bond Synthon","Crystal Growth & Design","2007","7","12","2675","2690","10.1021/cg070155j","","","0.71073","MoKα","","0.1315","0.0626","","","0.1123","0.1368","","","","","","0.974","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504256","16.0665","0.001","5.7448","0.0004","39.1","0.003","90","","100.115","0.002","90","","3552.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N3 O4 S -","- C16 H19 N3 O4 S -","- C128 H152 N24 O32 S8 -","8","2","","Reddy, L. Sreenivas; Chandran, Sreekanth K.; George, Sumod; Babu, N. Jagadeesh; Nangia, Ashwini","Crystal Structures ofN-Aryl-N'-4-Nitrophenyl Ureas: Molecular Conformation and Weak Interactions Direct the Strong Hydrogen Bond Synthon","Crystal Growth & Design","2007","7","12","2675","2690","10.1021/cg070155j","","","0.71073","MoKα","","0.1569","0.0649","","","0.1891","0.2356","","","","","","0.867","","","","has coordinates","211134","2020-10-21","18:00:00",""
"4504257","6.0509","0.0006","12.4575","0.0012","12.5937","0.0011","78.12","0.002","82.891","0.002","80.105","0.002","911.3","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 N3 O5 S -","- C17 H19 N3 O5 S -","- C34 H38 N6 O10 S2 -","2","1","","Reddy, L. Sreenivas; Chandran, Sreekanth K.; George, Sumod; Babu, N. Jagadeesh; Nangia, Ashwini","Crystal Structures ofN-Aryl-N'-4-Nitrophenyl Ureas: Molecular Conformation and Weak Interactions Direct the Strong Hydrogen Bond Synthon","Crystal Growth & Design","2007","7","12","2675","2690","10.1021/cg070155j","","","0.71073","MoKα","","0.098","0.0531","","","0.1352","0.1559","","","","","","0.889","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504258","9.1958","0.001","9.5491","0.001","10.5716","0.0011","69.999","0.001","79.348","0.001","69.591","0.001","815.29","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H15 F2 N3 O4 S -","- C15 H15 F2 N3 O4 S -","- C30 H30 F4 N6 O8 S2 -","2","1","","Reddy, L. Sreenivas; Chandran, Sreekanth K.; George, Sumod; Babu, N. Jagadeesh; Nangia, Ashwini","Crystal Structures ofN-Aryl-N'-4-Nitrophenyl Ureas: Molecular Conformation and Weak Interactions Direct the Strong Hydrogen Bond Synthon","Crystal Growth & Design","2007","7","12","2675","2690","10.1021/cg070155j","","","0.71073","MoKα","","0.0393","0.0365","","","0.096","0.0979","","","","","","1.048","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504259","6.7307","0.001","10.2019","0.0015","10.284","0.0015","77.995","0.003","84.11","0.003","75.686","0.003","668.3","0.17","298","2","298","2","","","","","","","","4","P -1","-P 1","2","hydrate of N-(4-nitropheny)-N'-(3-hydroxyphenyl)-urea","hydrate of N-(4-nitropheny)-N'-(3-hydroxyphenyl)-urea","","- C13 H13 N3 O5 -","- C13 H13 N3 O5 -","- C26 H26 N6 O10 -","2","1","","Reddy, L. Sreenivas; Chandran, Sreekanth K.; George, Sumod; Babu, N. Jagadeesh; Nangia, Ashwini","Crystal Structures ofN-Aryl-N'-4-Nitrophenyl Ureas: Molecular Conformation and Weak Interactions Direct the Strong Hydrogen Bond Synthon","Crystal Growth & Design","2007","7","12","2675","2690","10.1021/cg070155j","","","0.71073","MoKα","","0.0842","0.0502","","","0.1125","0.128","","","","","","1.003","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504260","6.071","0.0012","7.5613","0.0015","31.715","0.006","89.95","0.03","87.01","0.03","85.23","0.03","1448.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N4 O3 -","- C15 H16 N4 O3 -","- C60 H64 N16 O12 -","4","2","","Reddy, L. Sreenivas; Chandran, Sreekanth K.; George, Sumod; Babu, N. Jagadeesh; Nangia, Ashwini","Crystal Structures ofN-Aryl-N'-4-Nitrophenyl Ureas: Molecular Conformation and Weak Interactions Direct the Strong Hydrogen Bond Synthon","Crystal Growth & Design","2007","7","12","2675","2690","10.1021/cg070155j","","","0.71073","MoKα","","0.18","0.0749","","","0.1893","0.2719","","","","","","1.025","","","","has coordinates","211134","2020-10-21","18:00:00",""
"4504261","14.3837","0.0015","9.3167","0.001","13.3889","0.0014","90","","104.847","0.002","90","","1734.3","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(4'-iodobiphenyl)-4'-(nitrophenyl)-urea","","- C19 H14 I N3 O3 -","- C19 H14 I N3 O3 -","- C76 H56 I4 N12 O12 -","4","1","","Reddy, L. Sreenivas; Chandran, Sreekanth K.; George, Sumod; Babu, N. Jagadeesh; Nangia, Ashwini","Crystal Structures ofN-Aryl-N'-4-Nitrophenyl Ureas: Molecular Conformation and Weak Interactions Direct the Strong Hydrogen Bond Synthon","Crystal Growth & Design","2007","7","12","2675","2690","10.1021/cg070155j","","","0.71073","MoKα","","0.1094","0.0518","","","0.0942","0.1143","","","","","","0.964","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504262","9.851","0.003","56.994","0.018","9.211","0.003","90","","90","","90","","5171","3","298","2","566","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C224 H208 N48 O48 -","16","1","","Reddy, L. Sreenivas; Chandran, Sreekanth K.; George, Sumod; Babu, N. Jagadeesh; Nangia, Ashwini","Crystal Structures ofN-Aryl-N'-4-Nitrophenyl Ureas: Molecular Conformation and Weak Interactions Direct the Strong Hydrogen Bond Synthon","Crystal Growth & Design","2007","7","12","2675","2690","10.1021/cg070155j","","","0.71073","MoKα","","0.0413","0.0404","","","0.1088","0.1096","","","","","","1.117","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504263","8.307","0.002","8.894","0.002","9.179","0.002","110.23","0.004","103.873","0.005","97.109","0.005","601.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H20 N4 O10 -","- C28 H20 N4 O10 -","- C28 H20 N4 O10 -","1","0.5","","Cheney, Miranda L.; McManus, Gregory J.; Perman, Jason A.; Wang, Zhenqiang; Zaworotko, Michael J.","The Role of Cocrystals in Solid-State Synthesis: Cocrystal-Controlled Solid-State Synthesis of Imides","Crystal Growth & Design","2007","7","4","616","","10.1021/cg0701729","","","0.71073","MoKα","","0.1396","0.0788","","","0.2227","0.3243","","","","","","1.042","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504264","11.405","0.002","12.457","0.002","15.885","0.003","90.911","0.003","100.914","0.003","115.482","0.002","1988.3","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H20.66667 N4.66667 O8.66667 -","- C30 H20.6667 N4.66667 O8.66667 -","- C90 H62 N14 O26 -","3","1.5","","Cheney, Miranda L.; McManus, Gregory J.; Perman, Jason A.; Wang, Zhenqiang; Zaworotko, Michael J.","The Role of Cocrystals in Solid-State Synthesis: Cocrystal-Controlled Solid-State Synthesis of Imides","Crystal Growth & Design","2007","7","4","616","","10.1021/cg0701729","","","0.71073","MoKα","","0.2532","0.106","","","0.2653","0.369","","","","","","0.833","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504265","7.006","0.002","9.99","0.003","10.19","0.004","83.081","0.007","81.603","0.007","76.866","0.008","684.3","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H26 N2 O12 -","- C32 H26 N2 O12 -","- C32 H26 N2 O12 -","1","0.5","","Cheney, Miranda L.; McManus, Gregory J.; Perman, Jason A.; Wang, Zhenqiang; Zaworotko, Michael J.","The Role of Cocrystals in Solid-State Synthesis: Cocrystal-Controlled Solid-State Synthesis of Imides","Crystal Growth & Design","2007","7","4","616","","10.1021/cg0701729","","","0.71073","MoKα","","0.0959","0.0677","","","0.1546","0.1744","","","","","","1.047","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504266","7.1569","0.0014","8.1962","0.0017","15.448","0.003","98.287","0.004","102.202","0.004","96.564","0.004","866.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H24 N5 O8 -","- C42 H24 N5 O8 -","- C42 H24 N5 O8 -","1","0.5","","Cheney, Miranda L.; McManus, Gregory J.; Perman, Jason A.; Wang, Zhenqiang; Zaworotko, Michael J.","The Role of Cocrystals in Solid-State Synthesis: Cocrystal-Controlled Solid-State Synthesis of Imides","Crystal Growth & Design","2007","7","4","616","","10.1021/cg0701729","","","0.71073","MoKα","","0.1282","0.0869","","","0.2019","0.2323","","","","","","1.018","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504267","11.309","0.003","12.204","0.004","16.403","0.005","89.651","0.006","77.343","0.005","64.623","0.006","1985.8","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29.33333 H20 N4 O8.66667 S0.66667 -","- C29.3333 H20 N4 O8.66667 S0.666667 -","- C88 H60 N12 O26 S2 -","3","1.5","","Cheney, Miranda L.; McManus, Gregory J.; Perman, Jason A.; Wang, Zhenqiang; Zaworotko, Michael J.","The Role of Cocrystals in Solid-State Synthesis: Cocrystal-Controlled Solid-State Synthesis of Imides","Crystal Growth & Design","2007","7","4","616","","10.1021/cg0701729","","","0.71073","MoKα","","0.2714","0.0915","","","0.2108","0.2723","","","","","","0.741","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504268","7.5532","0.0006","7.642","0.0006","8.4674","0.0007","71.386","0.001","73.065","0.001","74.956","0.001","435.56","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H5 Cd N2 O2 -","- C8 H5 Cd N2 O5 -","- C16 H10 Cd2 N4 O10 -","2","1","","Wang, Chih-Chieh; Kuo, Chen-Tsung; Yang, Jing-Chun; Lee, Gene-Hsiang; Shih, Wei-Ju; Sheu, Hwo-Shuenn","Assemblies of Two New Metal−Organic Frameworks Constructed from Cd(II) with 2,2‘-Bipyrimidine and Cyclic Oxocarbon Dianions CnOn2-(n= 4, 5)","Crystal Growth & Design","2007","7","8","1476","","10.1021/cg070189r","","","0.71073","MoKα","","0.0195","0.0188","","","0.0468","0.0473","","","","","","1.01","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504269","11.3146","0.0006","7.6357","0.0004","11.8779","0.0006","90","","107.616","0.001","90","","978.07","0.09","295","2","295","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C9 H5 Cd N2 O6 -","- C9 H5 Cd N2 O6 -","- C36 H20 Cd4 N8 O24 -","4","0.5","","Wang, Chih-Chieh; Kuo, Chen-Tsung; Yang, Jing-Chun; Lee, Gene-Hsiang; Shih, Wei-Ju; Sheu, Hwo-Shuenn","Assemblies of Two New Metal−Organic Frameworks Constructed from Cd(II) with 2,2‘-Bipyrimidine and Cyclic Oxocarbon Dianions CnOn2-(n= 4, 5)","Crystal Growth & Design","2007","7","8","1476","","10.1021/cg070189r","","","0.71073","MoKα","","0.0257","0.0231","","","0.0544","0.0557","","","","","","1.026","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504270","10.494","0.0011","10.726","0.0012","13.95","0.0015","82.294","0.002","69.289","0.002","72.665","0.003","1401.3","0.3","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H58 Br2 N18 O3 Zn2 -","- C54 H58 Br2 N18 O3 Zn2 -","- C54 H58 Br2 N18 O3 Zn2 -","1","1","","Ye, Qiong; Song, Yu-Mei; Fu, Da-Wei; Wang, Guo-Xi; Xiong, Ren-Gen; Chan, Philip Wai Hong; Huang, Songping D.","Deuteration Effect of Ferroelectricity and Permittivity on Homochiral Zinc Coordination Compound","Crystal Growth & Design","2007","7","9","1568","","10.1021/cg070190q","","","0.71073","MoKα","","0.0766","0.0648","","","0.1395","0.1424","","","","","","1.071","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504271","10.5121","0.0009","10.7994","0.0009","13.9968","0.0012","82.225","0.002","69.143","0.001","72.457","0.001","1415.1","0.2","293","2","293","2","","","","","","","","7","P 1","P 1","1","","","","- C54 H56 Br2 D2 N18 O3 Zn2 -","- C54 H56 Br2 D2 N18 O3 Zn2 -","- C54 H56 Br2 D2 N18 O3 Zn2 -","1","1","","Ye, Qiong; Song, Yu-Mei; Fu, Da-Wei; Wang, Guo-Xi; Xiong, Ren-Gen; Chan, Philip Wai Hong; Huang, Songping D.","Deuteration Effect of Ferroelectricity and Permittivity on Homochiral Zinc Coordination Compound","Crystal Growth & Design","2007","7","9","1568","1570","10.1021/cg070190q","","","0.71073","MoKα","","0.0748","0.0568","","","0.1142","0.1176","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504272","15.4071","0.0012","20.45","0.002","9.9044","0.001","90","","90","","90","","3120.6","0.5","293","2","293","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C40 H22 Mn N8 O4 -","- C40 H22 Mn N8 O4 -","- C160 H88 Mn4 N32 O16 -","4","","","Wei, Yongqin; Yu, Yunfang; Wu, Kechen","Highly Stable Diamondoid Network Coordination Polymer [Mn(NCP)2]nwith Notable NLO, Magnetic, and Luminescence Properties","Crystal Growth & Design","2007","7","11","2262","","10.1021/cg070192a","","","0.71073","MoKα","","0.0598","0.0467","","","0.1106","0.1189","","","","","","0.975","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504273","30.154","0.005","5.396","0.001","22.978","0.004","90","","106.76","0.01","90","","3580","1.1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","4,4'-bipyridyl-Bis[Di-(4-nitrophenyl)phosphato] Zinc(II) complex","","- C34 H24 N6 O16 P2 Zn -","- C34 H16 N6 O16 P2 Zn -","- C136 H64 N24 O64 P8 Zn4 -","4","0.5","","Marivel, Samipillai; Shimpi, Manishkumar R.; Pedireddi, Venkateswara Rao","Novel Supramolecular Assemblies of Coordination Polymers of Zn(II) and Bis(4-nitrophenyl)phosphoric Acid with Some Aza-Donor Compounds","Crystal Growth & Design","2007","7","9","1791","","10.1021/cg070194v","","","0.71073","MoKα","","0.0507","0.0368","","","0.0943","0.1083","","","","","","0.957","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504274","25.78","0.004","13.529","0.002","10.874","0.002","90","","90","","90","","3792.6","1.1","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","1,2-Bis(4-pyridyl)ethane - bis-di(4-nitrophenyl) phosphonato zinc complex","","- C36 H28 N6 O16 P2 Zn -","- C36 H24 N6 O16 P2 Zn -","- C144 H96 N24 O64 P8 Zn4 -","4","0.5","","Marivel, Samipillai; Shimpi, Manishkumar R.; Pedireddi, Venkateswara Rao","Novel Supramolecular Assemblies of Coordination Polymers of Zn(II) and Bis(4-nitrophenyl)phosphoric Acid with Some Aza-Donor Compounds","Crystal Growth & Design","2007","7","9","1791","","10.1021/cg070194v","","","0.71073","MoKα","","0.0537","0.0421","","","0.1245","0.1346","","","","","","1.08","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504275","25.742","0.006","13.556","0.003","10.828","0.002","90","","90","","90","","3778.5","1.4","298","2","298","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","1,2-Bis(4-pyridyl)ethene - bis-di(4-nitrophenyl) phosphato zinc complex","","- C36 H26 N6 O16 P2 Zn -","- C36 H24 N6 O16 P2 Zn -","- C144 H96 N24 O64 P8 Zn4 -","4","0.5","","Marivel, Samipillai; Shimpi, Manishkumar R.; Pedireddi, Venkateswara Rao","Novel Supramolecular Assemblies of Coordination Polymers of Zn(II) and Bis(4-nitrophenyl)phosphoric Acid with Some Aza-Donor Compounds","Crystal Growth & Design","2007","7","9","1791","","10.1021/cg070194v","","","0.71073","MoKα","","0.0491","0.0379","","","0.1165","0.1282","","","","","","0.82","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504276","10.727","0.003","16.014","0.004","23.426","0.006","98.86","0.01","92.6","0.01","94.44","0.01","3957.5","1.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","4,4'-Trimethylenedipyridine-Bis[Di-(4-nitrophenyl)phosphato] Zinc(II) complex","","- C74 H60 N12 O32 P4 Zn2 -","- C74 H60 N12 O32 P4 Zn2 -","- C148 H120 N24 O64 P8 Zn4 -","2","1","","Marivel, Samipillai; Shimpi, Manishkumar R.; Pedireddi, Venkateswara Rao","Novel Supramolecular Assemblies of Coordination Polymers of Zn(II) and Bis(4-nitrophenyl)phosphoric Acid with Some Aza-Donor Compounds","Crystal Growth & Design","2007","7","9","1791","","10.1021/cg070194v","","","0.71073","MoKα","","0.0947","0.0472","","","0.0973","0.1339","","","","","","0.916","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504277","9.2466","0.0016","10.2483","0.0018","10.6261","0.0019","108.031","0.003","94.958","0.003","106.695","0.002","900","0.3","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 N4 O18 S2 Zn2 -","- C28 H36 N4 O18 S2 Zn2 -","- C28 H36 N4 O18 S2 Zn2 -","1","0.5","","Wu, La-Mei; Teng, Han-Bing; Feng, Xi-Chun; Ke, Xian-Bing; Zhu, Qi-Feng; Su, Jiang-Tao; Xu, Wen-Jin; Hu, Xian-Ming","Supramolecular Networks in Crystals of Metal(II) Complexes with Water-Soluble Salicylaldehyde-2-sulfobenzoylhydrazone Anion Ligand","Crystal Growth & Design","2007","7","7","1337","","10.1021/cg070196f","","","0.71073","MoKα","","0.0243","0.0226","","","0.0611","0.062","","","","","","1.045","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504278","9.2399","0.0007","10.2621","0.0007","10.5794","0.0008","108.032","0.001","95.29","0.001","105.993","0.001","899.51","0.11","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 Co2 N4 O18 S2 -","- C28 H36 Co2 N4 O18 S2 -","- C28 H36 Co2 N4 O18 S2 -","1","0.5","","Wu, La-Mei; Teng, Han-Bing; Feng, Xi-Chun; Ke, Xian-Bing; Zhu, Qi-Feng; Su, Jiang-Tao; Xu, Wen-Jin; Hu, Xian-Ming","Supramolecular Networks in Crystals of Metal(II) Complexes with Water-Soluble Salicylaldehyde-2-sulfobenzoylhydrazone Anion Ligand","Crystal Growth & Design","2007","7","7","1337","","10.1021/cg070196f","","","0.71073","MoKα","","0.0255","0.024","","","0.0636","0.0646","","","","","","1.032","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504279","9.1452","0.0011","10.379","0.0012","10.7212","0.0012","107.715","0.002","95.322","0.002","103.939","0.002","925.54","0.19","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 Mn2 N4 O18 S2 -","- C28 H36 Mn2 N4 O18 S2 -","- C28 H36 Mn2 N4 O18 S2 -","1","0.5","","Wu, La-Mei; Teng, Han-Bing; Feng, Xi-Chun; Ke, Xian-Bing; Zhu, Qi-Feng; Su, Jiang-Tao; Xu, Wen-Jin; Hu, Xian-Ming","Supramolecular Networks in Crystals of Metal(II) Complexes with Water-Soluble Salicylaldehyde-2-sulfobenzoylhydrazone Anion Ligand","Crystal Growth & Design","2007","7","7","1337","","10.1021/cg070196f","","","0.71073","MoKα","","0.073","0.0448","","","0.1002","0.1371","","","","","","0.959","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504280","7.4869","0.0007","9.9503","0.0009","12.2777","0.0011","70.241","0.001","76.782","0.001","79.467","0.001","832.42","0.13","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H32 N4 Ni2 O16 S2 -","- C28 H32 N4 Ni2 O16 S2 -","- C28 H32 N4 Ni2 O16 S2 -","1","0.5","","Wu, La-Mei; Teng, Han-Bing; Feng, Xi-Chun; Ke, Xian-Bing; Zhu, Qi-Feng; Su, Jiang-Tao; Xu, Wen-Jin; Hu, Xian-Ming","Supramolecular Networks in Crystals of Metal(II) Complexes with Water-Soluble Salicylaldehyde-2-sulfobenzoylhydrazone Anion Ligand","Crystal Growth & Design","2007","7","7","1337","","10.1021/cg070196f","","","0.71073","MoKα","","0.0271","0.0239","","","0.059","0.061","","","","","","1.067","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504281","7.6787","0.0009","11.1756","0.0013","12.6173","0.0015","77.358","0.002","76.905","0.002","84.316","0.003","1027.6","0.2","292","2","292","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H48 Cu2 N4 O24 S2 -","- C28 H48 Cu2 N4 O24 S2 -","- C28 H48 Cu2 N4 O24 S2 -","1","0.5","","Wu, La-Mei; Teng, Han-Bing; Feng, Xi-Chun; Ke, Xian-Bing; Zhu, Qi-Feng; Su, Jiang-Tao; Xu, Wen-Jin; Hu, Xian-Ming","Supramolecular Networks in Crystals of Metal(II) Complexes with Water-Soluble Salicylaldehyde-2-sulfobenzoylhydrazone Anion Ligand","Crystal Growth & Design","2007","7","7","1337","","10.1021/cg070196f","","","0.71073","MoKα","","0.0386","0.0352","","","0.1041","0.1112","","","","","","1.091","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504282","9.1032","0.0011","10.8342","0.0013","17.829","0.003","103.492","0.002","99.696","0.002","104.718","0.001","1604.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 N17 O1.5 S3 Zn1.5 -","- C22 H15 N17 O1.5 S3 Zn1.5 -","- C44 H30 N34 O3 S6 Zn3 -","2","1","","Liu, Yuan-Yuan; Huang, Yong-Quan; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Syntheses, Structures, and Characterization of a Series of Novel Zinc(II) and Cadmium(II) Compounds Based on 2,6-Di-(1,2,4-triazole-4-yl)pyridine","Crystal Growth & Design","2007","7","8","1483","","10.1021/cg070208x","","","0.71073","MoKα","","0.0433","0.0376","","","0.1277","0.1325","","","","","","1.082","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504283","7.954","0.003","8.984","0.004","9.863","0.004","71.192","0.004","86.803","0.004","64.858","0.004","601.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cd N16 S2 -","- C20 H14 Cd N16 S2 -","- C20 H14 Cd N16 S2 -","1","0.5","","Liu, Yuan-Yuan; Huang, Yong-Quan; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Syntheses, Structures, and Characterization of a Series of Novel Zinc(II) and Cadmium(II) Compounds Based on 2,6-Di-(1,2,4-triazole-4-yl)pyridine","Crystal Growth & Design","2007","7","8","1483","","10.1021/cg070208x","","","0.71073","MoKα","","0.0243","0.0225","","","0.0578","0.0587","","","","","","1.051","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504284","7.0837","0.0014","9.878","0.002","12.549","0.003","94.59","0.03","103.44","0.03","102.43","0.03","826.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H13 Cd N7 O7 -","- C11 H9 Cd N7 O7 -","- C22 H18 Cd2 N14 O14 -","2","1","","Liu, Yuan-Yuan; Huang, Yong-Quan; Shi, Wei; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Syntheses, Structures, and Characterization of a Series of Novel Zinc(II) and Cadmium(II) Compounds Based on 2,6-Di-(1,2,4-triazole-4-yl)pyridine","Crystal Growth & Design","2007","7","8","1483","","10.1021/cg070208x","","","0.71073","MoKα","","0.0445","0.0373","","","0.0938","0.0956","","","","","","1.047","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504285","8.3824","0.0003","8.3824","0.0003","8.3824","0.0003","96.86","","96.86","","96.86","","575.22","0.04","153","2","153","2","","","","","","","","3","R 3 c :R","P 3* -2n","161","","","","- B2 Ba O4 -","- B2 Ba O4 -","- B12 Ba6 O24 -","6","1","","Pan, Shilie; Smit, Jared P.; Lanier, Courtney H.; Marvel, Michael R.; Marks, Laurence D.; Poeppelmeier, Kenneth R.","Optical Floating Zone Growth of β-BaB2O4from a LiBa2B5O10-Based Solvent","Crystal Growth & Design","2007","7","8","1561","","10.1021/cg0702232","","","0.71073","MoKα","","0.0214","0.0209","","","0.0517","0.0518","","","","","","1.025","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504286","6.091","0.0006","11.4576","0.0012","10.686","0.0011","90","","105.626","0.002","90","","718.19","0.13","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N12 O2 Zn -","- C10 H10 N12 O2 Zn -","- C20 H20 N24 O4 Zn2 -","2","0.5","","Li, Zhen; Li, Mian; Zhou, Xiao-Ping; Wu, Tao; Li, Dan; Ng, Seik Weng","Metal-Directed Supramolecular Architectures: From Mononuclear to 3D Frameworks Based on In Situ Tetrazole Ligand Synthesis","Crystal Growth & Design","2007","7","10","1992","","10.1021/cg0702333","","","0.71073","MoKα","","0.0364","0.0311","","","0.0774","0.0802","","","","","","1.051","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504287","13.0083","0.001","7.316","0.0006","16.8582","0.0013","90","","101.922","0.001","90","","1569.8","0.2","295","2","295","2","","","","","","","","5","C 1 2/n 1","-C 2yac","15","","","","- C10 H12 Cu N12 O3 -","- C10 H12 Cu N12 O3 -","- C40 H48 Cu4 N48 O12 -","4","0.5","","Li, Zhen; Li, Mian; Zhou, Xiao-Ping; Wu, Tao; Li, Dan; Ng, Seik Weng","Metal-Directed Supramolecular Architectures: From Mononuclear to 3D Frameworks Based on In Situ Tetrazole Ligand Synthesis","Crystal Growth & Design","2007","7","10","1992","","10.1021/cg0702333","","","0.71073","MoKα","","0.045","0.0414","","","0.1113","0.1135","","","","","","1.129","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504288","8.7615","0.0006","18.5982","0.0013","9.0395","0.0006","90","","105.503","0.001","90","","1419.38","0.17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H6 Cd N12 -","- C10 H6 Cd N12 -","- C40 H24 Cd4 N48 -","4","2","","Li, Zhen; Li, Mian; Zhou, Xiao-Ping; Wu, Tao; Li, Dan; Ng, Seik Weng","Metal-Directed Supramolecular Architectures: From Mononuclear to 3D Frameworks Based on In Situ Tetrazole Ligand Synthesis","Crystal Growth & Design","2007","7","10","1992","","10.1021/cg0702333","","","0.71073","MoKα","","0.0301","0.0291","","","0.0769","0.0775","","","","","","1.058","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504289","3.5465","0.0006","12.373","0.002","14.679","0.003","90","","92.638","0.003","90","","643.4","0.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H3 Ag N6 -","- C5 H3 Ag N6 -","- C20 H12 Ag4 N24 -","4","1","","Li, Zhen; Li, Mian; Zhou, Xiao-Ping; Wu, Tao; Li, Dan; Ng, Seik Weng","Metal-Directed Supramolecular Architectures: From Mononuclear to 3D Frameworks Based on In Situ Tetrazole Ligand Synthesis","Crystal Growth & Design","2007","7","10","1992","","10.1021/cg0702333","","","0.71073","MoKα","","0.0338","0.0292","","","0.0634","0.0652","","","","","","1.083","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504290","20.1345","0.0005","10.5451","0.0003","13.3534","0.0003","90","","131.39","","90","","2127.04","0.09","293","2","293","2","","","","","","","","6","C 1 2/n 1","-C 2yac","15","","","","- C5 H4 Cd2 N6 O5 S -","- C5 H4 Cd2 N6 O5 S -","- C40 H32 Cd16 N48 O40 S8 -","8","1","","Li, Zhen; Li, Mian; Zhou, Xiao-Ping; Wu, Tao; Li, Dan; Ng, Seik Weng","Metal-Directed Supramolecular Architectures: From Mononuclear to 3D Frameworks Based on In Situ Tetrazole Ligand Synthesis","Crystal Growth & Design","2007","7","10","1992","","10.1021/cg0702333","","","0.71073","MoKα","","0.0242","0.0233","","","0.0588","0.0597","","","","","","1.082","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504291","13.244","0.0007","5.9984","0.0003","9.0482","0.0002","90","","90","","90","","718.81","0.05","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Carboxylic Acid-4-Nitropyridine-1-Oxide","","- C6 H4 N2 O5 -","- C6 H4 N2 O5 -","- C24 H16 N8 O20 -","4","1","","Wu, Wenshi; Wu, Dongsheng; Cheng, Wendan; Zhang, Hao; Dai, Jincao","Syntheses, Crystal Growths, and Nonlinear Optical Properties for 2-Carboxylic acid-4-nitropyridine-1-oxide Crystals with Two Different Arrangements of Chromophores","Crystal Growth & Design","2007","7","11","2316","","10.1021/cg0702378","","","0.71073","MoKα","","0.0327","0.0301","","","0.0827","0.0864","","","","","","1.02","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504292","5.5509","0.0003","9.8139","0.0007","13.2554","0.0003","90","","90","","90","","722.1","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-Carboxylic Acid-4-Nitropyridine-1-Oxide","","- C6 H4 N2 O5 -","- C6 H4 N2 O5 -","- C24 H16 N8 O20 -","4","1","","Wu, Wenshi; Wu, Dongsheng; Cheng, Wendan; Zhang, Hao; Dai, Jincao","Syntheses, Crystal Growths, and Nonlinear Optical Properties for 2-Carboxylic acid-4-nitropyridine-1-oxide Crystals with Two Different Arrangements of Chromophores","Crystal Growth & Design","2007","7","11","2316","","10.1021/cg0702378","","","0.71073","MoKα","","0.0565","0.0482","","","0.1131","0.1216","","","","","","0.948","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504293","10.358","0.005","16.092","0.007","9.243","0.004","90","","92.219","0.008","90","","1539.5","1.2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N5 O2 -","- C15 H17 N5 O2 -","- C60 H68 N20 O8 -","4","1","","Wang, Cui-Juan; Ma, Hai-Rui; Wang, Yao-Yu; Liu, Ping; Zhou, Li-Jun; Shi, Qi-Zhen; Peng, Shie-Ming","Subtle Structural Changes in Coordination Chains: Influence of the Flexibility of the Precursor Ligands and of the Solvent","Crystal Growth & Design","2007","7","9","1811","","10.1021/cg070246g","","","0.71073","MoKα","","0.0681","0.0397","","","0.1001","0.11","","","","","","1.058","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504294","8.4716","0.001","8.7904","0.0014","15.2105","0.0018","88.106","0.01","87.745","0.009","82.924","0.009","1122.8","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 Cu N6 O4 -","- C21 H22 Cu N6 O4 -","- C42 H44 Cu2 N12 O8 -","2","1","","Wang, Cui-Juan; Ma, Hai-Rui; Wang, Yao-Yu; Liu, Ping; Zhou, Li-Jun; Shi, Qi-Zhen; Peng, Shie-Ming","Subtle Structural Changes in Coordination Chains: Influence of the Flexibility of the Precursor Ligands and of the Solvent","Crystal Growth & Design","2007","7","9","1811","","10.1021/cg070246g","","","0.71073","MoKα","","0.1253","0.0525","","","0.1031","0.1262","","","","","","0.873","","","","has coordinates","179577","2020-10-21","18:00:00",""
"4504295","8.5396","0.0003","16.4589","0.0006","16.1176","0.0005","90","","97.415","0.002","90","","2246.42","0.13","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19.25 H19.5 Cl0.5 Cu N5 O4 -","- C20 H19.5 Cl2 Cu N5 O4 -","- C80 H78 Cl8 Cu4 N20 O16 -","4","1","","Wang, Cui-Juan; Ma, Hai-Rui; Wang, Yao-Yu; Liu, Ping; Zhou, Li-Jun; Shi, Qi-Zhen; Peng, Shie-Ming","Subtle Structural Changes in Coordination Chains: Influence of the Flexibility of the Precursor Ligands and of the Solvent","Crystal Growth & Design","2007","7","9","1811","","10.1021/cg070246g","","","0.71073","MoKα","","0.0862","0.0633","","","0.1965","0.2083","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504296","17.814","0.006","8.72","0.003","18.811","0.006","90","","100.237","0.006","90","","2875.5","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Cl3 Cu N5 O4 -","- C21 H21 Cl6 Cu N5 O4 -","- C84 H84 Cl24 Cu4 N20 O16 -","4","0.5","","Wang, Cui-Juan; Ma, Hai-Rui; Wang, Yao-Yu; Liu, Ping; Zhou, Li-Jun; Shi, Qi-Zhen; Peng, Shie-Ming","Subtle Structural Changes in Coordination Chains: Influence of the Flexibility of the Precursor Ligands and of the Solvent","Crystal Growth & Design","2007","7","9","1811","","10.1021/cg070246g","","","0.71073","MoKα","","0.1276","0.0844","","","0.2387","0.2749","","","","","","1.023","","","","has coordinates,has disorder","179577","2020-10-21","18:00:00",""
"4504297","8.4903","0.0019","16.417","0.004","16.134","0.004","90","","97.919","0.003","90","","2227.4","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19.5 H21 Cu N5 O4.5 -","- C19.5 H21 Cu N5 O4.5 -","- C78 H84 Cu4 N20 O18 -","4","1","","Wang, Cui-Juan; Ma, Hai-Rui; Wang, Yao-Yu; Liu, Ping; Zhou, Li-Jun; Shi, Qi-Zhen; Peng, Shie-Ming","Subtle Structural Changes in Coordination Chains: Influence of the Flexibility of the Precursor Ligands and of the Solvent","Crystal Growth & Design","2007","7","9","1811","","10.1021/cg070246g","","","0.71073","MoKα","","0.077","0.052","","","0.1466","0.1629","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504298","20.212","0.007","8.517","0.003","18.456","0.009","90","","121.319","0.005","90","","2714.2","1.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H33 Cu N5 O6 -","- C25 H31 Cu N5 O6 -","- C100 H124 Cu4 N20 O24 -","4","0.5","","Wang, Cui-Juan; Ma, Hai-Rui; Wang, Yao-Yu; Liu, Ping; Zhou, Li-Jun; Shi, Qi-Zhen; Peng, Shie-Ming","Subtle Structural Changes in Coordination Chains: Influence of the Flexibility of the Precursor Ligands and of the Solvent","Crystal Growth & Design","2007","7","9","1811","","10.1021/cg070246g","","","0.71073","MoKα","","0.0784","0.0483","","","0.1299","0.1414","","","","","","0.977","","","","has coordinates,has disorder","179577","2020-10-21","18:00:00",""
"4504299","8.988","0.003","10.602","0.003","13.55","0.004","69.213","0.004","84.875","0.005","67.454","0.004","1113.2","0.6","293","2","293","2","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C22 H25 Cu N3 O3 S -","- C22 H25 Cu N3 O3 S -","- C44 H50 Cu2 N6 O6 S2 -","2","1","","Alam, Md. Akhtarul; Koner, Rik Rani; Das, Amrita; Nethaji, Munirathinum; Ray, Manabendra","Rationalizing the Effects of Amino Acid Side Chain, Pyridine, and Imidazole on the Assembly and Reversible Disassembly of a Octanuclear Cu(II) Complex","Crystal Growth & Design","2007","7","9","1818","","10.1021/cg070250s","","","0.71073","MoKα","","0.1137","0.0733","","","0.1498","0.1603","","","","","","1.466","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504300","13.337","0.008","8.622","0.005","23.425","0.016","90","","106.032","0.009","90","","2589","3","298","2","298","2","","","","","","","Synthesized","6","P 1 21 1","P 2yb","4","Cu2(L-Salmet)2","","","- C48 H55 Cu4 N4 O12 S4 -","- C48 H55 Cu4 N4 O12 S4 -","- C96 H110 Cu8 N8 O24 S8 -","2","1","","Alam, Md. Akhtarul; Koner, Rik Rani; Das, Amrita; Nethaji, Munirathinum; Ray, Manabendra","Rationalizing the Effects of Amino Acid Side Chain, Pyridine, and Imidazole on the Assembly and Reversible Disassembly of a Octanuclear Cu(II) Complex","Crystal Growth & Design","2007","7","9","1818","","10.1021/cg070250s","","x-ray","0.71073","MoKα","","0.0586","0.055","","","0.1625","0.1664","","","","","","1.174","","","","has coordinates,has disorder","179578","2020-10-21","18:00:00",""
"4504301","6.9706","0.0007","21.827","0.002","11.0363","0.0012","90","","100.638","0.007","90","","1650.3","0.3","298","2","298","2","","","","","","","Synthesis","6","P 1 21 1","P 2yb","4","Cusalmetim","","","- C15 H19 Cu N3 O3 S -","- C15 H19 Cu N3 O3 S -","- C60 H76 Cu4 N12 O12 S4 -","4","2","","Alam, Md. Akhtarul; Koner, Rik Rani; Das, Amrita; Nethaji, Munirathinum; Ray, Manabendra","Rationalizing the Effects of Amino Acid Side Chain, Pyridine, and Imidazole on the Assembly and Reversible Disassembly of a Octanuclear Cu(II) Complex","Crystal Growth & Design","2007","7","9","1818","","10.1021/cg070250s","","","0.71073","MoKα","","0.0806","0.0509","","","0.1064","0.1149","","","","","","1.248","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504302","9.2596","0.0004","9.7379","0.0004","26.6724","0.0014","90","","90","","90","","2405.03","0.19","298","2","298","2","","","","","","","Synthesis","5","P 21 21 21","P 2ac 2ab","19","SaltyrCu","","","- C26 H25 Cu N3 O4 -","- C26 H25 Cu N3 O4 -","- C104 H100 Cu4 N12 O16 -","4","1","","Alam, Md. Akhtarul; Koner, Rik Rani; Das, Amrita; Nethaji, Munirathinum; Ray, Manabendra","Rationalizing the Effects of Amino Acid Side Chain, Pyridine, and Imidazole on the Assembly and Reversible Disassembly of a Octanuclear Cu(II) Complex","Crystal Growth & Design","2007","7","9","1818","","10.1021/cg070250s","","","0.71073","MoKα","","0.0456","0.0314","","","0.0497","0.0513","","","","","","1.184","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504303","19.625","0.012","9.617","0.006","41.56","0.03","90","","92.26","0.011","90","","7838","9","293","2","293","2","","","","","","","Synthesized","5","P 1 21 1","P 2yb","4","Cu(Salhis)imidazole H2O","","","- C128 H136 Cu8 N40 O36 -","- C128 H136 Cu8 N40 O36 -","- C256 H272 Cu16 N80 O72 -","2","1","","Alam, Md. Akhtarul; Koner, Rik Rani; Das, Amrita; Nethaji, Munirathinum; Ray, Manabendra","Rationalizing the Effects of Amino Acid Side Chain, Pyridine, and Imidazole on the Assembly and Reversible Disassembly of a Octanuclear Cu(II) Complex","Crystal Growth & Design","2007","7","9","1818","","10.1021/cg070250s","","x-ray","0.71073","MoKα","","0.208","0.1044","","","0.2324","0.2932","","","","","","0.955","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504304","6.6687","0.0013","8.0335","0.0016","11.706","0.002","80.01","0.03","83.27","0.03","83.93","0.03","611","0.2","293","2","293","2","","","","","","","","2","P -1","-P 1","2","Trans-DPDSB","Trans,trans-2,5-Diphenyl-1,4-distyrylbenzene","","- C34 H26 -","- C34 H26 -","- C34 H26 -","1","0.5","","Xie, Zengqi; Wang, Huan; Li, Feng; Xie, Weijie; Liu, Linlin; Yang, Bing; Ye, Ling; Ma, Yuguang","Crystal Structure of a Highly Luminescent Slice Crystal Grown in the Vapor Phase: A New Polymorph of 2,5-Diphenyl-1,4-distyrylbenzene","Crystal Growth & Design","2007","7","12","2512","","10.1021/cg070270u","","","0.71073","MoKα","","0.0794","0.0463","","","0.124","0.1369","","","","","","1.048","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504305","9.584","0.001","12.5631","0.0014","16.8097","0.0018","76.777","0.002","87.428","0.003","68.209","0.002","1827.7","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H60 N12 O17 Zn4 -","- C74 H60 N12 O17 Zn4 -","- C74 H60 N12 O17 Zn4 -","1","0.5","","Tian, Zhengfang; Lin, Jianguo; Su, Yang; Wen, Lili; Liu, Yangmei; Zhu, Huizhen; Meng, Qing-Jin","Flexible Ligand, Structural, and Topological Diversity: Isomerism in Zn(NO3)2Coordination Polymers","Crystal Growth & Design","2007","7","9","1863","","10.1021/cg070274z","","","0.71073","MoKα","","0.0975","0.0633","","","0.1223","0.129","","","","","","1.085","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504306","9.601","0.003","9.69","0.003","11.815","0.003","108.367","0.005","103.743","0.005","91.988","0.005","1006.2","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 N4 O4 Zn -","- C22 H18 N4 O4 Zn -","- C44 H36 N8 O8 Zn2 -","2","1","","Tian, Zhengfang; Lin, Jianguo; Su, Yang; Wen, Lili; Liu, Yangmei; Zhu, Huizhen; Meng, Qing-Jin","Flexible Ligand, Structural, and Topological Diversity: Isomerism in Zn(NO3)2Coordination Polymers","Crystal Growth & Design","2007","7","9","1863","","10.1021/cg070274z","","","0.71073","MoKα","","0.059","0.0478","","","0.1005","0.1036","","","","","","1.003","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504307","11.6702","0.0006","13.916","0.0007","16.0247","0.0008","69.041","0.001","69.716","0.001","84.264","0.001","2278.7","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C84 H88 Cd4 Cl2 N12 O28 P2 S2 -","- C84 H56 Cd4 Cl2 N12 O28 P2 S2 -","- C84 H56 Cd4 Cl2 N12 O28 P2 S2 -","1","0.5","","Du, Zi-Yi; Li, Xiu-Ling; Liu, Qing-Yan; Mao, Jiang-Gao","Novel Cadmium(II) Phosphonatophenylsulfonate Cluster Compounds: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2007","7","8","1501","","10.1021/cg070280v","","","0.71073","MoKα","","0.0454","0.0383","","","0.0861","0.0915","","","","","","1.038","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504308","17.152","0.004","21.12","0.005","21.207","0.005","84.59","0.009","76.168","0.009","67.475","0.006","6890","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C120 H108 Cd6 N16 O38 P4 S4 -","- C120 H80 Cd6 N16 O38 P4 S4 -","- C240 H160 Cd12 N32 O76 P8 S8 -","2","1","","Du, Zi-Yi; Li, Xiu-Ling; Liu, Qing-Yan; Mao, Jiang-Gao","Novel Cadmium(II) Phosphonatophenylsulfonate Cluster Compounds: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2007","7","8","1501","","10.1021/cg070280v","","","0.71073","MoKα","","0.1297","0.081","","","0.1828","0.2181","","","","","","1.108","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504309","20.4331","0.0001","11.7979","0.0002","23.9485","0.0003","90","","112.723","0.001","90","","5325.11","0.12","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H52 Cd3 N6 O22 P2 S2 -","- C42 H32 Cd3 N6 O22 P2 S2 -","- C168 H128 Cd12 N24 O88 P8 S8 -","4","0.5","","Du, Zi-Yi; Li, Xiu-Ling; Liu, Qing-Yan; Mao, Jiang-Gao","Novel Cadmium(II) Phosphonatophenylsulfonate Cluster Compounds: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2007","7","8","1501","","10.1021/cg070280v","","","0.71073","MoKα","","0.0494","0.0409","","","0.0925","0.0966","","","","","","1.139","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504310","42.521","0.009","14.948","0.003","6.7923","0.0014","90","","97.825","0.004","90","","4277","1.5","100","1","100","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 N4 O2 -","- C8 H10 N4 O2 -","- C160 H200 N80 O40 -","20","2.5","","Enright, Gary D.; Terskikh, Victor V.; Brouwer, Darren H.; Ripmeester, John A.","The Structure of Two Anhydrous Polymorphs of Caffeine from Single-Crystal Diffraction and Ultrahigh-Field Solid-State13C NMR Spectroscopy","Crystal Growth & Design","2007","7","8","1406","","10.1021/cg070291o","","","0.71073","MoKα","","0.1355","0.0584","","","0.1234","0.1598","","","","","","1","","","","has coordinates,has disorder","301842","2025-08-21","00:37:14",""
"4504311","14.831","0.003","14.831","0.003","6.7648","0.0019","90","","90","","120","","1288.6","0.5","125","2","125","1","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C15 H10 N5 O2 -","- C16.32 H20.4 N8.16 O4.08 -","- C48.96 H61.2 N24.48 O12.24 -","3","0.0833333","","Enright, Gary D.; Terskikh, Victor V.; Brouwer, Darren H.; Ripmeester, John A.","The Structure of Two Anhydrous Polymorphs of Caffeine from Single-Crystal Diffraction and Ultrahigh-Field Solid-State13C NMR Spectroscopy","Crystal Growth & Design","2007","7","8","1406","","10.1021/cg070291o","","","0.71073","MoKα","","0.078","0.0569","","","0.1449","0.1795","","","","","","1.194","","","","has coordinates,has disorder","179578","2020-10-21","18:00:00",""
"4504312","9.3888","0.0014","10.1152","0.0014","11.571","0.0017","90","","90","","90","","1098.9","0.3","190","2","190","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H2 Cl N4 Zn -","- C2 H2 Cl N4 Zn -","- C16 H16 Cl8 N32 Zn8 -","8","1","","Park, Hyunsoo; Krigsfeld, Gabriel; Teat, Simon J.; Parise, John B.","Synthesis and Structural Determination of Four Novel Metal−Organic Frameworks in a Zn−3-Amino-1,2,4-Triazole System","Crystal Growth & Design","2007","7","7","1343","","10.1021/cg070295t","","x-ray","0.7749","synchrotron","","0.0316","0.0302","","","0.0855","0.0869","","","","","","1.024","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504313","9.1976","0.0011","10.3412","0.0013","12.5765","0.0015","90","","90","","90","","1196.2","0.3","190","2","190","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C3 H4 N4 O2 Zn -","- C3 H4 N4 O2 Zn -","- C24 H32 N32 O16 Zn8 -","8","1","","Park, Hyunsoo; Krigsfeld, Gabriel; Teat, Simon J.; Parise, John B.","Synthesis and Structural Determination of Four Novel Metal−Organic Frameworks in a Zn−3-Amino-1,2,4-Triazole System","Crystal Growth & Design","2007","7","7","1343","","10.1021/cg070295t","","x-ray","0.7749","synchrotron","","0.0453","0.0349","","","0.1007","0.1102","","","","","","1.026","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504314","15.0448","0.0006","15.0448","0.0006","15.0448","0.0006","90","","90","","90","","3405.3","0.2","190","2","190","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C12 H30 N26 O13.98 Zn5 -","- C12 H30 N26 O13.98 Zn5 -","- C48 H120 N104 O55.92 Zn20 -","4","0.166667","","Park, Hyunsoo; Krigsfeld, Gabriel; Teat, Simon J.; Parise, John B.","Synthesis and Structural Determination of Four Novel Metal−Organic Frameworks in a Zn−3-Amino-1,2,4-Triazole System","Crystal Growth & Design","2007","7","7","1343","","10.1021/cg070295t","","x-ray","0.7749","synchrotron","","0.0491","0.0398","","","0.1015","0.1072","","","","","","1.079","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504315","19.2576","0.0009","19.2576","0.0009","20.2861","0.0019","90","","90","","90","","7523.2","0.9","190","2","190","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C17 H26.02 N28 O8.87 Zn5 -","- C17 H26.02 N28 O8.87 Zn5 -","- C136 H208.16 N224 O70.96 Zn40 -","8","0.5","","Park, Hyunsoo; Krigsfeld, Gabriel; Teat, Simon J.; Parise, John B.","Synthesis and Structural Determination of Four Novel Metal−Organic Frameworks in a Zn−3-Amino-1,2,4-Triazole System","Crystal Growth & Design","2007","7","7","1343","","10.1021/cg070295t","","x-ray","0.7749","synchrotron","","0.0579","0.0492","","","0.1539","0.1627","","","","","","1.07","","","","has coordinates,has disorder","179578","2020-10-21","18:00:00",""
"4504316","21.1088","0.0012","34.334","0.002","20.1564","0.0012","90","","90","","90","","14608.3","1.5","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C30 H33 Cd N11 O12 -","- C30 H33 Cd N11 O12 -","- C480 H528 Cd16 N176 O192 -","16","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Isomerism in Coordination Complexes and Polymers Derived from Bispyridylurea Ligands: Effect of Solvents, Conformational Flexibility, and Positional Isomerism of the Ligands","Crystal Growth & Design","2007","7","10","2096","","10.1021/cg070301l","","","0.71073","MoKα","","0.0321","0.0294","","","0.079","0.0863","","","","","","1.076","","","","has coordinates,has disorder","179578","2020-10-21","18:00:00",""
"4504317","9.6223","0.001","10.2423","0.0011","12.8397","0.0013","90","","95.364","0.002","90","","1259.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Cd N10 O8 -","- C22 H20 Cd N10 O8 -","- C44 H40 Cd2 N20 O16 -","2","0.5","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Isomerism in Coordination Complexes and Polymers Derived from Bispyridylurea Ligands: Effect of Solvents, Conformational Flexibility, and Positional Isomerism of the Ligands","Crystal Growth & Design","2007","7","10","2096","","10.1021/cg070301l","","","0.71073","MoKα","","0.0445","0.0331","","","0.0857","0.1026","","","","","","1.123","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504318","16.212","0.004","18.776","0.005","13.907","0.004","90","","90","","90","","4233","2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C11 H16 Cd N6 O10 -","- C11 H16 Cd N6 O10 -","- C88 H128 Cd8 N48 O80 -","8","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Isomerism in Coordination Complexes and Polymers Derived from Bispyridylurea Ligands: Effect of Solvents, Conformational Flexibility, and Positional Isomerism of the Ligands","Crystal Growth & Design","2007","7","10","2096","","10.1021/cg070301l","","","0.71073","MoKα","","0.1546","0.0748","","","0.1525","0.1784","","","","","","0.984","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504319","7.435","0.002","13.696","0.004","14.03","0.004","102.141","0.004","92.28","0.005","92.164","0.005","1394.1","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H58 Cd N18 O14 -","- C52 H58 Cd N18 O14 -","- C52 H58 Cd N18 O14 -","1","0.5","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Isomerism in Coordination Complexes and Polymers Derived from Bispyridylurea Ligands: Effect of Solvents, Conformational Flexibility, and Positional Isomerism of the Ligands","Crystal Growth & Design","2007","7","10","2096","","10.1021/cg070301l","","","0.71073","MoKα","","0.0545","0.0489","","","0.1195","0.1226","","","","","","1.008","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504320","24.516","0.003","15.3297","0.0019","14.5307","0.0018","90","","120.428","0.002","90","","4708.8","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H44 Cd N18 O12 -","- C44 H44 Cd N18 O12 -","- C176 H176 Cd4 N72 O48 -","4","0.5","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Isomerism in Coordination Complexes and Polymers Derived from Bispyridylurea Ligands: Effect of Solvents, Conformational Flexibility, and Positional Isomerism of the Ligands","Crystal Growth & Design","2007","7","10","2096","","10.1021/cg070301l","","","0.71073","MoKα","","0.0486","0.0351","","","0.0818","0.0877","","","","","","1.017","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504321","6.1823","0.0015","10.254","0.003","10.921","0.003","87.022","0.004","79.039","0.004","77.888","0.004","664.5","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 Cd N10 O10 -","- C22 H24 Cd N10 O10 -","- C22 H24 Cd N10 O10 -","1","0.5","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Isomerism in Coordination Complexes and Polymers Derived from Bispyridylurea Ligands: Effect of Solvents, Conformational Flexibility, and Positional Isomerism of the Ligands","Crystal Growth & Design","2007","7","10","2096","","10.1021/cg070301l","","","0.71073","MoKα","","0.0444","0.0393","","","0.1094","0.1344","","","","","","1.153","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504322","7.5913","0.0005","17.5116","0.0012","16.5963","0.0012","90","","99.378","0.001","90","","2176.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 Cd N6 O11 -","- C15 H18 Cd N6 O11 -","- C60 H72 Cd4 N24 O44 -","4","1","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Isomerism in Coordination Complexes and Polymers Derived from Bispyridylurea Ligands: Effect of Solvents, Conformational Flexibility, and Positional Isomerism of the Ligands","Crystal Growth & Design","2007","7","10","2096","","10.1021/cg070301l","","","0.71073","MoKα","","0.0472","0.0437","","","0.0976","0.0995","","","","","","1.181","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504323","9.8645","0.0008","11.2616","0.0009","14.312","0.0011","69.646","0.001","78.814","0.001","81.987","0.001","1457.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H48 Cd N18 O14 -","- C44 H48 Cd N18 O14 -","- C44 H48 Cd N18 O14 -","1","0.5","","Kumar, D. Krishna; Das, Amitava; Dastidar, Parthasarathi","Isomerism in Coordination Complexes and Polymers Derived from Bispyridylurea Ligands: Effect of Solvents, Conformational Flexibility, and Positional Isomerism of the Ligands","Crystal Growth & Design","2007","7","10","2096","","10.1021/cg070301l","","","0.71073","MoKα","","0.0431","0.041","","","0.114","0.1201","","","","","","1.096","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504324","24.8649","0.0006","24.8649","0.0006","14.9468","0.0007","90","","90","","90","","9241.1","0.5","293","2","293","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C10 H15 N4 O0.5 -","- C10 H15 N4 O0.5 -","- C320 H480 N128 O16 -","32","1","","He, Jun; Zhang, Jing-Xiang; Tan, Gui-Ping; Yin, Ye-Gao; Zhang, Dan; Hu, Mei-Hong","Second Ligand-Directed Assembly of Photoluminescent Zn(II) Coordination Frameworks","Crystal Growth & Design","2007","7","8","1508","","10.1021/cg070320v","","","0.71073","MoKα","","0.0871","0.0709","","","0.1896","0.2083","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504325","16.2045","0.0013","17.6022","0.0014","17.9025","0.0014","90","","90","","90","","5106.4","0.7","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C23 H25 N6 O4 Zn -","- C23 H25 N6 O4 Zn -","- C184 H200 N48 O32 Zn8 -","8","1","","He, Jun; Zhang, Jing-Xiang; Tan, Gui-Ping; Yin, Ye-Gao; Zhang, Dan; Hu, Mei-Hong","Second Ligand-Directed Assembly of Photoluminescent Zn(II) Coordination Frameworks","Crystal Growth & Design","2007","7","8","1508","","10.1021/cg070320v","","","0.71073","MoKα","","0.06","0.043","","","0.1035","0.1131","","","","","","1.044","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504326","8.8594","0.0015","11.698","0.002","14.955","0.003","90","","90","","90","","1549.9","0.5","293","2","293","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C14 H15 N4 O2 Zn -","- C14 H15 N4 O2 Zn -","- C56 H60 N16 O8 Zn4 -","4","1","","He, Jun; Zhang, Jing-Xiang; Tan, Gui-Ping; Yin, Ye-Gao; Zhang, Dan; Hu, Mei-Hong","Second Ligand-Directed Assembly of Photoluminescent Zn(II) Coordination Frameworks","Crystal Growth & Design","2007","7","8","1508","","10.1021/cg070320v","","","0.71073","MoKα","","0.0459","0.0398","","","0.0927","0.1051","","","","","","1.081","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504327","9.5327","0.0006","9.8051","0.0006","18.9863","0.0012","96.074","0.001","100.82","0.001","109.675","0.001","1613.68","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28.33 N4 O15.16 Zn2 -","- C28 H28.34 N4 O15.17 Zn2 -","- C56 H56.68 N8 O30.34 Zn4 -","2","1","","He, Jun; Zhang, Jing-Xiang; Tan, Gui-Ping; Yin, Ye-Gao; Zhang, Dan; Hu, Mei-Hong","Second Ligand-Directed Assembly of Photoluminescent Zn(II) Coordination Frameworks","Crystal Growth & Design","2007","7","8","1508","","10.1021/cg070320v","","","0.71073","MoKα","","0.0575","0.0451","","","0.1078","0.1145","","","","","","1.026","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504328","4.7735","0.001","6.7584","0.0014","12.087","0.003","85.662","0.003","88.264","0.003","82.804","0.003","385.68","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H5 O5 Zn -","- C8 H5 O5 Zn -","- C16 H10 O10 Zn2 -","2","1","","Wang, Ji-Jiang; Gou, Lei; Hu, Huai-Ming; Han, Zhong-Xi; Li, Dong-Sheng; Xue, Gang-Lin; Yang, Meng-Lin; Shi, Qi-Zhen","Ligand and pH-Controlled ZnIIBilayer Coordination Polymers Based on Biphenyl-3,3‘,4,4‘-tetracarboxylate","Crystal Growth & Design","2007","7","8","1514","","10.1021/cg0703240","","","0.71073","MoKα","","0.0432","0.034","","","0.0864","0.0894","","","","","","1.039","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504329","13.3835","0.001","6.9617","0.0005","15.6162","0.0011","90","","110.193","0.001","90","","1365.56","0.17","296","2","296","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C13 H12 N O6.5 Zn -","- C13 H12 N O6.5 Zn -","- C52 H48 N4 O26 Zn4 -","4","1","","Wang, Ji-Jiang; Gou, Lei; Hu, Huai-Ming; Han, Zhong-Xi; Li, Dong-Sheng; Xue, Gang-Lin; Yang, Meng-Lin; Shi, Qi-Zhen","Ligand and pH-Controlled ZnIIBilayer Coordination Polymers Based on Biphenyl-3,3‘,4,4‘-tetracarboxylate","Crystal Growth & Design","2007","7","8","1514","","10.1021/cg0703240","","","0.71073","MoKα","","0.0398","0.0296","","","0.0702","0.0767","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504330","12.0568","0.0019","24.049","0.004","10.6693","0.0017","90","","105.964","0.002","90","","2974.3","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 N8 O17 Zn2 -","- C72 H48 N8 O17 Zn2 -","- C144 H96 N16 O34 Zn4 -","2","0.5","","Wang, Ji-Jiang; Gou, Lei; Hu, Huai-Ming; Han, Zhong-Xi; Li, Dong-Sheng; Xue, Gang-Lin; Yang, Meng-Lin; Shi, Qi-Zhen","Ligand and pH-Controlled ZnIIBilayer Coordination Polymers Based on Biphenyl-3,3‘,4,4‘-tetracarboxylate","Crystal Growth & Design","2007","7","8","1514","","10.1021/cg0703240","","","0.71073","MoKα","","0.0573","0.0383","","","0.0864","0.0963","","","","","","1.043","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504331","9.2671","0.0017","10.8252","0.0019","12.39","0.002","97.306","0.002","106.614","0.002","93.547","0.002","1175.1","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 N2 O8 Zn -","- C28 H20 N2 O8 Zn -","- C56 H40 N4 O16 Zn2 -","2","1","","Wang, Ji-Jiang; Gou, Lei; Hu, Huai-Ming; Han, Zhong-Xi; Li, Dong-Sheng; Xue, Gang-Lin; Yang, Meng-Lin; Shi, Qi-Zhen","Ligand and pH-Controlled ZnIIBilayer Coordination Polymers Based on Biphenyl-3,3‘,4,4‘-tetracarboxylate","Crystal Growth & Design","2007","7","8","1514","","10.1021/cg0703240","","","0.71073","MoKα","","0.1429","0.0674","","","0.1123","0.1395","","","","","","0.996","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504332","10.34","0.0012","19.931","0.002","10.3723","0.0012","90","","119.813","0.001","90","","1854.7","0.4","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C4 H8 N20 Zn2 -","- C4 H8 N20 Zn2 -","- C16 H32 N80 Zn8 -","4","1","","Wang, Xian−Wen; Chen, Jing-Zhong; Liu, Jian-Hong","Photoluminescent Zn(II) Metal−Organic Frameworks Built from Tetrazole Ligand: 2D Four-Connected Regular Honeycomb (4363)-net","Crystal Growth & Design","2007","7","7","1227","","10.1021/cg070330w","","","0.71073","MoKα","","0.0683","0.0543","","","0.1584","0.1632","","","","","","1.069","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504333","6.3449","0.0005","10.4301","0.0007","6.6211","0.0005","90","","90","","90","","438.17","0.06","293","2","293","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C H3 N5 O Zn -","- C H3 N5 O Zn -","- C4 H12 N20 O4 Zn4 -","4","0.5","","Wang, Xian−Wen; Chen, Jing-Zhong; Liu, Jian-Hong","Photoluminescent Zn(II) Metal−Organic Frameworks Built from Tetrazole Ligand: 2D Four-Connected Regular Honeycomb (4363)-net","Crystal Growth & Design","2007","7","7","1227","","10.1021/cg070330w","","","0.71073","MoKα","","0.0233","0.02","","","0.0556","0.058","","","","","","1.157","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504334","12.2204","0.0015","13.387","0.003","14.26","0.003","115.38","0.02","95.156","0.012","91.053","0.013","2095","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H46 Cl Mn2 N7 O15.5 -","- C37 H43 Cl Mn2 N7 O15.365 -","- C74 H86 Cl2 Mn4 N14 O30.73 -","2","1","","Nastase, Silviu; Tuna, Floriana; Maxim, Catalin; Muryn, Christopher A.; Avarvari, Narcis; Winpenny, Richard E. P.; Andruh, Marius","Supramolecular Dimers and Chains Resulting from Second Coordination Sphere Interactions","Crystal Growth & Design","2007","7","9","1825","","10.1021/cg070332g","","","0.71073","MoKα","","0.077","0.0385","","","0.0867","0.1068","","","","","","1.033","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504335","9.277","0.003","11.163","0.004","11.396","0.004","70.286","0.004","67.456","0.004","67.131","0.004","979.4","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H22 N6 O14 Zn5 -","- C36 H22 N6 O14 Zn5 -","- C36 H22 N6 O14 Zn5 -","1","0.5","","Yang, En-Cui; Zhao, Hong-Kun; Ding, Bin; Wang, Xiu-Guang; Zhao, Xiao-Jun","Four Novel Three-Dimensional Triazole-Based Zinc(II) Metal−Organic Frameworks Controlled by the Spacers of Dicarboxylate Ligands: Hydrothermal Synthesis, Crystal Structure, and Luminescence Properties","Crystal Growth & Design","2007","7","10","2009","","10.1021/cg070356n","","","0.71073","MoKα","","0.0458","0.0361","","","0.0869","0.0902","","","","","","1.037","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504336","4.8109","0.0003","22.4828","0.0015","9.7706","0.0006","90","","99.738","0.001","90","","1041.59","0.11","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N3 O2 Zn -","- C10 H9 N3 O2 Zn -","- C40 H36 N12 O8 Zn4 -","4","1","","Yang, En-Cui; Zhao, Hong-Kun; Ding, Bin; Wang, Xiu-Guang; Zhao, Xiao-Jun","Four Novel Three-Dimensional Triazole-Based Zinc(II) Metal−Organic Frameworks Controlled by the Spacers of Dicarboxylate Ligands: Hydrothermal Synthesis, Crystal Structure, and Luminescence Properties","Crystal Growth & Design","2007","7","10","2009","","10.1021/cg070356n","","","0.71073","MoKα","","0.0227","0.0195","","","0.0498","0.0508","","","","","","1.036","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504337","11.2054","0.0018","9.9383","0.0016","8.8327","0.0014","90","","92.627","0.002","90","","982.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 N3 O2 Zn -","- C9 H8 N3 O2 Zn -","- C36 H32 N12 O8 Zn4 -","4","1","","Yang, En-Cui; Zhao, Hong-Kun; Ding, Bin; Wang, Xiu-Guang; Zhao, Xiao-Jun","Four Novel Three-Dimensional Triazole-Based Zinc(II) Metal−Organic Frameworks Controlled by the Spacers of Dicarboxylate Ligands: Hydrothermal Synthesis, Crystal Structure, and Luminescence Properties","Crystal Growth & Design","2007","7","10","2009","","10.1021/cg070356n","","","0.71073","MoKα","","0.0219","0.0189","","","0.051","0.052","","","","","","1.017","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504338","9.85","0.002","8.976","0.002","19.99","0.004","90","","90","","90","","1767.4","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C8.5 H7 N3 O2 Zn -","- C8.5 H7 N3 O2 Zn -","- C68 H56 N24 O16 Zn8 -","8","1","","Yang, En-Cui; Zhao, Hong-Kun; Ding, Bin; Wang, Xiu-Guang; Zhao, Xiao-Jun","Four Novel Three-Dimensional Triazole-Based Zinc(II) Metal−Organic Frameworks Controlled by the Spacers of Dicarboxylate Ligands: Hydrothermal Synthesis, Crystal Structure, and Luminescence Properties","Crystal Growth & Design","2007","7","10","2009","","10.1021/cg070356n","","","0.71073","MoKα","","0.026","0.0209","","","0.0575","0.0598","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504339","12.237","0.002","15.295","0.003","9.6444","0.0019","90","","108.791","0.004","90","","1708.9","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Co N2 O8 P2 -","- C14 H18 Co N2 O8 P2 -","- C56 H72 Co4 N8 O32 P8 -","4","0.5","","Fu, Shu-Juan; Cheng, Ching-Yuan; Lin, Kuan-Jiuh","A Reversible Octahedral to Trigonal−Bipyramidal Cobalt Coordination Change in an Aquo-Accessible Coordination Network","Crystal Growth & Design","2007","7","8","1381","","10.1021/cg070361r","","","0.71073","MoKα","","0.084","0.0469","","","0.1091","0.127","","","","","","1.025","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504340","5.5422","0.0006","10.9953","0.0012","12.9331","0.0013","86.572","0.002","82.114","0.002","84.112","0.002","775.71","0.14","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H12 Co N2 O6 P2 -","- C14 H12 Co N2 O6 P2 -","- C28 H24 Co2 N4 O12 P4 -","2","1","","Fu, Shu-Juan; Cheng, Ching-Yuan; Lin, Kuan-Jiuh","A Reversible Octahedral to Trigonal−Bipyramidal Cobalt Coordination Change in an Aquo-Accessible Coordination Network","Crystal Growth & Design","2007","7","8","1381","","10.1021/cg070361r","","","0.71073","MoKα","","0.0864","0.0555","","","0.1425","0.1705","","","","","","1.044","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504341","6.9389","0.0014","18.353","0.004","7.7976","0.0016","90","","98.445","0.004","90","","982.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 Cu N O7 -","- C8 H9 Cu N O7 -","- C32 H36 Cu4 N4 O28 -","4","1","","Lin, Jian-Guo; Su, Yang; Tian, Zheng-Fang; Qiu, Ling; Wen, Li-Li; Lu, Zhen-Da; Li, Yi-Zhi; Meng, Qing-Jin","Organic‒Inorganic Hybrid Coordination Polymers Based on 6-Methylpyridine-2,4-dicarboxylic Acid N-Oxide (MPDCO) Ligand: Preparations, Interpenetrating Structures, and Magnetic and Luminescent Properties","Crystal Growth & Design","2007","7","12","2526","","10.1021/cg070363b","","","0.71073","MoKα","","0.0869","0.0505","","","0.0911","0.0972","","","","","","1.026","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504342","18.758","0.004","10.859","0.002","20.596","0.004","90","","114.928","0.004","90","","3804.4","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Co N3 O7 -","- C18 H17.004 Co N3 O7.0015 -","- C144 H136.032 Co8 N24 O56.012 -","8","1","","Lin, Jian-Guo; Su, Yang; Tian, Zheng-Fang; Qiu, Ling; Wen, Li-Li; Lu, Zhen-Da; Li, Yi-Zhi; Meng, Qing-Jin","Organic‒Inorganic Hybrid Coordination Polymers Based on 6-Methylpyridine-2,4-dicarboxylic Acid N-Oxide (MPDCO) Ligand: Preparations, Interpenetrating Structures, and Magnetic and Luminescent Properties","Crystal Growth & Design","2007","7","12","2526","","10.1021/cg070363b","","","0.71073","MoKα","","0.0938","0.052","","","0.0977","0.1066","","","","","","0.855","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504343","18.656","0.005","10.847","0.003","20.452","0.005","90","","115.032","0.005","90","","3750","1.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 N3 Ni O7 -","- C18 H17.002 N3 Ni O7.001 -","- C144 H136.016 N24 Ni8 O56.008 -","8","1","","Lin, Jian-Guo; Su, Yang; Tian, Zheng-Fang; Qiu, Ling; Wen, Li-Li; Lu, Zhen-Da; Li, Yi-Zhi; Meng, Qing-Jin","Organic‒Inorganic Hybrid Coordination Polymers Based on 6-Methylpyridine-2,4-dicarboxylic Acid N-Oxide (MPDCO) Ligand: Preparations, Interpenetrating Structures, and Magnetic and Luminescent Properties","Crystal Growth & Design","2007","7","12","2526","","10.1021/cg070363b","","","0.71073","MoKα","","0.0612","0.043","","","0.085","0.0891","","","","","","1.018","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504344","18.867","0.003","13.511","0.002","16.415","0.003","90","","106.892","0.004","90","","4003.8","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Co N3 O7 -","- C20 H20 Co N3 O7 -","- C160 H160 Co8 N24 O56 -","8","1","","Lin, Jian-Guo; Su, Yang; Tian, Zheng-Fang; Qiu, Ling; Wen, Li-Li; Lu, Zhen-Da; Li, Yi-Zhi; Meng, Qing-Jin","Organic‒Inorganic Hybrid Coordination Polymers Based on 6-Methylpyridine-2,4-dicarboxylic Acid N-Oxide (MPDCO) Ligand: Preparations, Interpenetrating Structures, and Magnetic and Luminescent Properties","Crystal Growth & Design","2007","7","12","2526","","10.1021/cg070363b","","","0.71073","MoKα","","0.0804","0.0534","","","0.1168","0.123","","","","","","1.098","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504345","19.073","0.004","13.329","0.003","16.272","0.004","90","","107.395","0.005","90","","3947.5","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20.75 N3 Ni O7.375 -","- C20 H20.75 N3 Ni O7.375 -","- C160 H166 N24 Ni8 O59 -","8","1","","Lin, Jian-Guo; Su, Yang; Tian, Zheng-Fang; Qiu, Ling; Wen, Li-Li; Lu, Zhen-Da; Li, Yi-Zhi; Meng, Qing-Jin","Organic‒Inorganic Hybrid Coordination Polymers Based on 6-Methylpyridine-2,4-dicarboxylic Acid N-Oxide (MPDCO) Ligand: Preparations, Interpenetrating Structures, and Magnetic and Luminescent Properties","Crystal Growth & Design","2007","7","12","2526","","10.1021/cg070363b","","","0.71073","MoKα","","0.057","0.039","","","0.0884","0.0935","","","","","","1.014","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504346","19.437","0.002","13.4396","0.0015","16.7213","0.0019","90","","106.056","0.002","90","","4197.6","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 N3 O8 Zn -","- C20 H22 N3 O8 Zn -","- C160 H176 N24 O64 Zn8 -","8","1","","Lin, Jian-Guo; Su, Yang; Tian, Zheng-Fang; Qiu, Ling; Wen, Li-Li; Lu, Zhen-Da; Li, Yi-Zhi; Meng, Qing-Jin","Organic‒Inorganic Hybrid Coordination Polymers Based on 6-Methylpyridine-2,4-dicarboxylic Acid N-Oxide (MPDCO) Ligand: Preparations, Interpenetrating Structures, and Magnetic and Luminescent Properties","Crystal Growth & Design","2007","7","12","2526","","10.1021/cg070363b","","","0.71073","MoKα","","0.0782","0.05","","","0.1092","0.1165","","","","","","1.041","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504347","19.429","0.003","13.436","0.002","16.728","0.003","90","","106.133","0.003","90","","4194.8","1.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Cd N3 O7 -","- C20 H20 Cd N3 O7 -","- C160 H160 Cd8 N24 O56 -","8","1","","Lin, Jian-Guo; Su, Yang; Tian, Zheng-Fang; Qiu, Ling; Wen, Li-Li; Lu, Zhen-Da; Li, Yi-Zhi; Meng, Qing-Jin","Organic‒Inorganic Hybrid Coordination Polymers Based on 6-Methylpyridine-2,4-dicarboxylic Acid N-Oxide (MPDCO) Ligand: Preparations, Interpenetrating Structures, and Magnetic and Luminescent Properties","Crystal Growth & Design","2007","7","12","2526","","10.1021/cg070363b","","","0.71073","MoKα","","0.0646","0.0495","","","0.1313","0.1382","","","","","","1.074","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504348","11.431","0.006","8.625","0.004","11.571","0.007","90","","116.38","0.04","90","","1022","1","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 N O -","- C12 H13 N O -","- C48 H52 N4 O4 -","4","1","","Mori, Yutaka; Chiba, Tsuyoshi; Odani, Toru; Matsumoto, Akikazu","Molecular Arrangement and Photoreaction of Sorbamides and Hexadienyl Carbamates with Various N-Substituents in the Solid State","Crystal Growth & Design","2007","7","7","1356","","10.1021/cg070366o","","","0.71075","MoKα","","0.0639","0.0428","","","0.1173","0.126","","","","","","1.025","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504349","9.8398","0.0005","19.3105","0.0011","23.9105","0.0013","90","","100.863","0.002","90","","4461.9","0.4","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C16 H21 N O -","- C16 H21 N O -","- C192 H252 N12 O12 -","12","3","","Mori, Yutaka; Chiba, Tsuyoshi; Odani, Toru; Matsumoto, Akikazu","Molecular Arrangement and Photoreaction of Sorbamides and Hexadienyl Carbamates with Various N-Substituents in the Solid State","Crystal Growth & Design","2007","7","7","1356","","10.1021/cg070366o","","","0.71069","MoKα","","0.1578","0.081","","","0.2271","0.2737","","","","","","1.002","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504350","17.898","0.003","5.0508","0.0006","20.856","0.003","90","","95.256","0.006","90","","1877.4","0.5","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H29 N O -","- C20 H29 N O -","- C80 H116 N4 O4 -","4","1","","Mori, Yutaka; Chiba, Tsuyoshi; Odani, Toru; Matsumoto, Akikazu","Molecular Arrangement and Photoreaction of Sorbamides and Hexadienyl Carbamates with Various N-Substituents in the Solid State","Crystal Growth & Design","2007","7","7","1356","","10.1021/cg070366o","","","0.71069","MoKα","","0.3099","0.0888","","","0.2162","0.3226","","","","","","0.874","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504351","17.536","0.008","5.17","0.0019","25.026","0.011","90","","107.11","0.02","90","","2168.5","1.6","203","2","203","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C24 H37 N O -","- C24 H37 N O -","- C96 H148 N4 O4 -","4","1","","Mori, Yutaka; Chiba, Tsuyoshi; Odani, Toru; Matsumoto, Akikazu","Molecular Arrangement and Photoreaction of Sorbamides and Hexadienyl Carbamates with Various N-Substituents in the Solid State","Crystal Growth & Design","2007","7","7","1356","","10.1021/cg070366o","","","0.71075","MoKα","","0.2285","0.0586","","","0.0797","0.1062","","","","","","0.78","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504352","12.678","0.003","4.8825","0.001","18.413","0.004","90","","92.683","0.008","90","","1138.5","0.4","203","2","203","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C13 H15 N O -","- C13 H15 N O -","- C52 H60 N4 O4 -","4","1","","Mori, Yutaka; Chiba, Tsuyoshi; Odani, Toru; Matsumoto, Akikazu","Molecular Arrangement and Photoreaction of Sorbamides and Hexadienyl Carbamates with Various N-Substituents in the Solid State","Crystal Growth & Design","2007","7","7","1356","","10.1021/cg070366o","","","0.71075","MoKα","","0.0989","0.0469","","","0.0954","0.1072","","","","","","0.914","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504353","7.5223","0.0016","4.8304","0.0011","19.125","0.005","90","","91.465","0.007","90","","694.7","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H17 N O -","- C17 H17 N O -","- C34 H34 N2 O2 -","2","1","","Mori, Yutaka; Chiba, Tsuyoshi; Odani, Toru; Matsumoto, Akikazu","Molecular Arrangement and Photoreaction of Sorbamides and Hexadienyl Carbamates with Various N-Substituents in the Solid State","Crystal Growth & Design","2007","7","7","1356","","10.1021/cg070366o","","","0.71069","MoKα","","0.0904","0.0572","","","0.1352","0.1588","","","","","","1.067","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504354","4.8485","0.001","13.756","0.004","22.096","0.005","90","","90","","90","","1473.7","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","","Mori, Yutaka; Chiba, Tsuyoshi; Odani, Toru; Matsumoto, Akikazu","Molecular Arrangement and Photoreaction of Sorbamides and Hexadienyl Carbamates with Various N-Substituents in the Solid State","Crystal Growth & Design","2007","7","7","1356","","10.1021/cg070366o","","","0.71075","MoKα","","0.1136","0.0667","","","0.16","0.1917","","","","","","1.061","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504355","9.077","0.0009","13.2357","0.0015","19.652","0.002","90","","90","","90","","2361","0.4","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N O -","- C13 H15 N O -","- C104 H120 N8 O8 -","8","1","","Mori, Yutaka; Chiba, Tsuyoshi; Odani, Toru; Matsumoto, Akikazu","Molecular Arrangement and Photoreaction of Sorbamides and Hexadienyl Carbamates with Various N-Substituents in the Solid State","Crystal Growth & Design","2007","7","7","1356","","10.1021/cg070366o","","","0.71075","MoKα","","0.1245","0.0749","","","0.1409","0.1592","","","","","","1.094","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504356","5.043","0.002","7.064","0.003","32.897","0.013","90","","90","","90","","1171.9","0.8","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Mori, Yutaka; Chiba, Tsuyoshi; Odani, Toru; Matsumoto, Akikazu","Molecular Arrangement and Photoreaction of Sorbamides and Hexadienyl Carbamates with Various N-Substituents in the Solid State","Crystal Growth & Design","2007","7","7","1356","","10.1021/cg070366o","","","0.71069","MoKα","","0.0874","0.0725","","","0.1889","0.2083","","","","","","1.074","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504357","17.426","0.007","4.757","0.002","18.249","0.008","90","","108.36","0.04","90","","1435.8","1.1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Mori, Yutaka; Chiba, Tsuyoshi; Odani, Toru; Matsumoto, Akikazu","Molecular Arrangement and Photoreaction of Sorbamides and Hexadienyl Carbamates with Various N-Substituents in the Solid State","Crystal Growth & Design","2007","7","7","1356","","10.1021/cg070366o","","","0.71069","MoKα","","0.0709","0.0511","","","0.1189","0.1281","","","","","","1.056","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504358","4.6807","0.0018","12.728","0.005","13.782","0.006","64","0.03","81.56","0.03","80.17","0.04","724.7","0.5","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C34 H34 N2 O4 -","2","1","","Mori, Yutaka; Chiba, Tsuyoshi; Odani, Toru; Matsumoto, Akikazu","Molecular Arrangement and Photoreaction of Sorbamides and Hexadienyl Carbamates with Various N-Substituents in the Solid State","Crystal Growth & Design","2007","7","7","1356","","10.1021/cg070366o","","","0.71075","MoKα","","0.1568","0.0582","","","0.1139","0.1381","","","","","","0.823","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504359","6.9426","0.0004","7.2048","0.0005","9.3201","0.0006","92.459","0.004","91.38","0.004","107.319","0.004","444.31","0.05","203","2","203","2","","","","","","","","3","P -1","-P 1","2","","2-amino-4-methyl-6-(3-pyridyl)pyrimidine","","- C10 H10 N4 -","- C10 H10 N4 -","- C20 H20 N8 -","2","1","","B. Aakeröy, Christer; Schultheiss, Nate; Desper, John; Moore, Curtis","Balancing Hydrogen-Bond Donors and Acceptors in a Family of Bifunctional Aromatic N-Heterocycles","Crystal Growth & Design","2007","7","11","2324","","10.1021/cg070373c","","","0.71073","MoKα","","0.0625","0.05","","","0.1507","0.1613","","","","","","1.119","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504360","5.5629","0.0004","7.4679","0.0006","22.108","0.0018","90","","90","","90","","918.44","0.12","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","2-amino-4-(4-pyridyl)-6-methylpyrimidine","","- C10 H10 N4 -","- C10 H10 N4 -","- C40 H40 N16 -","4","1","","B. Aakeröy, Christer; Schultheiss, Nate; Desper, John; Moore, Curtis","Balancing Hydrogen-Bond Donors and Acceptors in a Family of Bifunctional Aromatic N-Heterocycles","Crystal Growth & Design","2007","7","11","2324","","10.1021/cg070373c","","","0.71073","MoKα","","0.0383","0.0365","","","0.1003","0.1022","","","","","","1.05","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504361","12.7944","0.0009","12.9712","0.0009","23.1035","0.0015","90","","90.246","0.004","90","","3834.2","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","NS10b 2-amino-4-(4-pyridyl)-6-methylpyrimidine","","- C10 H10 N4 -","- C10 H10 N4 -","- C160 H160 N64 -","16","4","","B. Aakeröy, Christer; Schultheiss, Nate; Desper, John; Moore, Curtis","Balancing Hydrogen-Bond Donors and Acceptors in a Family of Bifunctional Aromatic N-Heterocycles","Crystal Growth & Design","2007","7","11","2324","","10.1021/cg070373c","","","0.71073","MoKα","","0.1495","0.1079","","","0.265","0.3066","","","","","","1.26","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504362","11.6368","0.0008","7.2494","0.0005","24.7339","0.0017","90","","90","","90","","2086.5","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-amino-4-(6-methoxy-3-pyridyl)-6-methylpyrimidine","","- C11 H12 N4 O -","- C11 H12 N4 O -","- C88 H96 N32 O8 -","8","1","","B. Aakeröy, Christer; Schultheiss, Nate; Desper, John; Moore, Curtis","Balancing Hydrogen-Bond Donors and Acceptors in a Family of Bifunctional Aromatic N-Heterocycles","Crystal Growth & Design","2007","7","11","2324","","10.1021/cg070373c","","","0.71073","MoKα","","0.0507","0.0415","","","0.1056","0.1124","","","","","","1.023","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504363","7.2432","0.0008","7.7893","0.0008","12.695","0.0013","107.292","0.002","91.059","0.002","98.566","0.002","674.75","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1-(2-amino-4-methylpyrimidin-6-yl)-2-(3-methoxypyridin-5-yl)ethyne, (CH2Cl2)0.5","","- C13.5 H13 Cl N4 O -","- C13.5 H13 Cl N4 O -","- C27 H26 Cl2 N8 O2 -","2","1","","B. Aakeröy, Christer; Schultheiss, Nate; Desper, John; Moore, Curtis","Balancing Hydrogen-Bond Donors and Acceptors in a Family of Bifunctional Aromatic N-Heterocycles","Crystal Growth & Design","2007","7","11","2324","","10.1021/cg070373c","","","0.71073","MoKα","","0.0887","0.0677","","","0.1755","0.1922","","","","","","1.253","","","","has coordinates,has disorder","301842","2025-08-21","00:37:14",""
"4504364","8.6286","0.0006","15.3249","0.001","8.178","0.0006","90","","115.507","0.001","90","","976","0.12","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(2-aminopyrimidin-5-yl)-2-(pyrid-3-yl)ethyne","","- C12 H9 N3 -","- C12 H9 N3 -","- C48 H36 N12 -","4","1","","B. Aakeröy, Christer; Schultheiss, Nate; Desper, John; Moore, Curtis","Balancing Hydrogen-Bond Donors and Acceptors in a Family of Bifunctional Aromatic N-Heterocycles","Crystal Growth & Design","2007","7","11","2324","","10.1021/cg070373c","","","0.71073","MoKα","","0.0624","0.0563","","","0.178","0.1887","","","","","","1.464","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504365","5.132","0.002","10.542","0.004","15.457","0.006","83.343","0.019","89.94","0.03","88.14","0.03","830.2","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","1-(6-amino-3-pyridyl)-2-(4-{benzimidazol-1-yl}phenyl) ethyne","","- C21 H16 N4 -","- C21 H16 N4 -","- C42 H32 N8 -","2","1","","B. Aakeröy, Christer; Schultheiss, Nate; Desper, John; Moore, Curtis","Balancing Hydrogen-Bond Donors and Acceptors in a Family of Bifunctional Aromatic N-Heterocycles","Crystal Growth & Design","2007","7","11","2324","","10.1021/cg070373c","","","0.71073","MoKα","","0.2814","0.0881","","","0.1876","0.2667","","","","","","0.823","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504366","17.8214","0.0007","7.2722","0.0004","17.3881","0.0009","90","","90","","90","","2253.51","0.19","233","2","233","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H26 Cl4 N4 O3 -","- C16 H26 Cl4 N4 O3 -","- C64 H104 Cl16 N16 O12 -","4","0.5","","Solchinger, Alexander; Wurst, Klaus; Kopacka, Holger; Bildstein, Benno","Supramolecular Stabilization of Hemiacetals ofN-Alkyl(Benz)Imidazole Aldehydes","Crystal Growth & Design","2007","7","12","2380","","10.1021/cg070377h","","","0.71073","MoKα","","0.0682","0.0509","","","0.1293","0.14","","","","","","1.061","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504367","8.8472","0.0006","11.6962","0.0009","9.7839","0.0004","90","","107.008","0.004","90","","968.15","0.11","233","2","233","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Solchinger, Alexander; Wurst, Klaus; Kopacka, Holger; Bildstein, Benno","Supramolecular Stabilization of Hemiacetals ofN-Alkyl(Benz)Imidazole Aldehydes","Crystal Growth & Design","2007","7","12","2380","","10.1021/cg070377h","","","0.71073","MoKα","","0.0572","0.0393","","","0.0917","0.0981","","","","","","1.054","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504368","13.576","0.006","12.124","0.005","13.478","0.006","90","","90","","90","","2218.4","1.7","293","2","293","2","","","","","","","","4","P b a n :2","-P 2ab 2b","50","","","","- C4 H14 Mg O11 -","- C4 H14 Mg O11 -","- C32 H112 Mg8 O88 -","8","1","","Kam, Kinson C.; Young, Karen L. M.; Cheetham, Anthony K.","Chemical and Structural Diversity in Chiral Magnesium Tartrates and their Racemic andMesoAnalogues","Crystal Growth & Design","2007","7","8","1522","","10.1021/cg070388a","","","0.71073","MoKα","","0.064","0.0452","","","0.1172","0.1278","","","","","","1.081","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504369","10.815","0.004","7.332","0.002","10.033","0.003","90","","111.529","0.005","90","","740.1","0.4","273","2","273","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C4 H8 Mg O8 -","- C4 H8 Mg O8 -","- C16 H32 Mg4 O32 -","4","1","","Kam, Kinson C.; Young, Karen L. M.; Cheetham, Anthony K.","Chemical and Structural Diversity in Chiral Magnesium Tartrates and their Racemic andMesoAnalogues","Crystal Growth & Design","2007","7","8","1522","","10.1021/cg070388a","","","0.71073","MoKα","","0.0548","0.0442","","","0.1179","0.1271","","","","","","1.056","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504370","7.9134","0.0006","11.1318","0.0008","18.3143","0.0014","90","","90","","90","","1613.3","0.2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H18 Mg2 O17 -","- C8 H18 Mg2 O17 -","- C32 H72 Mg8 O68 -","4","1","","Kam, Kinson C.; Young, Karen L. M.; Cheetham, Anthony K.","Chemical and Structural Diversity in Chiral Magnesium Tartrates and their Racemic andMesoAnalogues","Crystal Growth & Design","2007","7","8","1522","","10.1021/cg070388a","","","0.71073","MoKα","","0.0352","0.0338","","","0.0894","0.0918","","","","","","0.856","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504371","7.553","0.0007","8.8704","0.0009","10.5761","0.001","90","","90","","90","","708.58","0.12","273","2","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C4 H6 Mg O7 -","- C4 H6 Mg O7 -","- C16 H24 Mg4 O28 -","4","0.5","","Kam, Kinson C.; Young, Karen L. M.; Cheetham, Anthony K.","Chemical and Structural Diversity in Chiral Magnesium Tartrates and their Racemic andMesoAnalogues","Crystal Growth & Design","2007","7","8","1522","","10.1021/cg070388a","","","0.71073","MoKα","","0.033","0.0315","","","0.082","0.0834","","","","","","1.084","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504372","5.1708","0.0014","9.359","0.003","11.765","0.003","90","","90","","90","","569.3","0.3","273","2","273","2","","","","","","","","4","I 2 2 2","I 2 2","23","","","","- C4 H4 Mg O6 -","- C4 H4 Mg O6 -","- C16 H16 Mg4 O24 -","4","0.5","","Kam, Kinson C.; Young, Karen L. M.; Cheetham, Anthony K.","Chemical and Structural Diversity in Chiral Magnesium Tartrates and their Racemic andMesoAnalogues","Crystal Growth & Design","2007","7","8","1522","","10.1021/cg070388a","","","0.71073","MoKα","","0.0563","0.0523","","","0.1287","0.1311","","","","","","1.132","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504373","5.8204","0.0008","9.8167","0.0013","14.926","0.002","90","","92.252","0.002","90","","852.2","0.2","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H10 Mg O9 -","- C4 H10 Mg O9 -","- C16 H40 Mg4 O36 -","4","1","","Kam, Kinson C.; Young, Karen L. M.; Cheetham, Anthony K.","Chemical and Structural Diversity in Chiral Magnesium Tartrates and their Racemic andMesoAnalogues","Crystal Growth & Design","2007","7","8","1522","","10.1021/cg070388a","","","0.71073","MoKα","","0.0464","0.0414","","","0.1069","0.1106","","","","","","1.073","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504374","10.0616","0.0014","11.2358","0.0016","14.92","0.002","90","","90","","90","","1686.7","0.4","273","2","273","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H10 Mg O9 -","- C4 H10 Mg O9 -","- C32 H80 Mg8 O72 -","8","1","","Kam, Kinson C.; Young, Karen L. M.; Cheetham, Anthony K.","Chemical and Structural Diversity in Chiral Magnesium Tartrates and their Racemic andMesoAnalogues","Crystal Growth & Design","2007","7","8","1522","","10.1021/cg070388a","","","0.71073","MoKα","","0.0849","0.0575","","","0.1237","0.1359","","","","","","1.292","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504375","5.8316","0.0018","13.034","0.004","10.226","0.003","90","","99.286","0.005","90","","767.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 Mg O8 -","- C4 H8 Mg O8 -","- C16 H32 Mg4 O32 -","4","1","","Kam, Kinson C.; Young, Karen L. M.; Cheetham, Anthony K.","Chemical and Structural Diversity in Chiral Magnesium Tartrates and their Racemic andMesoAnalogues","Crystal Growth & Design","2007","7","8","1522","","10.1021/cg070388a","","","0.71073","MoKα","","0.0428","0.0385","","","0.1074","0.1124","","","","","","1.091","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504376","6.866","0.004","9.204","0.005","9.459","0.005","90","","108.156","0.009","90","","568","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H4 Mg O6 -","- C4 H4 Mg O6 -","- C16 H16 Mg4 O24 -","4","0.5","","Kam, Kinson C.; Young, Karen L. M.; Cheetham, Anthony K.","Chemical and Structural Diversity in Chiral Magnesium Tartrates and their Racemic andMesoAnalogues","Crystal Growth & Design","2007","7","8","1522","","10.1021/cg070388a","","","0.71073","MoKα","","0.0984","0.0581","","","0.1345","0.1447","","","","","","1.162","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504377","7.69","0.0015","18.853","0.003","19.405","0.006","90","","90.13","0.04","90","","2813.3","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H39 Co2 O25 -","- C16 H39 Co2 O25 -","- C64 H156 Co8 O100 -","4","0.5","","Huang, You-Gui; Gong, Ya-Qiong; Jiang, Fei-Long; Yuan, Da-Qiang; Wu, Ming-Yan; Gao, Qiang; Wei,; Hong, Mao-Chun","Formation of an Infinite Three-Dimensional Water Network by the Hierarchic Assembly of Bilayer Water Nanotubes of Octamers","Crystal Growth & Design","2007","7","8","1385","","10.1021/cg070401r","","","0.71073","MoKα","","0.1023","0.0878","","","0.2431","0.2618","","","","","","1.074","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504378","8.358","0.002","9.105","0.002","18.954","0.004","90","","90","","90","","1442.4","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H10 Cl2 N4 -","- C15 H10 Cl2 N4 -","- C60 H40 Cl8 N16 -","4","1","","Lu, Zhengliang; Gamez, Patrick; Mutikainen, Ilpo; Turpeinen, Urho; Reedijk, Jan","Supramolecular Assemblies Generated from Both Lone-Pair···π and C−H···π Binding Interactions","Crystal Growth & Design","2007","7","9","1669","","10.1021/cg0704302","","","0.71073","MoKα","","0.0822","0.0372","","","0.0634","0.0755","","","","","","1.058","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504379","16.588","0.003","13.599","0.003","7.735","0.002","90","","107.72","0.03","90","","1662.1","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 N4 O2 -","- C19 H20 N4 O2 -","- C76 H80 N16 O8 -","4","0.5","","Lu, Zhengliang; Gamez, Patrick; Mutikainen, Ilpo; Turpeinen, Urho; Reedijk, Jan","Supramolecular Assemblies Generated from Both Lone-Pair···π and C−H···π Binding Interactions","Crystal Growth & Design","2007","7","9","1669","","10.1021/cg0704302","","","0.71073","MoKα","","0.082","0.04","","","0.0773","0.0907","","","","","","1.06","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504380","13.173","0.005","8.493","0.005","12.555","0.005","90","","90","","90","","1404.6","1.1","89","2","89","2","","","","","","","","7","P n a 21","P 2c -2n","33","compound 1 cbao","","","- C11 H11 Ag B F4 N3 S -","- C11 H11 Ag B F4 N3 S -","- C44 H44 Ag4 B4 F16 N12 S4 -","4","1","","Black, Cory A.; Hanton, Lyall R.","An Atypical Network: Noninterpenetrating (10,3)-d Nets Using an Unsymmetrical Flexible Ligand and Ag(I) as Three-Connected Nodes","Crystal Growth & Design","2007","7","9","1868","","10.1021/cg070437j","","","0.71069","MoKα","","0.0542","0.0439","","","0.1202","0.1278","","","","","","1.109","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504381","13.08","0.004","8.564","0.003","12.607","0.004","90","","90","","90","","1412.2","0.8","90","2","90","2","","","","","","","","7","P n a 21","P 2c -2n","33","compound 2 cban","","","- C11 H11 Ag Cl N3 O4 S -","- C11 H11 Ag Cl N3 O4 S -","- C44 H44 Ag4 Cl4 N12 O16 S4 -","4","1","","Black, Cory A.; Hanton, Lyall R.","An Atypical Network: Noninterpenetrating (10,3)-d Nets Using an Unsymmetrical Flexible Ligand and Ag(I) as Three-Connected Nodes","Crystal Growth & Design","2007","7","9","1868","","10.1021/cg070437j","","","0.71073","MoKα","","0.0315","0.026","","","0.0584","0.0606","","","","","","1.038","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504382","13.939","0.005","8.334","0.005","12.856","0.005","90","","90","","90","","1493.5","1.2","123","2","123","2","","","","","","","","7","P n a 21","P 2c -2n","33","compound 3 cbam","","","- C11 H11 Ag F6 N3 P S -","- C11 H11 Ag F6 N3 P S -","- C44 H44 Ag4 F24 N12 P4 S4 -","4","1","","Black, Cory A.; Hanton, Lyall R.","An Atypical Network: Noninterpenetrating (10,3)-d Nets Using an Unsymmetrical Flexible Ligand and Ag(I) as Three-Connected Nodes","Crystal Growth & Design","2007","7","9","1868","","10.1021/cg070437j","","","0.71069","MoKα","","0.0276","0.0216","","","0.0508","0.0531","","","","","","1.024","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504383","31.7406","0.0007","31.7406","0.0007","31.7406","0.0007","90","","90","","90","","31977.6","1.2","100","2","100","2","","","","","","","","7","P 41 3 2","P 4bd 2ab 3","213","","","","- C88 H68 Ag3 F18 O2 Sb3 Se8 -","- C88 H68 Ag2.999 F18 O2 Sb3 Se8 -","- C1056 H816 Ag35.988 F216 O24 Sb36 Se96 -","12","0.5","","Huang, Guo; Xu, Hanhui; Zhou, Xiao-Ping; Xu, Zhengtao; Li, Kunhao; Zeller, Matthias; Hunter, Allen D.","Assembly of Large Aromatic Selenoether Ligands into Cubic and Non-interpenetrated (10, 3)-aNets","Crystal Growth & Design","2007","7","12","2542","","10.1021/cg070447k","","","0.71073","MoKα","","0.0848","0.0585","","","0.1711","0.1956","","","","","","1.071","","","","has coordinates,has disorder","179578","2020-10-21","18:00:00",""
"4504384","24.1021","0.0006","24.1021","0.0006","24.1021","0.0006","90","","90","","90","","14001.2","0.6","90","2","90","2","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","","","- C126 H87 Ag3 B F4 N3 O6 Se12 -","- C126 H87 Ag3 B F4 N3 O6 Se12 -","- C504 H348 Ag12 B4 F16 N12 O24 Se48 -","4","0.333333","","Huang, Guo; Xu, Hanhui; Zhou, Xiao-Ping; Xu, Zhengtao; Li, Kunhao; Zeller, Matthias; Hunter, Allen D.","Assembly of Large Aromatic Selenoether Ligands into Cubic and Non-interpenetrated (10, 3)-aNets","Crystal Growth & Design","2007","7","12","2542","","10.1021/cg070447k","","","0.71073","MoKα","","0.0525","0.0445","","","0.1539","0.1604","","","","","","1.215","","","","has coordinates,has disorder","179578","2020-10-21","18:00:00",""
"4504385","8.8541","0.0003","32.115","0.005","10.0644","0.0011","90","","104.036","0.007","90","","2776.4","0.5","298","2","298","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","nevirapine hemihydrate","","- C15 H15 N4 O1.5 -","- C15 H15 N4 O1.5 -","- C120 H120 N32 O12 -","8","2","","Pereira, Bruno G.; Fonte-Boa, Fabio D.; Resende, Jackson A. L. C.; Pinheiro, Carlos B.; Fernandes, Nelson G.; Yoshida, Maria I.; Vianna-Soares, Cristina D.","Pseudopolymorphs and Intrinsic Dissolution of Nevirapine","Crystal Growth & Design","2007","7","10","2016","2023","10.1021/cg0704495","","","0.71073","MoKα","","0.1343","0.0531","","","0.0913","0.1124","","","","","","1.005","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504386","7.9249","0.0016","8.6013","0.0017","12.7431","0.0025","95.43","0.03","90.16","0.03","112.33","0.02","799.2","0.3","298","2","298","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","nevirapine hemi-ethyl acetate solvate","","- C17 H18 N4 O2 -","- C17 H18 N4 O2 -","- C34 H36 N8 O4 -","2","1","","Pereira, Bruno G.; Fonte-Boa, Fabio D.; Resende, Jackson A. L. C.; Pinheiro, Carlos B.; Fernandes, Nelson G.; Yoshida, Maria I.; Vianna-Soares, Cristina D.","Pseudopolymorphs and Intrinsic Dissolution of Nevirapine","Crystal Growth & Design","2007","7","10","2016","2023","10.1021/cg0704495","","","0.71073","MoKα","","0.0942","0.0554","","","0.1335","0.1553","","","","","","1.014","","","","has coordinates,has disorder","211132","2020-10-21","18:00:00",""
"4504387","13.903","0.005","7.959","0.005","14.655","0.005","90","0.005","90","","90","","1621.6","1.3","84","2","84","2","","","","","","","","4","P m n a","-P 2ac 2","53","(H4TETA)(Hfum)4 3.3 (H2O)","","","- C22 H40.6 N4 O19.3 -","- C22 H38 N4 O18 -","- C44 H76 N8 O36 -","2","0.25","","Wichmann, Kathrin A.; Boyd, Peter D. W.; Söhnel, Tilo; Allen, Grant R.; Phillips, Anthony R. J.; Cooper, Garth J. S.","Characterization of Dicarboxylic Salts of Protonated Triethylenetetramine Useful for the Treatment of Copper-Related Pathologies†","Crystal Growth & Design","2007","7","9","1844","","10.1021/cg0704549","","","0.71073","MoKα","","0.0725","0.0668","","","0.1482","0.1517","","","","","","1.143","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504388","13.261","0.005","9.342","0.005","11.266","0.005","90","0.005","91.01","0.005","90","0.005","1395.5","1.1","83","","83","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","(H4TETA)(Hmal)4 2(H2O)","","","- C22 H39 N4 O18 -","- C22 H36 N4 O17 -","- C44 H72 N8 O34 -","2","0.5","","Wichmann, Kathrin A.; Boyd, Peter D. W.; Söhnel, Tilo; Allen, Grant R.; Phillips, Anthony R. J.; Cooper, Garth J. S.","Characterization of Dicarboxylic Salts of Protonated Triethylenetetramine Useful for the Treatment of Copper-Related Pathologies†","Crystal Growth & Design","2007","7","9","1844","","10.1021/cg0704549","","","0.71069","MoKα","","0.0534","0.0449","","","0.1172","0.1241","","","","","","1.157","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504389","14.0595","0.0002","9.1692","0.0001","13.6466","0.0002","90","","92.47","0.001","90","","1757.61","0.04","84","2","84","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","(H4TETA)(suc)","","","- C14 H30 N4 O8 -","- C14 H30 N4 O8 -","- C56 H120 N16 O32 -","4","0.5","","Wichmann, Kathrin A.; Boyd, Peter D. W.; Söhnel, Tilo; Allen, Grant R.; Phillips, Anthony R. J.; Cooper, Garth J. S.","Characterization of Dicarboxylic Salts of Protonated Triethylenetetramine Useful for the Treatment of Copper-Related Pathologies†","Crystal Growth & Design","2007","7","9","1844","","10.1021/cg0704549","","","0.71073","MoKα","","0.0389","0.0339","","","0.0874","0.0909","","","","","","1.137","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504390","33.573","0.007","46.947","0.011","9.467","0.002","90","","90","","90","","14921","6","294.15","","294.15","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C140 H168 Ag8 N40 O28 -","- C140 H160 Ag8 N40 O28 -","- C560 H640 Ag32 N160 O112 -","4","0.25","","Song, Li; Du, Shao-Wu; Lin, Jian-Di; Zhou, Hui; Li, Tao","A 3D Metal‒Organic Framework with Rare 3-Fold Interpenetrating Dia-g Nets Based on Silver(I) and Novel Tetradentate Imidazolate Ligand: Synthesis, Structure, and Possible Ferroelectric Property","Crystal Growth & Design","2007","7","11","2268","","10.1021/cg070458d","","","0.71073","MoKα","","0.0663","0.0578","","","0.1628","0.1791","","","","","","1.051","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504391","37.783","0.009","11.207","0.003","8.53","0.002","90","","94.835","0.001","90","","3599","1.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cl4 Fe S8 Se8 -","- C20 H16 Cl4 Fe S8 Se8 -","- C80 H64 Cl16 Fe4 S32 Se32 -","4","0.5","","Zhang, Bin; Laurence Pratt, Francis; Kurmoo, Mohamedally; Okano, Yoshinori; Kobayashi, Hayao; Zhu, Daoben","A Hybrid Organic‒Inorganic Conductor κ′-BETS2FeCl4, BETS = Bis(ethylenedithio)tetraselenafulvalene","Crystal Growth & Design","2007","7","12","2548","","10.1021/cg0704605","","","0.71073","MoKα","","0.0754","0.0518","","","0.1245","0.137","","","","","","0.97","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504392","11.0983","0.0007","11.0983","0.0007","19.6865","0.0019","90","","90","","90","","2424.8","0.3","173","2","173","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","Co-pyrimidine helix","","","- C4 H4 Co F6 N2 O5 Si -","- C4 H4 Co F6 N2 O5 Si -","- C32 H32 Co8 F48 N16 O40 Si8 -","8","1","","Cordes, David, B.; Rogers, Robin D.","Enantiomorphic Helical Coordination Polymers of {[M(pyrimidine)(OH2)4][SiF6]·H2O}∞(M = Co2+, Cu2+, Zn2+)","Crystal Growth & Design","2007","7","10","1943","","10.1021/cg070462p","","","0.71073","MoKα","","0.1107","0.0854","","","0.2103","0.2233","","","","","","1.117","","","","has coordinates,has disorder","179578","2020-10-21","18:00:00",""
"4504393","11.1513","0.0006","11.1513","0.0006","19.3206","0.0014","90","","90","","90","","2402.5","0.3","173","2","173","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","Cu-pyrimidine helix","","","- C4 H14 Cu F6 N2 O5 Si -","- C4 H14 Cu F6 N2 O5 Si -","- C32 H112 Cu8 F48 N16 O40 Si8 -","8","1","","Cordes, David, B.; Rogers, Robin D.","Enantiomorphic Helical Coordination Polymers of {[M(pyrimidine)(OH2)4][SiF6]·H2O}∞(M = Co2+, Cu2+, Zn2+)","Crystal Growth & Design","2007","7","10","1943","","10.1021/cg070462p","","","0.71073","MoKα","","0.0484","0.0295","","","0.0521","0.0561","","","","","","0.927","","","","has coordinates,has disorder","179578","2020-10-21","18:00:00",""
"4504394","11.186","0.0002","11.186","0.0002","19.7088","0.0004","90","","90","","90","","2466.1","0.08","173","2","173","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","Zn-pyrimidine helix","","","- C4 H14 F6 N2 O5 Si Zn -","- C4 H14 F6 N2 O5 Si Zn -","- C32 H112 F48 N16 O40 Si8 Zn8 -","8","1","","Cordes, David, B.; Rogers, Robin D.","Enantiomorphic Helical Coordination Polymers of {[M(pyrimidine)(OH2)4][SiF6]·H2O}∞(M = Co2+, Cu2+, Zn2+)","Crystal Growth & Design","2007","7","10","1943","","10.1021/cg070462p","","","0.71073","MoKα","","0.09","0.0482","","","0.0755","0.0853","","","","","","0.65","","","","has coordinates,has disorder","179578","2020-10-21","18:00:00",""
"4504395","10.077","0.003","11.465","0.003","11.957","0.003","115.208","0.005","102.393","0.005","101.113","0.005","1155.9","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H15 Ag2 F6 N O4 -","- C22 H15 Ag2 F6 N O4 -","- C44 H30 Ag4 F12 N2 O8 -","2","1","","Akhbari, Kamran; Morsali, Ali","One-Dimensional Corrugated Tape AgICoordination Polymers Constructed of Ag−C Bonds","Crystal Growth & Design","2007","7","10","2024","","10.1021/cg0704652","","","0.71073","MoKα","","0.0694","0.0552","","","0.1047","0.1111","","","","","","1.07","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504396","10.1623","0.0006","11.6994","0.0007","13.3822","0.0012","104.428","0.005","103.912","0.005","108.466","0.005","1370.37","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H19 Ag2 F6 N O4 -","- C30 H19 Ag2 F6 N O4 -","- C60 H38 Ag4 F12 N2 O8 -","2","1","","Akhbari, Kamran; Morsali, Ali","One-Dimensional Corrugated Tape AgICoordination Polymers Constructed of Ag−C Bonds","Crystal Growth & Design","2007","7","10","2024","","10.1021/cg0704652","","","0.71073","MoKα","","0.0377","0.0294","","","0.0711","0.0767","","","","","","0.992","","","","has coordinates,has disorder","179578","2020-10-21","18:00:00",""
"4504397","11.862","0.002","18.883","0.003","22.445","0.004","96.668","0.003","94.163","0.003","95.226","0.002","4955.1","1.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H108 N8 O45 S6 -","- C90 H108 N8 O45 S6 -","- C180 H216 N16 O90 S12 -","2","1","","Liu, Yu; Li, Qiang; Guo, Dong-Sheng; Chen, Kun","Polymeric Capsules and Honeycomb Aggregates Formed byp-Sulfonatocalix[6]arene with Phenanthrolinium Compounds","Crystal Growth & Design","2007","7","9","1672","","10.1021/cg0704854","","","0.7107","MoKα","","0.1008","0.0726","","","0.1764","0.1986","","","","","","1.072","","","","has coordinates","179578","2020-10-21","18:00:00",""
"4504398","18.256","0.003","18.995","0.003","20.708","0.004","104.437","0.003","107.218","0.006","109.746","0.008","5948.6","1.9","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C87 H185 N6 O55.5 S6 -","- C87 H72 N6 O55.5 S6 -","- C174 H144 N12 O111 S12 -","2","1","","Liu, Yu; Li, Qiang; Guo, Dong-Sheng; Chen, Kun","Polymeric Capsules and Honeycomb Aggregates Formed byp-Sulfonatocalix[6]arene with Phenanthrolinium Compounds","Crystal Growth & Design","2007","7","9","1672","","10.1021/cg0704854","","","0.7107","MoKα","","0.1677","0.1415","","","0.3945","0.4195","","","","","","1.381","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504399","6.2515","0.0018","9.199","0.003","19.577","0.006","90","","90","","90","","1125.8","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C52 H48 N8 O8 -","4","1","","Wang, Yong-Tao; Tang, Gui-Mei; Liu, Zhi-Min; Yi, Xiang-Hui","Can One-Dimensional Water Be Controlled by Transformation of Substitution Groups Based on Organic Hosts?","Crystal Growth & Design","2007","7","11","2272","","10.1021/cg070487o","","","0.71073","MoKα","","0.0545","0.0471","","","0.1114","0.1165","","","","","","0.992","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504400","4.721","0.002","9.606","0.005","31.948","0.015","90","","91.149","0.008","90","","1448.5","1.2","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N2 O4 -","- C14 H18 N2 O4 -","- C56 H72 N8 O16 -","4","1","","Wang, Yong-Tao; Tang, Gui-Mei; Liu, Zhi-Min; Yi, Xiang-Hui","Can One-Dimensional Water Be Controlled by Transformation of Substitution Groups Based on Organic Hosts?","Crystal Growth & Design","2007","7","11","2272","","10.1021/cg070487o","","","0.71073","MoKα","","0.1246","0.0572","","","0.1103","0.129","","","","","","0.978","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504401","4.874","0.0001","10.5636","0.0003","30.8767","0.001","90","","90","","90","","1589.75","0.08","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N2 O4 -","- C15 H20 N2 O4 -","- C60 H80 N8 O16 -","4","1","","Wang, Yong-Tao; Tang, Gui-Mei; Liu, Zhi-Min; Yi, Xiang-Hui","Can One-Dimensional Water Be Controlled by Transformation of Substitution Groups Based on Organic Hosts?","Crystal Growth & Design","2007","7","11","2272","","10.1021/cg070487o","","","0.71073","MoKα","","0.0884","0.0447","","","0.0812","0.0911","","","","","","0.976","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504402","8.9189","0.0005","10.2904","0.0005","27.9198","0.0014","90","","90","","90","","2562.5","0.2","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H34 N2 O6 -","- C29 H34 N2 O6 -","- C116 H136 N8 O24 -","4","1","","Imai, Yoshitane; Kawaguchi, Kakuhiro; Murata, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Tunable Two-Component Host System with Multiple Chiral Points Composed of Cyclohexanediamine and 1,1‘-Binaphthyl-2,2‘-dicarboxylic Acid","Crystal Growth & Design","2007","7","9","1676","","10.1021/cg070507m","","","0.71073","MoKα","","0.0452","0.0399","","","0.0937","0.1013","","","","","","1.068","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504403","8.8746","0.0005","10.4445","0.0006","28.283","0.0015","90","","90","","90","","2621.6","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 N2 O6 -","- C30 H36 N2 O6 -","- C120 H144 N8 O24 -","4","1","","Imai, Yoshitane; Kawaguchi, Kakuhiro; Murata, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Tunable Two-Component Host System with Multiple Chiral Points Composed of Cyclohexanediamine and 1,1‘-Binaphthyl-2,2‘-dicarboxylic Acid","Crystal Growth & Design","2007","7","9","1676","","10.1021/cg070507m","","","0.71073","MoKα","","0.0485","0.0443","","","0.1091","0.1118","","","","","","1.067","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504404","9.1854","0.0006","15.1465","0.0011","36.763","0.003","90","","90","","90","","5114.7","0.7","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C59 H66 N2 O11 -","- C59 H65 N2 O11 -","- C236 H260 N8 O44 -","4","1","","Imai, Yoshitane; Kawaguchi, Kakuhiro; Murata, Katuzo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Tunable Two-Component Host System with Multiple Chiral Points Composed of Cyclohexanediamine and 1,1‘-Binaphthyl-2,2‘-dicarboxylic Acid","Crystal Growth & Design","2007","7","9","1676","","10.1021/cg070507m","","","0.71073","MoKα","","0.0571","0.0497","","","0.1165","0.1227","","","","","","1.053","","","","has coordinates,has disorder","179579","2020-10-21","18:00:00",""
"4504405","8.5634","0.0005","19.2808","0.0011","8.6971","0.0005","90","","108.028","0.001","90","","1365.47","0.14","289","2","289","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Cu2 N10 -","- C12 H8 Cu2 N10 -","- C48 H32 Cu8 N40 -","4","1","","Tang, Yun-Zhi; Wang, Guo-Xi; Ye, Qiong; Xiong, Ren-Gen; Yuan, Rong-Xin","Heterometallic Tetrazole Coordination Polymer Formed through 2 + 3 Cycloaddition Reaction between Inorganic Complexes in the Presence of Lewis Acid","Crystal Growth & Design","2007","7","12","2382","","10.1021/cg070528g","","","0.71073","MoKα","","0.0266","0.0254","","","0.069","0.0697","","","","","","1.059","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504406","6.6799","0.0005","17.8844","0.0014","14.9376","0.0012","90","","90","","90","","1784.5","0.2","293","2","293","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C12 H8 Cd2 Cl3 Cu N10 -","- C12 H8 Cd2 Cl3 Cu N10 -","- C48 H32 Cd8 Cl12 Cu4 N40 -","4","0.5","","Tang, Yun-Zhi; Wang, Guo-Xi; Ye, Qiong; Xiong, Ren-Gen; Yuan, Rong-Xin","Heterometallic Tetrazole Coordination Polymer Formed through 2 + 3 Cycloaddition Reaction between Inorganic Complexes in the Presence of Lewis Acid","Crystal Growth & Design","2007","7","12","2382","2386","10.1021/cg070528g","","","0.71073","MoKα","","0.0226","0.0214","","","0.055","0.0556","","","","","","1.063","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504407","10.6215","0.0012","11.8452","0.0013","14.125","0.0016","109.281","0.002","90.098","0.002","113.112","0.002","1525.1","0.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H27 Cl4 Cu N6 S2 -","- C27 H27 Cl4 Cu N6 S2 -","- C54 H54 Cl8 Cu2 N12 S4 -","2","1","","Lenthall, Joseph T.; Anderson, Kirsty M.; Smith, Stephen J.; Steed, Jonathan W.","Crystal Packing in Equilibrating Systems: A Single Crystal Containing Three Isomers of CuCl(1-pyridin-2-yl-3-p-tolyl-thiourea)2","Crystal Growth & Design","2007","7","9","1858","","10.1021/cg070533k","","","0.71073","MoKα","","0.125","0.059","","","0.0936","0.11","","","","","","0.991","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504408","25.271","0.002","19.6049","0.0014","21.8179","0.0016","90","","101.369","0.003","90","","10597.3","1.4","120","2","120","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C208 H208 Cl8 Cu8 N48 S16 -","- C208 H208 Cl8 Cu8 N48 S16 -","- C416 H416 Cl16 Cu16 N96 S32 -","2","0.5","","Lenthall, Joseph T.; Anderson, Kirsty M.; Smith, Stephen J.; Steed, Jonathan W.","Crystal Packing in Equilibrating Systems: A Single Crystal Containing Three Isomers of CuCl(1-pyridin-2-yl-3-p-tolyl-thiourea)2","Crystal Growth & Design","2007","7","9","1858","","10.1021/cg070533k","","","0.71073","MoKα","","0.1752","0.0776","","","0.1044","0.1262","","","","","","1.023","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504409","14.237","0.003","14.275","0.002","14.525","0.003","89.983","0.014","78.98","0.016","78.002","0.012","2831.8","0.9","0","2","0","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H49 Cl5 Cu2 N12 S4 -","- C53 H49 Cl5 Cu2 N12 S4 -","- C106 H98 Cl10 Cu4 N24 S8 -","2","1","","Lenthall, Joseph T.; Anderson, Kirsty M.; Smith, Stephen J.; Steed, Jonathan W.","Crystal Packing in Equilibrating Systems: A Single Crystal Containing Three Isomers of CuCl(1-pyridin-2-yl-3-p-tolyl-thiourea)2","Crystal Growth & Design","2007","7","9","1858","","10.1021/cg070533k","","","0.71073","MoKα","","0.2357","0.1777","","","0.4275","0.4587","","","","","","1.602","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504410","16.221","0.002","19.434","0.003","14.943","0.002","90","","114.198","0.002","90","","4296.7","1","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C90 H72 Cd3 N18 O4 S2 -","- C90 H70 Cd3 N18 O4 S2 -","- C180 H140 Cd6 N36 O8 S4 -","2","0.5","","Zheng, Nanfeng; Zhang, Jian; Bu, Xianhui; Feng, Pingyun","Cadmium−Porphyrin Coordination Networks: Rich Coordination Modes and Three-Dimensional Four-Connected CdSO4and (3,5)-Connected hms Nets","Crystal Growth & Design","2007","7","12","2576","","10.1021/cg0705456","","","0.71073","MoKα","","","0.0424","","","0.1147","0.1292","","","","","","1.063","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504411","13.615","0.002","18.578","0.003","14.846","0.003","90","","103.143","0.003","90","","3656.8","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C45 H29 Cd N9 -","- C45 H29 Cd N9 -","- C180 H116 Cd4 N36 -","4","0.5","","Zheng, Nanfeng; Zhang, Jian; Bu, Xianhui; Feng, Pingyun","Cadmium−Porphyrin Coordination Networks: Rich Coordination Modes and Three-Dimensional Four-Connected CdSO4and (3,5)-Connected hms Nets","Crystal Growth & Design","2007","7","12","2576","","10.1021/cg0705456","","","0.71073","MoKα","","","0.0758","","","0.2294","0.2453","","","","","","1.079","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504412","12.852","0.007","15.668","0.007","20.39","0.01","90","","90","","90","","4106","4","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C40 H28 Cd N8 S2 -","- C40 H28 Cd N8 S2 -","- C160 H112 Cd4 N32 S8 -","4","0.5","","Zheng, Nanfeng; Zhang, Jian; Bu, Xianhui; Feng, Pingyun","Cadmium−Porphyrin Coordination Networks: Rich Coordination Modes and Three-Dimensional Four-Connected CdSO4and (3,5)-Connected hms Nets","Crystal Growth & Design","2007","7","12","2576","","10.1021/cg0705456","","","0.71073","MoKα","","","0.0639","","","0.2047","0.2427","","","","","","1.056","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504413","20.49","0.003","25.064","0.004","16.563","0.003","90","","90.683","0.003","90","","8506","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H24 Cd2 I2 N8 -","- C40 H24 Cd2 I2 N8 -","- C320 H192 Cd16 I16 N64 -","8","1","","Zheng, Nanfeng; Zhang, Jian; Bu, Xianhui; Feng, Pingyun","Cadmium−Porphyrin Coordination Networks: Rich Coordination Modes and Three-Dimensional Four-Connected CdSO4and (3,5)-Connected hms Nets","Crystal Growth & Design","2007","7","12","2576","","10.1021/cg0705456","","","0.71073","MoKα","","","0.0591","","","0.1786","0.1982","","","","","","1.064","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504414","28.386","0.004","7.5189","0.0008","19.822","0.002","90","","111.757","0.003","90","","3929.3","0.8","223","2","223","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C9 H28 Cl In N6 Te2 Zn -","- C9 H28 Cl In N6 Te2 Zn -","- C72 H224 Cl8 In8 N48 Te16 Zn8 -","8","1","","Zhou, Jian; Zhang, Yong; Bian, Guo-Qing; Zhu, Qin-Yu; Li, Chun-Ying; Dai, Jie","Solvothermal Synthesis of a Series of Telluridoindate Compounds Displaying Three Types of One-Dimensional Polymeric Anion Chains with the Formula {[InTe2]-}\ιnfty","Crystal Growth & Design","2007","7","9","1889","","10.1021/cg070552u","","","0.71073","MoKα","","0.0496","0.0404","","","0.0987","0.1043","","","","","","1.094","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504415","9.1779","0.0011","18.639","0.002","14.5452","0.0018","90","","94.255","0.003","90","","2481.3","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H32 In2 N8 Ni Te4 -","- C8 H32 In2 N8 Ni Te4 -","- C32 H128 In8 N32 Ni4 Te16 -","4","1","","Zhou, Jian; Zhang, Yong; Bian, Guo-Qing; Zhu, Qin-Yu; Li, Chun-Ying; Dai, Jie","Solvothermal Synthesis of a Series of Telluridoindate Compounds Displaying Three Types of One-Dimensional Polymeric Anion Chains with the Formula {[InTe2]-}\ιnfty","Crystal Growth & Design","2007","7","9","1889","","10.1021/cg070552u","","","0.71073","MoKα","","0.0878","0.0688","","","0.1458","0.1549","","","","","","1.139","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4504416","9.2263","0.0013","18.718","0.003","14.579","0.002","90","","94.04","0.004","90","","2511.5","0.6","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H32 Co In2 N8 Te4 -","- C8 H32 Co In2 N8 Te4 -","- C32 H128 Co4 In8 N32 Te16 -","4","1","","Zhou, Jian; Zhang, Yong; Bian, Guo-Qing; Zhu, Qin-Yu; Li, Chun-Ying; Dai, Jie","Solvothermal Synthesis of a Series of Telluridoindate Compounds Displaying Three Types of One-Dimensional Polymeric Anion Chains with the Formula {[InTe2]-}\ιnfty","Crystal Growth & Design","2007","7","9","1889","","10.1021/cg070552u","","","0.7107","MoKα","","0.1354","0.1147","","","0.2819","0.2935","","","","","","1.208","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4504417","8.7694","0.0012","16.239","0.003","17.691","0.003","113.937","0.003","90.396","0.002","102.834","0.002","2231.8","0.6","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H52 In4 Mn2 N13 Te8 -","- C13 H52 In4 Mn2 N13 Te8 -","- C26 H104 In8 Mn4 N26 Te16 -","2","1","","Zhou, Jian; Zhang, Yong; Bian, Guo-Qing; Zhu, Qin-Yu; Li, Chun-Ying; Dai, Jie","Solvothermal Synthesis of a Series of Telluridoindate Compounds Displaying Three Types of One-Dimensional Polymeric Anion Chains with the Formula {[InTe2]-}\ιnfty","Crystal Growth & Design","2007","7","9","1889","","10.1021/cg070552u","","","0.71073","MoKα","","0.044","0.0358","","","0.075","0.0789","","","","","","1.156","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504418","8.7193","0.0012","16.186","0.003","17.674","0.003","113.825","0.003","90.17","0.002","102.773","0.002","2213.4","0.6","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H52 Fe2 In4 N13 Te8 -","- C13 H48 Fe2 In4 N13 Te8 -","- C26 H96 Fe4 In8 N26 Te16 -","2","1","","Zhou, Jian; Zhang, Yong; Bian, Guo-Qing; Zhu, Qin-Yu; Li, Chun-Ying; Dai, Jie","Solvothermal Synthesis of a Series of Telluridoindate Compounds Displaying Three Types of One-Dimensional Polymeric Anion Chains with the Formula {[InTe2]-}\ιnfty","Crystal Growth & Design","2007","7","9","1889","","10.1021/cg070552u","","","0.71073","MoKα","","0.0641","0.0464","","","0.1001","0.1117","","","","","","1.001","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504419","8.6878","0.0011","16.1364","0.0011","17.6635","0.0019","66.251","0.007","89.949","0.009","77.34","0.008","2200.8","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H52 In4 N13 Te8 Zn2 -","- C13 H48 In4 N13 Te8 Zn2 -","- C26 H96 In8 N26 Te16 Zn4 -","2","1","","Zhou, Jian; Zhang, Yong; Bian, Guo-Qing; Zhu, Qin-Yu; Li, Chun-Ying; Dai, Jie","Solvothermal Synthesis of a Series of Telluridoindate Compounds Displaying Three Types of One-Dimensional Polymeric Anion Chains with the Formula {[InTe2]-}\ιnfty","Crystal Growth & Design","2007","7","9","1889","","10.1021/cg070552u","","","0.71073","MoKα","","0.0945","0.0638","","","0.128","0.1424","","","","","","1.111","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504420","7.785","0.0005","10.302","0.0012","15.0958","0.0011","90.999","0.005","90.994","0.005","112.195","0.005","1120.45","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Au2 N10 Ni -","- C14 H16 Au2 N10 Ni -","- C28 H32 Au4 N20 Ni2 -","2","1","","Katz, Michael J.; Kaluarachchi, Harini; Batchelor, Raymond J.; Schatte, Gabriele; Leznoff, Daniel B.","A Concert of Weak Interactions Generates the Very Complex {Cu(tmeda)[Au(CN)4]2}·1/3H2O Structure","Crystal Growth & Design","2007","7","10","1946","","10.1021/cg070557r","","","0.71073","MoKα","","0.0378","0.0309","","0.0755","0.0719","0.0755","","","","","","1.036","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504421","49.06","0.002","24.6174","0.0008","11.4733","0.0006","90","","100.313","0.002","90","","13632.8","1","293","","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H50 Au6 Cu3 N30 O -","- C42 H50 Au6 Cu3 N30 O -","- C336 H400 Au48 Cu24 N240 O8 -","8","1","","Katz, Michael J.; Kaluarachchi, Harini; Batchelor, Raymond J.; Schatte, Gabriele; Leznoff, Daniel B.","A Concert of Weak Interactions Generates the Very Complex {Cu(tmeda)[Au(CN)4]2}·1/3H2O Structure","Crystal Growth & Design","2007","7","10","1946","","10.1021/cg070557r","","","1.5418","Copper","","0.0698","0.0364","","0.1225","0.049","0.049","","","","","","0.8671","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504422","34.3092","0.0016","34.3092","","14.4613","0.0004","90","","90","","120","","14742.1","0.8","100","2","100","2","","","","","","","","3","P 3 1 c","P 3 -2c","159","","","","- C43 H40 O5 -","- C43 H40 O5 -","- C774 H720 O90 -","18","3","","Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Dalgarno, Scott J.; Atwood, Jerry L.; Raston, Colin L.","Structural Diversity of Methyl-Substituted Inclusion Complexes of Calix[5]arene","Crystal Growth & Design","2007","7","10","2059","","10.1021/cg0705658","","","0.71073","MoKα","","0.1051","0.0698","","","0.1348","0.1528","","","","","","1.002","","","","has coordinates,has disorder","301842","2025-08-21","00:37:14",""
"4504423","33.821","0.004","33.821","","14.57","0.002","90","","90","","120","","14433","3","153","2","153","2","","","","","","","","3","P 3 1 c","P 3 -2c","159","","","","- C42 H38 O5 -","- C42 H38 O5 -","- C756 H684 O90 -","18","3","","Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Dalgarno, Scott J.; Atwood, Jerry L.; Raston, Colin L.","Structural Diversity of Methyl-Substituted Inclusion Complexes of Calix[5]arene","Crystal Growth & Design","2007","7","10","2059","","10.1021/cg0705658","","","0.71073","MoKα","","0.0915","0.0563","","","0.129","0.1535","","","","","","1.016","","","","has coordinates,has disorder","301842","2025-08-21","00:37:14",""
"4504424","26.78","0.001","8.5173","0.0004","29.317","0.001","90","","90","","90","","6687","0.5","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C43 H40 O5 -","- C43 H40 O5 -","- C344 H320 O40 -","8","1","","Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Dalgarno, Scott J.; Atwood, Jerry L.; Raston, Colin L.","Structural Diversity of Methyl-Substituted Inclusion Complexes of Calix[5]arene","Crystal Growth & Design","2007","7","10","2059","","10.1021/cg0705658","","","0.71073","MoKα","","0.1476","0.0788","","","0.1776","0.2073","","","","","","1.004","","","","has coordinates,has disorder","301842","2025-08-21","00:37:14",""
"4504425","27.6777","0.0005","8.3899","0.0002","29.483","0.0007","90","","90","","90","","6846.3","0.3","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C44 H42 O5 -","- C44 H42 O5 -","- C352 H336 O40 -","8","1","","Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Dalgarno, Scott J.; Atwood, Jerry L.; Raston, Colin L.","Structural Diversity of Methyl-Substituted Inclusion Complexes of Calix[5]arene","Crystal Growth & Design","2007","7","10","2059","","10.1021/cg0705658","","","0.71073","MoKα","","0.1058","0.04","","","0.0646","0.0783","","","","","","1.004","","","","has coordinates,has disorder","179579","2020-10-21","18:00:00",""
"4504426","11.9659","0.0006","14.989","0.006","43.029","0.004","84.36","0.01","87.57","0.01","78.03","0.01","7511","3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C78 H70 O10 -","- C78 H70 O10 -","- C390 H350 O50 -","5","2.5","","Clark, Thomas E.; Makha, Mohamed; Sobolev, Alexandre N.; Dalgarno, Scott J.; Atwood, Jerry L.; Raston, Colin L.","Structural Diversity of Methyl-Substituted Inclusion Complexes of Calix[5]arene","Crystal Growth & Design","2007","7","10","2059","","10.1021/cg0705658","","","1.54178","CuKα","","0.1103","0.0424","","","0.0657","0.0747","","","","","","0.916","","","","has coordinates,has disorder","301842","2025-08-21","00:37:14",""
"4504427","13.8955","0.0014","9.4945","0.001","16.461","0.002","90","","92.421","0.009","90","","2169.8","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Cl N4 O2 Rh -","- C8 H6 Cl N4 O2 Rh -","- C64 H48 Cl8 N32 O16 Rh8 -","8","2","","Jakonen, Minna; Oresmaa, Larisa; Haukka, Matti","Solid-State Packing of the Square-Planar [RhI(H2bim)(CO)2]2[A] Complexes (H2bim = 2,2-biimidazole; [A] = 2[Cl], 2[RhICl2(CO)2], [FeIICl4], [CoIICl4])","Crystal Growth & Design","2007","7","12","2620","","10.1021/cg070577t","","","0.71073","MoKα","","0.0394","0.0246","","","0.0449","0.0488","","","","","","1.064","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504428","10.5835","0.0015","42.639","0.005","7.0497","0.0007","90","","107.101","0.01","90","","3040.7","0.7","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 Cl2 N4 O4 Rh2 -","- C10 H6 Cl2 N4 O4 Rh2 -","- C80 H48 Cl16 N32 O32 Rh16 -","8","2","","Jakonen, Minna; Oresmaa, Larisa; Haukka, Matti","Solid-State Packing of the Square-Planar [RhI(H2bim)(CO)2]2[A] Complexes (H2bim = 2,2-biimidazole; [A] = 2[Cl], 2[RhICl2(CO)2], [FeIICl4], [CoIICl4])","Crystal Growth & Design","2007","7","12","2620","","10.1021/cg070577t","","","0.71073","MoKα","","0.072","0.037","","","0.0577","0.065","","","","","","1.015","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504429","13.6176","0.0009","10.8665","0.0003","17.652","0.0009","90","","108.36","0.002","90","","2479.1","0.2","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cl4 Fe N8 O4 Rh2 -","- C16 H12 Cl4 Fe N8 O4 Rh2 -","- C64 H48 Cl16 Fe4 N32 O16 Rh8 -","4","1","","Jakonen, Minna; Oresmaa, Larisa; Haukka, Matti","Solid-State Packing of the Square-Planar [RhI(H2bim)(CO)2]2[A] Complexes (H2bim = 2,2-biimidazole; [A] = 2[Cl], 2[RhICl2(CO)2], [FeIICl4], [CoIICl4])","Crystal Growth & Design","2007","7","12","2620","","10.1021/cg070577t","","","0.71073","MoKα","","0.0707","0.0413","","","0.0814","0.09","","","","","","1.096","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504430","13.572","0.0004","10.8474","0.0004","17.6778","0.0004","90","","108.279","0.002","90","","2471.22","0.13","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cl4 Co N8 O4 Rh2 -","- C16 H12 Cl4 Co N8 O4 Rh2 -","- C64 H48 Cl16 Co4 N32 O16 Rh8 -","4","1","","Jakonen, Minna; Oresmaa, Larisa; Haukka, Matti","Solid-State Packing of the Square-Planar [RhI(H2bim)(CO)2]2[A] Complexes (H2bim = 2,2-biimidazole; [A] = 2[Cl], 2[RhICl2(CO)2], [FeIICl4], [CoIICl4])","Crystal Growth & Design","2007","7","12","2620","","10.1021/cg070577t","","","0.71073","MoKα","","0.058","0.041","","","0.0943","0.1005","","","","","","1.133","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504431","34.524","0.005","16.597","0.002","13.7907","0.0018","90","","99.763","0.002","90","","7787.6","1.8","187","2","187","2","","","","","","","","7","C 1 2 1","C 2y","5","Cu3 [C12H8N2]3 [C28H19S4O16] Cl[H2O]17.63","","","- C64 H78.25 Cl Cu3 N6 O33.63 S4 -","- C64 H43 Cl Cu3 N6 O33.668 S4 -","- C256 H172 Cl4 Cu12 N24 O134.672 S16 -","4","1","","Liu, Ce; Luo, Fang; Liao, Wuping; Li, Deqian; Wang, Xiaofei; Dronskowski, Richard","pH-Dependent Syntheses and Structures of Two Copper(II)/Phenanthroline/p-Sulfonatocalix[4]arene Supramolecular Compounds with 1D Water-Filled Channels","Crystal Growth & Design","2007","7","11","2282","","10.1021/cg070579d","","","0.71073","MoKα","","0.0859","0.0648","","","0.1627","0.1793","","","","","","1.032","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504432","12.5929","0.0009","14.6637","0.0011","18.4977","0.0014","72.48","0.001","70.664","0.001","79.622","0.001","3061.3","0.4","187","2","187","2","","","","","","","","6","P -1","-P 1","2","Cu2 [C12H8N2] [C28H20S4O16] [H2O]23.01","","","- C40 H74.02 Cu2 N2 O39.01 S4 -","- C40 H28 Cu2 N2 O39.02 S4 -","- C80 H56 Cu4 N4 O78.04 S8 -","2","1","","Liu, Ce; Luo, Fang; Liao, Wuping; Li, Deqian; Wang, Xiaofei; Dronskowski, Richard","pH-Dependent Syntheses and Structures of Two Copper(II)/Phenanthroline/p-Sulfonatocalix[4]arene Supramolecular Compounds with 1D Water-Filled Channels","Crystal Growth & Design","2007","7","11","2282","","10.1021/cg070579d","","","0.71073","MoKα","","0.0993","0.0762","","","0.2057","0.2187","","","","","","1.031","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504433","9.478","0.003","7.021","0.002","13.893","0.004","90","","107.49","0.04","90","","881.8","0.5","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","cytosinium diaquabis(oxalato)manganate(II)","","- C12 H16 Mn N6 O12 -","- C12 H16 Mn N6 O12 -","- C24 H32 Mn2 N12 O24 -","2","0.5","","García-Terán, Juan P.; Castillo, Oscar; Luque, Antonio; García-Couceiro, Urko; Beobide, Garikoitz; Román, Pascual","Molecular Recognition of Protonated Cytosine Ribbons by Metal–Oxalato Frameworks","Crystal Growth & Design","2007","7","12","2594","","10.1021/cg0705916","","","0.71073","MoKα","","0.0881","0.0473","","","0.1222","0.1268","","","","","","0.921","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504434","9.492","0.002","6.948","0.002","13.499","0.002","90","","107.14","0.02","90","","850.7","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","cytosinium diaquabis(oxalato)cobaltate(II)","","- C12 H16 Co N6 O12 -","- C12 H16 Co N6 O12 -","- C24 H32 Co2 N12 O24 -","2","0.5","","García-Terán, Juan P.; Castillo, Oscar; Luque, Antonio; García-Couceiro, Urko; Beobide, Garikoitz; Román, Pascual","Molecular Recognition of Protonated Cytosine Ribbons by Metal–Oxalato Frameworks","Crystal Growth & Design","2007","7","12","2594","","10.1021/cg0705916","","","0.71073","MoKα","","0.1026","0.0348","","","0.1388","0.1443","","","","","","0.92","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504435","9.55","0.001","6.967","0.001","13.767","0.003","90","","107.7","0.02","90","","872.6","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","cytosinium diaquabis(oxalato)cuprate(II)","","- C12 H16 Cu N6 O12 -","- C12 H16 Cu N6 O12 -","- C24 H32 Cu2 N12 O24 -","2","0.5","","García-Terán, Juan P.; Castillo, Oscar; Luque, Antonio; García-Couceiro, Urko; Beobide, Garikoitz; Román, Pascual","Molecular Recognition of Protonated Cytosine Ribbons by Metal–Oxalato Frameworks","Crystal Growth & Design","2007","7","12","2594","","10.1021/cg0705916","","","0.71073","MoKα","","0.0764","0.045","","","0.1005","0.1101","","","","","","0.904","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504436","9.528","0.002","6.962","0.001","13.565","0.002","90","","107.18","0.02","90","","859.7","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","cytosinium diaquabis(oxalato)zincate(II)","","- C12 H16 N6 O12 Zn -","- C12 H16 N6 O12 Zn -","- C24 H32 N12 O24 Zn2 -","2","0.5","","García-Terán, Juan P.; Castillo, Oscar; Luque, Antonio; García-Couceiro, Urko; Beobide, Garikoitz; Román, Pascual","Molecular Recognition of Protonated Cytosine Ribbons by Metal–Oxalato Frameworks","Crystal Growth & Design","2007","7","12","2594","","10.1021/cg0705916","","","0.71073","MoKα","","0.1134","0.0426","","","0.1156","0.1243","","","","","","0.978","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504437","10.392","0.008","11.996","0.009","14.882","0.011","90","","90.648","0.013","90","","1855","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 N3 O5 Zn -","- C20 H19 N3 O5 Zn -","- C80 H76 N12 O20 Zn4 -","4","1","","Braverman, Maxwell A.; LaDuca, Robert L.","Luminescent Two- and Three-Dimensional Zinc Coordination Polymers Containing Isomers of Phenylenediacetate and a Kinked Tethering Organodiimine","Crystal Growth & Design","2007","7","11","2343","","10.1021/cg070599f","","","0.71073","MoKα","","0.0691","0.0408","","","0.0836","0.0933","","","","","","1.028","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504438","18.673","0.0005","12.8309","0.0003","17.4384","0.0004","90","","109.707","0.001","90","","3933.38","0.17","173","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H38 N6 O10 Zn2 -","- C40 H38 N6 O10 Zn2 -","- C160 H152 N24 O40 Zn8 -","4","1","","Braverman, Maxwell A.; LaDuca, Robert L.","Luminescent Two- and Three-Dimensional Zinc Coordination Polymers Containing Isomers of Phenylenediacetate and a Kinked Tethering Organodiimine","Crystal Growth & Design","2007","7","11","2343","","10.1021/cg070599f","","","0.71073","MoKα","","0.0532","0.0367","","","0.0952","0.1057","","","","","","1.025","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504439","8.972","0.011","13.188","0.017","15.573","0.019","90","","90","","90","","1843","4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H17 N3 O4 Zn -","- C20 H17 N3 O4 Zn -","- C80 H68 N12 O16 Zn4 -","4","1","","Braverman, Maxwell A.; LaDuca, Robert L.","Luminescent Two- and Three-Dimensional Zinc Coordination Polymers Containing Isomers of Phenylenediacetate and a Kinked Tethering Organodiimine","Crystal Growth & Design","2007","7","11","2343","","10.1021/cg070599f","","","0.71073","MoKα","","0.104","0.0541","","","0.1001","0.1146","","","","","","1.042","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504440","14.8904","0.0012","28.226","0.002","9.9562","0.0009","90","","106.306","0.002","90","","4016.2","0.6","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H43 N4 Ni2 O17.5 -","- C36 H42 N4 Ni2 O17.5 -","- C144 H168 N16 Ni8 O70 -","4","1","","Hu, Sheng; Zhang, Jie-Peng; Li, Hao-Xiang; Tong, Ming-Liang; Chen, Xiao-Ming; Kitagawa, Susumu","A Dynamic Microporous Metal‒Organic Framework with BCT Zeolite Topology: Construction, Structure, and Adsorption Behavior","Crystal Growth & Design","2007","7","11","2286","","10.1021/cg070602v","","","0.71073","MoKα","","0.0807","0.069","","","0.1679","0.1746","","","","","","1.155","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504441","13.717","0.002","14.226","0.002","17.487","0.003","74.664","0.004","89.778","0.005","84.475","0.005","3274.8","0.9","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C59.5 H75.5 N3.5 O33 S4 -","- C59.5 H48 N3.5 O33 S4 -","- C119 H96 N7 O66 S8 -","2","1","","Liu, Yu; Chen, Kun; Guo, Dong-Sheng; Li, Qiang; Song, Hai-Bin","Comparable Inclusion and Aggregation Structures ofp-Sulfonatothiacalix[4]arene andp-Sulfonatocalix[4]arene upon Complexation with Quinoline Guests","Crystal Growth & Design","2007","7","12","2601","","10.1021/cg070607s","","","0.7107","MoKα","","0.0808","0.0656","","","0.1844","0.1986","","","","","","1.087","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504442","14.1505","0.0015","14.4629","0.0018","19.925","0.003","78.034","0.009","75.103","0.009","62.032","0.006","3462.5","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H61.5 N4 O26.75 S8 -","- C60.09 H44.08 N4.01 O26.51 S8 -","- C120.18 H88.16 N8.02 O53.02 S16 -","2","1","","Liu, Yu; Chen, Kun; Guo, Dong-Sheng; Li, Qiang; Song, Hai-Bin","Comparable Inclusion and Aggregation Structures ofp-Sulfonatothiacalix[4]arene andp-Sulfonatocalix[4]arene upon Complexation with Quinoline Guests","Crystal Growth & Design","2007","7","12","2601","","10.1021/cg070607s","","","0.7107","MoKα","","0.1103","0.0894","","","0.2488","0.2705","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504443","13.946","0.002","14.5569","0.0018","16.7522","0.0013","61.272","0.008","72.327","0.011","83.847","0.012","2838.5","0.7","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C46.5 H49 N2.5 O26.25 S8 -","- C46.5 H32 N2.5 O26.25 S8 -","- C93 H64 N5 O52.5 S16 -","2","1","","Liu, Yu; Chen, Kun; Guo, Dong-Sheng; Li, Qiang; Song, Hai-Bin","Comparable Inclusion and Aggregation Structures ofp-Sulfonatothiacalix[4]arene andp-Sulfonatocalix[4]arene upon Complexation with Quinoline Guests","Crystal Growth & Design","2007","7","12","2601","","10.1021/cg070607s","","","0.7107","MoKα","","0.079","0.0634","","","0.1895","0.2044","","","","","","1.062","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504444","12.3509","0.0018","13.869","0.002","16.973","0.003","69.059","0.002","76.398","0.002","82.312","0.002","2635.2","0.7","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H54 N2.5 O25 S4 -","- C39.75 H29 N2.5 O25 S4 -","- C79.5 H58 N5 O50 S8 -","2","1","","Liu, Yu; Chen, Kun; Guo, Dong-Sheng; Li, Qiang; Song, Hai-Bin","Comparable Inclusion and Aggregation Structures ofp-Sulfonatothiacalix[4]arene andp-Sulfonatocalix[4]arene upon Complexation with Quinoline Guests","Crystal Growth & Design","2007","7","12","2601","","10.1021/cg070607s","","","0.71073","MoKα","","0.1506","0.0913","","","0.2548","0.3142","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4504445","7.3433","0.0013","8.5921","0.0015","12.889","0.002","90","","90","","90","","813.2","0.2","293","2","293","2","","","","","","","","5","A m a 2","A 2 -2a","40","","","","- C6 H4 Cu2 N2 S2 -","- C6 H4 Cu2 N2 S2 -","- C24 H16 Cu8 N8 S8 -","4","0.5","","Wang, Jing; Zhang, Yue-Hua; Li, Hao-Xiang; Lin, Zhuo-Jia; Tong, Ming-Liang","Construction of Pyridinethiolate-Bridged 2D and 3D Coordination Networks of d10Metal Halides via Solvothermalin SituDisulfide Cleavage Reactions","Crystal Growth & Design","2007","7","11","2352","","10.1021/cg070622x","","","0.71073","MoKα","","0.0206","0.0204","","","0.0483","0.0484","","","","","","1.096","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504446","4.2314","0.0008","10.732","0.002","18.842","0.004","90","","91.697","0.004","90","","855.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H5 Ag2 Cl2 N S -","- C5 H5 Ag2 Cl2 N S -","- C20 H20 Ag8 Cl8 N4 S4 -","4","1","","Wang, Jing; Zhang, Yue-Hua; Li, Hao-Xiang; Lin, Zhuo-Jia; Tong, Ming-Liang","Construction of Pyridinethiolate-Bridged 2D and 3D Coordination Networks of d10Metal Halides via Solvothermalin SituDisulfide Cleavage Reactions","Crystal Growth & Design","2007","7","11","2352","","10.1021/cg070622x","","","0.71073","MoKα","","0.0618","0.0573","","","0.1298","0.133","","","","","","1.026","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504447","14.2925","0.0011","21.7939","0.0017","19.689","0.0016","90","","100.709","0.002","90","","6026.1","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H24 Cu15 N15 S15 -","- C39 H24 Cu15 N15 S15 -","- C156 H96 Cu60 N60 S60 -","4","0.5","","Wang, Jing; Zhang, Yue-Hua; Li, Hao-Xiang; Lin, Zhuo-Jia; Tong, Ming-Liang","Construction of Pyridinethiolate-Bridged 2D and 3D Coordination Networks of d10Metal Halides via Solvothermalin SituDisulfide Cleavage Reactions","Crystal Growth & Design","2007","7","11","2352","","10.1021/cg070622x","","","0.71073","MoKα","","0.0826","0.0549","","","0.1067","0.1184","","","","","","1.037","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504448","22.106","0.002","4.1222","0.0004","15.5059","0.0015","90","","97.947","0.002","90","","1399.4","0.2","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C5 H5 Cu4 I4 N S -","- C5 H5 Cu4 I4 N S -","- C20 H20 Cu16 I16 N4 S4 -","4","0.5","","Wang, Jing; Zhang, Yue-Hua; Li, Hao-Xiang; Lin, Zhuo-Jia; Tong, Ming-Liang","Construction of Pyridinethiolate-Bridged 2D and 3D Coordination Networks of d10Metal Halides via Solvothermalin SituDisulfide Cleavage Reactions","Crystal Growth & Design","2007","7","11","2352","","10.1021/cg070622x","","","0.71073","MoKα","","0.0732","0.0708","","","0.1937","0.1969","","","","","","1.051","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504449","16.022","0.003","4.0404","0.0007","25.154","0.004","90","","90","","90","","1628.4","0.5","293","2","293","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C10 H10 Ag3 Cl3 N2 S2 -","- C10 H10 Ag3 Cl3 N2 S2 -","- C40 H40 Ag12 Cl12 N8 S8 -","4","0.5","","Wang, Jing; Zhang, Yue-Hua; Li, Hao-Xiang; Lin, Zhuo-Jia; Tong, Ming-Liang","Construction of Pyridinethiolate-Bridged 2D and 3D Coordination Networks of d10Metal Halides via Solvothermalin SituDisulfide Cleavage Reactions","Crystal Growth & Design","2007","7","11","2352","","10.1021/cg070622x","","","0.71073","MoKα","","0.0705","0.0598","","","0.1396","0.1457","","","","","","1.116","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504450","8.7094","0.0007","13.8869","0.0013","19.5034","0.0017","90","","90","","90","","2358.9","0.4","293","2","293","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C20 H16 Mn N4 S6 -","- C20 H16 Mn N4 S6 -","- C80 H64 Mn4 N16 S24 -","4","0.5","","Fu, Ming-Lai; Guo, Guo-Cong; Liu, Xi; Zou, Jian-Ping; Xu, Gang; Huang, Jin-Shun","[Mn(2,2′-bipy)2S6]n: A Homochiral Hybrid of Manganese Polysulfido Compound with a One-Dimensional Mn-S6-Mn Helical Chain","Crystal Growth & Design","2007","7","12","2387","","10.1021/cg070637v","","","0.71073","MoKα","","0.0573","0.047","","","0.1282","0.1381","","","","","","0.912","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504451","12.402","0.003","5.1053","0.001","14.286","0.003","90","","109.84","0.03","90","","850.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C40 H48 N4 O4 -","2","0.5","","Rajput, Lalit; Singha, Subhankar; Biradha, Kumar","Comparative Structural Studies on Homologues of Amides and Reverse Amides: Unprecedented 4-fold Interpenetrated Quartz Network, New β-Sheet, and Two-Dimensional Layers","Crystal Growth & Design","2007","7","12","2788","","10.1021/cg0706417","","","0.71073","MoKα","","0.1217","0.0505","","","0.1216","0.1496","","","","","","1.016","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504452","7.737","0.0015","8.129","0.0016","10.546","0.002","90","","102.05","0.03","90","","648.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C28 H28 N8 O4 -","2","0.5","","Rajput, Lalit; Singha, Subhankar; Biradha, Kumar","Comparative Structural Studies on Homologues of Amides and Reverse Amides: Unprecedented 4-fold Interpenetrated Quartz Network, New β-Sheet, and Two-Dimensional Layers","Crystal Growth & Design","2007","7","12","2788","","10.1021/cg0706417","","","0.71073","MoKα","","0.0628","0.0461","","","0.117","0.139","","","","","","1","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504453","9.484","0.0019","7.772","0.0016","10.702","0.002","90","","108.21","0.03","90","","749.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N4 O2 -","- C16 H18 N4 O2 -","- C32 H36 N8 O4 -","2","0.5","","Rajput, Lalit; Singha, Subhankar; Biradha, Kumar","Comparative Structural Studies on Homologues of Amides and Reverse Amides: Unprecedented 4-fold Interpenetrated Quartz Network, New β-Sheet, and Two-Dimensional Layers","Crystal Growth & Design","2007","7","12","2788","","10.1021/cg0706417","","","0.71073","MoKα","","0.0664","0.0437","","","0.1149","0.145","","","","","","1.004","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504454","8.2247","0.0016","9.6843","0.0019","21.939","0.004","96","0.03","96.18","0.03","105.83","0.03","1655","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N4 O2 -","- C18 H22 N4 O2 -","- C72 H88 N16 O8 -","4","2","","Rajput, Lalit; Singha, Subhankar; Biradha, Kumar","Comparative Structural Studies on Homologues of Amides and Reverse Amides: Unprecedented 4-fold Interpenetrated Quartz Network, New β-Sheet, and Two-Dimensional Layers","Crystal Growth & Design","2007","7","12","2788","","10.1021/cg0706417","","","0.71073","MoKα","","0.1783","0.056","","","0.1132","0.1479","","","","","","0.971","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504455","4.8241","0.001","8.2326","0.0016","24.212","0.005","93.71","0.03","95.14","0.03","105.71","0.03","918","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 N4 O2 -","- C20 H26 N4 O2 -","- C40 H52 N8 O4 -","2","1","","Rajput, Lalit; Singha, Subhankar; Biradha, Kumar","Comparative Structural Studies on Homologues of Amides and Reverse Amides: Unprecedented 4-fold Interpenetrated Quartz Network, New β-Sheet, and Two-Dimensional Layers","Crystal Growth & Design","2007","7","12","2788","","10.1021/cg0706417","","","0.71073","MoKα","","0.1536","0.0623","","","0.1755","0.2067","","","","","","1.128","","","","has coordinates,has disorder","301842","2025-08-21","00:37:14",""
"4504456","5.255","0.0011","21.051","0.004","6.815","0.0014","90","","106.62","0.03","90","","722.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C36 H28 N8 O4 -","2","0.5","","Rajput, Lalit; Singha, Subhankar; Biradha, Kumar","Comparative Structural Studies on Homologues of Amides and Reverse Amides: Unprecedented 4-fold Interpenetrated Quartz Network, New β-Sheet, and Two-Dimensional Layers","Crystal Growth & Design","2007","7","12","2788","","10.1021/cg0706417","","","0.71073","MoKα","","0.1207","0.0683","","","0.1402","0.1838","","","","","","1.05","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504457","6.9253","0.0014","16.063","0.003","6.8924","0.0014","90","","107.39","0.03","90","","731.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N4 O4 -","- C14 H14 N4 O4 -","- C28 H28 N8 O8 -","2","0.5","","Rajput, Lalit; Singha, Subhankar; Biradha, Kumar","Comparative Structural Studies on Homologues of Amides and Reverse Amides: Unprecedented 4-fold Interpenetrated Quartz Network, New β-Sheet, and Two-Dimensional Layers","Crystal Growth & Design","2007","7","12","2788","","10.1021/cg0706417","","","0.71073","MoKα","","0.0711","0.0547","","","0.1648","0.1764","","","","","","1.081","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504458","8.6286","0.0012","8.6286","0.0012","17.727","0.004","90","","90","","120","","1143","0.3","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C16 H18 N4 O2 -","- C16 H18 N4 O2 -","- C48 H54 N12 O6 -","3","0.5","","Rajput, Lalit; Singha, Subhankar; Biradha, Kumar","Comparative Structural Studies on Homologues of Amides and Reverse Amides: Unprecedented 4-fold Interpenetrated Quartz Network, New β-Sheet, and Two-Dimensional Layers","Crystal Growth & Design","2007","7","12","2788","","10.1021/cg0706417","","","0.71073","MoKα","","0.2048","0.0758","","","0.1653","0.2103","","","","","","1.037","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504459","11.694","0.002","11.655","0.002","15.421","0.003","90","","109.33","0.03","90","","1983.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H26 N4 O4 -","- C18 H22 N4 O4 -","- C72 H88 N16 O16 -","4","1","","Rajput, Lalit; Singha, Subhankar; Biradha, Kumar","Comparative Structural Studies on Homologues of Amides and Reverse Amides: Unprecedented 4-fold Interpenetrated Quartz Network, New β-Sheet, and Two-Dimensional Layers","Crystal Growth & Design","2007","7","12","2788","","10.1021/cg0706417","","","0.71073","MoKα","","0.1301","0.076","","","0.2697","0.3111","","","","","","1.051","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504460","11.378","0.002","16.38","0.003","22.925","0.005","90","","90","","90","","4272.6","1.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H30 N4 O4 -","- C20 H26 N4 O4 -","- C160 H208 N32 O32 -","8","1","","Rajput, Lalit; Singha, Subhankar; Biradha, Kumar","Comparative Structural Studies on Homologues of Amides and Reverse Amides: Unprecedented 4-fold Interpenetrated Quartz Network, New β-Sheet, and Two-Dimensional Layers","Crystal Growth & Design","2007","7","12","2788","","10.1021/cg0706417","","","0.71073","MoKα","","0.157","0.0725","","","0.1875","0.2319","","","","","","1.007","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504461","9.617","0.002","10.046","0.002","23.158","0.005","90","","98.59","0.004","90","","2212.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Co N4 O4 -","- C24 H24 Co N4 O4 -","- C96 H96 Co4 N16 O16 -","4","1","","Martin, David P.; Braverman, Maxwell A.; LaDuca, Robert L.","Two- and Three-Dimensional Divalent Metal Isophthalate Coordination Polymers Incorporating Flexible Bispyridylmethylpiperazine Tethers: Structure Direction through Coordination Geometry Preferences, Carboxylate Binding Mode, and Ligand Conformation","Crystal Growth & Design","2007","7","12","2609","","10.1021/cg700664u","","","0.71073","MoKα","","0.0311","0.027","","","0.0715","0.0738","","","","","","1.037","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504462","9.663","0.002","10.332","0.003","23.208","0.006","90","","100.398","0.004","90","","2279","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 Cd N4 O4 -","- C24 H24 Cd N4 O4 -","- C96 H96 Cd4 N16 O16 -","4","1","","Martin, David P.; Braverman, Maxwell A.; LaDuca, Robert L.","Two- and Three-Dimensional Divalent Metal Isophthalate Coordination Polymers Incorporating Flexible Bispyridylmethylpiperazine Tethers: Structure Direction through Coordination Geometry Preferences, Carboxylate Binding Mode, and Ligand Conformation","Crystal Growth & Design","2007","7","12","2609","","10.1021/cg700664u","","","0.71073","MoKα","","0.0633","0.0395","","","0.0764","0.0839","","","","","","1.017","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504463","9.3093","0.0018","25.642","0.005","10.235","0.002","90","","98.818","0.003","90","","2414.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N4 Ni O6 -","- C24 H28 N4 Ni O6 -","- C96 H112 N16 Ni4 O24 -","4","1","","Martin, David P.; Braverman, Maxwell A.; LaDuca, Robert L.","Two- and Three-Dimensional Divalent Metal Isophthalate Coordination Polymers Incorporating Flexible Bispyridylmethylpiperazine Tethers: Structure Direction through Coordination Geometry Preferences, Carboxylate Binding Mode, and Ligand Conformation","Crystal Growth & Design","2007","7","12","2609","","10.1021/cg700664u","","","0.71073","MoKα","","0.0623","0.0389","","","0.0838","0.0927","","","","","","1.011","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504464","15.982","0.005","15.038","0.004","20.859","0.006","90","","109.946","0.004","90","","4712","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 N4 O5 Zn -","- C24 H26 N4 O5 Zn -","- C192 H208 N32 O40 Zn8 -","8","1","","Martin, David P.; Braverman, Maxwell A.; LaDuca, Robert L.","Two- and Three-Dimensional Divalent Metal Isophthalate Coordination Polymers Incorporating Flexible Bispyridylmethylpiperazine Tethers: Structure Direction through Coordination Geometry Preferences, Carboxylate Binding Mode, and Ligand Conformation","Crystal Growth & Design","2007","7","12","2609","","10.1021/cg700664u","","","0.71073","MoKα","","0.0331","0.0267","","","0.0631","0.0657","","","","","","1.051","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504465","7.8538","0.0005","11.0219","0.0007","11.6693","0.0008","108.674","0.001","105.812","0.001","104.108","0.001","857.9","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 N O7 Pr -","- C15 H20 N O7 Pr -","- C30 H40 N2 O14 Pr2 -","2","1","","Lill, Daniel T. de; Cahill, Christopher L.","Synthesis and Characterization of a Praseodymium‒Adipate Framework Templated with 1,2-bis(4-Pyridyl)ethane: Host‒Guest Interactions and Structural Survey","Crystal Growth & Design","2007","7","12","2390","","10.1021/cg700741v","","","0.71073","MoKα","","0.0763","0.0502","","","0.0555","0.0611","","","","","","1.032","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504466","13.3613","0.0004","13.9821","0.0004","17.0305","0.0005","68.085","0.01","71.179","0.011","87.876","0.014","2781.3","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H122 N20 Ni8 O77 Si2 W18 -","- C30 H100 N20 Ni8 O77 Si2 W18 -","- C30 H100 N20 Ni8 O77 Si2 W18 -","1","0.5","","Zhao, Jun-Wei; Li, Bing; Zheng, Shou-Tian; Yang, Guo-Yu","Two-Dimensional Extended (4,4)-Topological Network Constructed from Tetra-NiII-Substituted Sandwich-Type Keggin Polyoxometalate Building Blocks and NiII-Organic Cation Bridges","Crystal Growth & Design","2007","7","12","2658","","10.1021/cg700783b","","","0.71073","MoKα","","0.1046","0.0742","","","0.1692","0.1939","","","","","","1.127","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504467","13.338","0.003","13.978","0.003","17.049","0.003","68.159","0.006","71.1","0.008","87.683","0.009","2779.7","1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H120 Ge2 N20 Ni8 O76 W18 -","- C30 H100 Ge2 N20 Ni8 O76 W18 -","- C30 H100 Ge2 N20 Ni8 O76 W18 -","1","0.5","","Zhao, Jun-Wei; Li, Bing; Zheng, Shou-Tian; Yang, Guo-Yu","Two-Dimensional Extended (4,4)-Topological Network Constructed from Tetra-NiII-Substituted Sandwich-Type Keggin Polyoxometalate Building Blocks and NiII-Organic Cation Bridges","Crystal Growth & Design","2007","7","12","2658","","10.1021/cg700783b","","","0.71073","MoKα","","0.0646","0.0499","","","0.1061","0.1167","","","","","","1.095","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504468","13.357","0.0019","13.997","0.002","17.129","0.002","67.468","0.004","71.986","0.005","88.698","0.006","2796.2","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H114 N20 Ni8 O74 P2 W18 -","- C30 H100 N20 Ni8 O74 P2 W18 -","- C30 H100 N20 Ni8 O74 P2 W18 -","1","0.5","","Zhao, Jun-Wei; Li, Bing; Zheng, Shou-Tian; Yang, Guo-Yu","Two-Dimensional Extended (4,4)-Topological Network Constructed from Tetra-NiII-Substituted Sandwich-Type Keggin Polyoxometalate Building Blocks and NiII-Organic Cation Bridges","Crystal Growth & Design","2007","7","12","2658","","10.1021/cg700783b","","","0.71073","MoKα","","0.0514","0.0462","","","0.1255","0.1279","","","","","","1.02","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504469","11.607","0.003","26.232","0.007","7.5531","0.0019","90","","95.686","0.004","90","","2288.4","1","105","","105","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 Cl2 Co N2 O14 Pt -","- C14 H11 Cl2 Co N2 O14 Pt -","- C56 H44 Cl8 Co4 N8 O56 Pt4 -","4","0.5","","Hafizović, Jasmina; Krivokapić, Alexander; Szeto, Kai C.; Jakobsen, Søren; Lillerud, Karl Petter; Olsbye, Unni; Tilset, Mats","Tailoring the Dimensionality of Metal‒Organic Frameworks Incorporating Pt and Pd. From Molecular Complexes to 3D Networks","Crystal Growth & Design","2007","7","11","2302","","10.1021/cg7008094","","","0.71073","MoKα","","0.0342","0.0207","","0.0401","0.0217","0.0217","","","","","","1.0355","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504470","7.6642","0.0011","10.7953","0.0015","13.982","0.002","71.459","0.002","85.22","0.002","86.616","0.002","1092.3","0.3","105","","105","","","","","","","","","7","P -1","-P 1","2","","","","- C14 H15 Ce Cl2 N2 O13.5 Pt -","- C14 H18 Ce Cl2 N2 O13.5 Pt -","- C28 H36 Ce2 Cl4 N4 O27 Pt2 -","2","1","","Hafizović, Jasmina; Krivokapić, Alexander; Szeto, Kai C.; Jakobsen, Søren; Lillerud, Karl Petter; Olsbye, Unni; Tilset, Mats","Tailoring the Dimensionality of Metal‒Organic Frameworks Incorporating Pt and Pd. From Molecular Complexes to 3D Networks","Crystal Growth & Design","2007","7","11","2302","","10.1021/cg7008094","","","0.71073","MoKα","","0.0206","0.0181","","0.0215","0.0204","0.0204","","","","","","0.9793","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504471","23.34","0.004","12.766","0.002","14.903","0.003","90","","90","","90","","4440.5","1.4","105","","105","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C32 H48 Cl2 N8 O14 Pt Zn2 -","- C32 H48 Cl2 N8 O14 Pt Zn2 -","- C128 H192 Cl8 N32 O56 Pt4 Zn8 -","4","1","","Hafizović, Jasmina; Krivokapić, Alexander; Szeto, Kai C.; Jakobsen, Søren; Lillerud, Karl Petter; Olsbye, Unni; Tilset, Mats","Tailoring the Dimensionality of Metal‒Organic Frameworks Incorporating Pt and Pd. From Molecular Complexes to 3D Networks","Crystal Growth & Design","2007","7","11","2302","","10.1021/cg7008094","","","0.71073","MoKα","","0.0507","0.0362","","0.0526","0.0393","0.0393","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504472","11.1428","0.0015","11.8561","0.0016","12.5867","0.0017","78.65","0.004","70.04","0.004","63.599","0.004","1397.9","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N8 O10 Se -","- C24 H34 N8 O10 Se -","- C48 H68 N16 O20 Se2 -","2","1","","Sansam, Benedict C. R.; Anderson, Kirsty M.; Steed, Jonathan W.","A Simple Strategy for Crystal Engineering Water Clusters","Crystal Growth & Design","2007","7","12","2649","","10.1021/cg700932s","","","0.71073","MoKα","","0.187","0.0776","","","0.1151","0.1453","","","","","","0.945","","","","has coordinates","301842","2025-08-21","00:37:14",""
"4504473","6.3084","0.0003","13.7082","0.0006","18.1822","0.0008","90","","99.075","0.002","90","","1552.66","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Co N8 O6 S2 -","- C32 H24 Co N8 O6 S2 -","- C64 H48 Co2 N16 O12 S4 -","2","0.5","","Jana, Atish Dipankar; Manna, Subal Chandra; Rosair, Georgina M.; Drew, Michael G. B.; Mostafa, Golam; Ray Chaudhuri, Nirmalendu","4,4‘-Dipyridyl-N,N‘-dioxide Complexes of Metal-Thiocyanate/Selenocyanate: π-Stacked Molecular Rods as Three-Dimensional Support for Two-Dimensional Polymeric Sheets and Intra/Interchain S···S Interaction Dependent Architecture of the (8) Synthon Driven Assembly of One-Dimensional Polymeric Chains","Crystal Growth & Design","2007","7","7","1365","","10.1021/cg060762r","","","0.71073","MoKα","","0.0409","0.0319","","","0.0871","0.0902","","","","","","1.102","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4504474","7.3668","0.0008","9.8897","0.0011","12.0087","0.0013","78.997","0.009","80.858","0.009","87.796","0.009","847.88","0.16","150","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Co N4 O5 Se2 -","- C12 H14 Co N4 O5 Se2 -","- C24 H28 Co2 N8 O10 Se4 -","2","1","","Jana, Atish Dipankar; Manna, Subal Chandra; Rosair, Georgina M.; Drew, Michael G. B.; Mostafa, Golam; Ray Chaudhuri, Nirmalendu","4,4‘-Dipyridyl-N,N‘-dioxide Complexes of Metal-Thiocyanate/Selenocyanate: π-Stacked Molecular Rods as Three-Dimensional Support for Two-Dimensional Polymeric Sheets and Intra/Interchain S···S Interaction Dependent Architecture of the (8) Synthon Driven Assembly of One-Dimensional Polymeric Chains","Crystal Growth & Design","2007","7","7","1365","","10.1021/cg060762r","","","0.71073","MoKα","","0.0759","0.0428","","","0.0962","0.1006","","","","","","0.878","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4504475","7.2846","0.0009","9.82","0.002","12.0205","0.0016","77.731","0.015","80.242","0.01","88.515","0.014","828","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Co N4 O5 S2 -","- C12 H14 Co N4 O5 S2 -","- C24 H28 Co2 N8 O10 S4 -","2","1","","Jana, Atish Dipankar; Manna, Subal Chandra; Rosair, Georgina M.; Drew, Michael G. B.; Mostafa, Golam; Ray Chaudhuri, Nirmalendu","4,4‘-Dipyridyl-N,N‘-dioxide Complexes of Metal-Thiocyanate/Selenocyanate: π-Stacked Molecular Rods as Three-Dimensional Support for Two-Dimensional Polymeric Sheets and Intra/Interchain S···S Interaction Dependent Architecture of the (8) Synthon Driven Assembly of One-Dimensional Polymeric Chains","Crystal Growth & Design","2007","7","7","1365","","10.1021/cg060762r","","","0.71073","MoKα","","0.1116","0.0809","","","0.2521","0.263","","","","","","1.08","","","","has coordinates","179579","2020-10-21","18:00:00",""
"4507439","10.5325","0.0002","6.4306","0.0001","10.173","0.0002","90","","100.212","0.001","90","","678.11","0.02","223","2","223","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cu2 Nb8 O21 -","- Cu2 Nb8 O21 -","- Cu4 Nb16 O42 -","2","0.25","","Choi, Jonglak; King, Nacole; Maggard, Paul A.","Metastable cu(i)-niobate semiconductor with a low-temperature, nanoparticle-mediated synthesis.","ACS nano","2013","7","2","1699","1708","10.1021/nn305707f","","","0.71073","MoKα","","0.0507","0.0357","","","0.0693","0.0738","","","","","","1.009","","","","has coordinates","179610","2020-10-21","18:00:00",""
"4508120","20.8562","0.0017","10.5301","0.0009","10.838","0.0009","90","","107.806","0.0012","90","","2266.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","cis,cis,trans-diamminedichlorobis(dichloroactetato)platinum(IV) bis(dimethylformamide) solvate","","- C10 H22 Cl6 N4 O6 Pt -","- C10 H22 Cl6 N4 O6 Pt -","- C40 H88 Cl24 N16 O24 Pt4 -","4","0.5","","Johnstone, Timothy C.; Kulak, Nora; Pridgen, Eric M.; Farokhzad, Omid C.; Langer, Robert; Lippard, Stephen J.","Nanoparticle encapsulation of mitaplatin and the effect thereof on in vivo properties.","ACS nano","2013","7","7","5675","5683","10.1021/nn401905g","","","0.71073","MoKα","","0.037","0.0341","","","0.0835","0.0856","","","","","","1.046","","","","has coordinates,has disorder","179617","2020-10-21","18:00:00",""
"4508121","9.6269","0.0006","10.3718","0.0006","12.0448","0.0008","93.342","0.001","104.495","0.001","111.623","0.001","1067.19","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C8 H20 Cl6 N2 O6 Pt S2 -","- C8 H20 Cl6 N2 O6 Pt S2 -","- C16 H40 Cl12 N4 O12 Pt2 S4 -","2","1","","Johnstone, Timothy C.; Kulak, Nora; Pridgen, Eric M.; Farokhzad, Omid C.; Langer, Robert; Lippard, Stephen J.","Nanoparticle encapsulation of mitaplatin and the effect thereof on in vivo properties.","ACS nano","2013","7","7","5675","5683","10.1021/nn401905g","","","0.71073","MoKα","","0.0162","0.0161","","","0.0558","0.0559","","","","","","1.208","","","","has coordinates","179617","2020-10-21","18:00:00",""
"4508382","22.1965","0.0013","5.7331","0.0003","7.9786","0.0005","90","","91.105","0.004","90","","1015.13","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","HT-210-94","zuckermann19","","- C26 H27 N2 O2 -","- C26 H27 N2 O2 -","- C52 H54 N4 O4 -","2","0.5","","Olivier, Gloria K.; Cho, Andrew; Sanii, Babak; Connolly, Michael D.; Tran, Helen; Zuckermann, Ronald N.","Antibody-mimetic peptoid nanosheets for molecular recognition.","ACS nano","2013","7","10","9276","9286","10.1021/nn403899y","","","1.54178","CuKα","","0.1246","0.1161","","","0.2713","0.2746","","","","","","1.193","","","","has coordinates,has disorder","204147","2020-10-21","18:00:00",""
"4508612","34.197","0.006","7.1577","0.0011","14.052","0.002","90","","90","","90","","3439.5","0.9","173","2","173","2","","","","","","","","3","C m c a","-C 2ac 2","64","11199Z","","","- C46 H30 F6 -","- C46 H30 F6 -","- C184 H120 F24 -","4","","","Xie, Wei; Prabhumirashi, Pradyumna L.; Nakayama, Yasuo; McGarry, Kathryn A.; Geier, Michael L.; Uragami, Yuki; Mase, Kazuhiko; Douglas, Christopher J.; Ishii, Hisao; Hersam, Mark C.; Frisbie, C. Daniel","Utilizing Carbon Nanotube Electrodes to Improve Charge Injection and Transport in Bis(trifluoromethyl)-dimethyl-rubrene Ambipolar Single Crystal Transistors.","ACS nano","2013","7","11","10245","10256","10.1021/nn4045694","","","0.71073","MoKα","","0.0915","0.0527","","","0.1331","0.156","","","","","","1.031","","","","has coordinates","179622","2020-10-21","18:00:00",""
"4510604","23.9162","0.0007","16.8152","0.0006","15.658","0.0006","90","","92.811","0.001","90","","6289.4","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H38 Cl2 N2 O4 -","- C33 H38 Cl2 N2 O4 -","- C264 H304 Cl16 N16 O32 -","8","1","","Tisserant, Jean-Nicolas; Wicht, Gaëtan; Göbel, Ole F; Bocek, Eva; Bona, Gian-Luca; Geiger, Thomas; Hany, Roland; Mezzenga, Raffaele; Partel, Stefan; Schmid, Peter; Schweizer, Wolfhard Bernd; Heier, Jakob","Growth and alignment of thin film organic single crystals from dewetting patterns.","ACS nano","2013","7","6","5506","5513","10.1021/nn401679s","","","0.71073","MoKα","","0.106","0.0733","","","0.2063","0.2259","","","","","","1.466","","","","has coordinates,has disorder","301843","2025-08-21","01:58:36",""
"4511303","13.9599","0.0006","14.1007","0.0005","10.4394","0.0003","90","","116.581","0.003","90","","1837.74","0.12","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Salicyaldehyde Thiosemicarbazone","","","- C8 H9 N3 O S -","- C8 H9 N3 O S -","- C64 H72 N24 O8 S8 -","8","1","","Novaković, Sladjana B.; Fraisse, Bernard; Bogdanović, Goran A.; Spasojević-de Biré, Anne","Experimental Charge Density Evidence for the Existence of High Polarizability of the Electron Density of the Free Electron Pairs on the Sulfur Atom of the Thioureido Group, NH−C(S)−NH2, Induced by N−H···S and C−H···S Interactions","Crystal Growth & Design","2007","7","2","191","","10.1021/cg060497+","","","0.71073","MoKα","","0.0401","0.0401","","","0.1157","0.1157","","","","","","1.062","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511305","9.8402","0.0016","10.1297","0.0016","10.5669","0.0017","117.517","0.002","95.8","0.002","99.945","0.002","900.2","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N2 O2 S -","- C20 H18 N2 O2 S -","- C40 H36 N4 O4 S2 -","2","1","","Roy, Saikat; Nangia, Ashwini","Kinetic and Thermodynamic Conformational Polymorphs of Bis(p-tolyl) Ketonep-Tosylhydrazone: The Curtin−Hammett Principle in Crystallization","Crystal Growth & Design","2007","7","10","2047","","10.1021/cg070542t","","","0.71073","MoKα","","0.0617","0.0524","","","0.132","0.1392","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511306","8.0184","0.0008","11.9872","0.0012","13.5855","0.0013","112.826","0.002","106.592","0.002","93.964","0.002","1129.26","0.19","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H19 Br2 N2 O2 S -","- C23 H19 Br2 N2 O2 S -","- C46 H38 Br4 N4 O4 S2 -","2","1","","Roy, Saikat; Nangia, Ashwini","Kinetic and Thermodynamic Conformational Polymorphs of Bis(p-tolyl) Ketonep-Tosylhydrazone: The Curtin−Hammett Principle in Crystallization","Crystal Growth & Design","2007","7","10","2047","","10.1021/cg070542t","","","0.71073","MoKα","","0.0631","0.0391","","","0.0899","0.0998","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511307","22.0093","0.0013","11.9763","0.0007","15.1853","0.0009","90","","100.937","0.001","90","","3930","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 N2 O2 S -","- C22 H22 N2 O2 S -","- C176 H176 N16 O16 S8 -","8","1","","Roy, Saikat; Nangia, Ashwini","Kinetic and Thermodynamic Conformational Polymorphs of Bis(p-tolyl) Ketonep-Tosylhydrazone: The Curtin−Hammett Principle in Crystallization","Crystal Growth & Design","2007","7","10","2047","","10.1021/cg070542t","","","0.71073","MoKα","","0.0435","0.0408","","","0.1047","0.1066","","","","","","1.072","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511308","11.4666","0.0007","15.5694","0.0009","22.2113","0.0013","90","","90","","90","","3965.3","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H16 Br2 N2 O2 S -","- C20 H16 Br2 N2 O2 S -","- C160 H128 Br16 N16 O16 S8 -","8","1","","Roy, Saikat; Nangia, Ashwini","Kinetic and Thermodynamic Conformational Polymorphs of Bis(p-tolyl) Ketonep-Tosylhydrazone: The Curtin−Hammett Principle in Crystallization","Crystal Growth & Design","2007","7","10","2047","","10.1021/cg070542t","","","0.71073","MoKα","","0.0344","0.0241","","","0.0589","0.064","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511309","22.25","0.003","12.1201","0.0015","15.2891","0.0019","90","","100.538","0.002","90","","4053.5","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 N2 O2 S -","- C22 H22 N2 O2 S -","- C176 H176 N16 O16 S8 -","8","1","","Roy, Saikat; Nangia, Ashwini","Kinetic and Thermodynamic Conformational Polymorphs of Bis(p-tolyl) Ketonep-Tosylhydrazone: The Curtin−Hammett Principle in Crystallization","Crystal Growth & Design","2007","7","10","2047","","10.1021/cg070542t","","","0.71073","MoKα","","0.0715","0.0501","","","0.1307","0.1432","","","","","","1.037","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511310","12.3523","0.0016","9.2366","0.0012","16.492","0.002","90","","103.942","0.002","90","","1826.2","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 F2 N2 O2 S -","- C20 H16 F2 N2 O2 S -","- C80 H64 F8 N8 O8 S4 -","4","1","","Roy, Saikat; Nangia, Ashwini","Kinetic and Thermodynamic Conformational Polymorphs of Bis(p-tolyl) Ketonep-Tosylhydrazone: The Curtin−Hammett Principle in Crystallization","Crystal Growth & Design","2007","7","10","2047","","10.1021/cg070542t","","","0.71073","MoKα","","0.0397","0.0334","","","0.0855","0.0901","","","","","","1.048","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511311","7.9816","0.0016","11.793","0.002","13.501","0.003","112.409","0.003","106.616","0.003","93.815","0.003","1103.5","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H19 Cl2 N2 O2 S -","- C23 H19 Cl2 N2 O2 S -","- C46 H38 Cl4 N4 O4 S2 -","2","1","","Roy, Saikat; Nangia, Ashwini","Kinetic and Thermodynamic Conformational Polymorphs of Bis(p-tolyl) Ketonep-Tosylhydrazone: The Curtin−Hammett Principle in Crystallization","Crystal Growth & Design","2007","7","10","2047","","10.1021/cg070542t","","","0.71073","MoKα","","0.0524","0.0418","","","0.108","0.1164","","","","","","1.023","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511312","42.043","0.008","8.0381","0.0016","12.345","0.003","90","","104.08","0.03","90","","4046.6","1.6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 N2 O2 S -","- C22 H22 N2 O2 S -","- C176 H176 N16 O16 S8 -","8","1","","Roy, Saikat; Nangia, Ashwini","Kinetic and Thermodynamic Conformational Polymorphs of Bis(p-tolyl) Ketonep-Tosylhydrazone: The Curtin−Hammett Principle in Crystallization","Crystal Growth & Design","2007","7","10","2047","","10.1021/cg070542t","","","0.71073","MoKα","","0.1839","0.0724","","","0.1405","0.1903","","","","","","0.95","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511313","8.2971","0.0005","39.758","0.003","5.9349","0.0004","90","","97.294","0.001","90","","1941.9","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O2 S -","- C22 H22 N2 O2 S -","- C88 H88 N8 O8 S4 -","4","1","","Roy, Saikat; Nangia, Ashwini","Kinetic and Thermodynamic Conformational Polymorphs of Bis(p-tolyl) Ketonep-Tosylhydrazone: The Curtin−Hammett Principle in Crystallization","Crystal Growth & Design","2007","7","10","2047","","10.1021/cg070542t","","","0.71073","MoKα","","0.052","0.0464","","","0.1128","0.116","","","","","","1.135","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511314","22.4996","0.0017","11.4602","0.0007","15.431","0.0009","90","","102.552","0.002","90","","3883.8","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cl2 N2 O2 S -","- C20 H16 Cl2 N2 O2 S -","- C160 H128 Cl16 N16 O16 S8 -","8","1","","Roy, Saikat; Nangia, Ashwini","Kinetic and Thermodynamic Conformational Polymorphs of Bis(p-tolyl) Ketonep-Tosylhydrazone: The Curtin−Hammett Principle in Crystallization","Crystal Growth & Design","2007","7","10","2047","","10.1021/cg070542t","","","0.71073","MoKα","","0.0329","0.0317","","","0.0833","0.0842","","","","","","1.057","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511315","7.9174","0.0018","11.701","0.003","13.248","0.003","111.862","0.004","107.198","0.004","93.619","0.004","1067.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22.5 H23 Cl N2 O2 S -","- C22.5 H23 Cl N2 O2 S -","- C45 H46 Cl2 N4 O4 S2 -","2","1","","Roy, Saikat; Nangia, Ashwini","Kinetic and Thermodynamic Conformational Polymorphs of Bis(p-tolyl) Ketonep-Tosylhydrazone: The Curtin−Hammett Principle in Crystallization","Crystal Growth & Design","2007","7","10","2047","","10.1021/cg070542t","","","0.71073","MoKα","","0.0702","0.0579","","","0.1385","0.1462","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4511316","14.426","0.006","6.808","0.002","16.712","0.008","90","","99.429","0.016","90","","1619.1","1.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C64 H60 N12 O32 -","4","1","","Parkin, Andrew; Seaton, Colin C.; Blagden, Nicholas; Wilson, Chick C.","Designing Hydrogen Bonds with Temperature-Dependent Proton Disorder: The Effect of Crystal Environment","Crystal Growth & Design","2007","7","3","531","","10.1021/cg060777p","","","0.71073","MoKα","","0.0869","0.0472","","0.1121","0.1008","0.1121","","","","","","0.8269","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511317","14.473","0.006","6.872","0.002","16.755","0.007","90","","99.721","0.017","90","","1642.5","1.1","160","","160","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C64 H60 N12 O32 -","4","1","","Parkin, Andrew; Seaton, Colin C.; Blagden, Nicholas; Wilson, Chick C.","Designing Hydrogen Bonds with Temperature-Dependent Proton Disorder: The Effect of Crystal Environment","Crystal Growth & Design","2007","7","3","531","","10.1021/cg060777p","","","0.71073","MoKα","","0.0783","0.0443","","0.1234","0.1156","0.1234","","","","","","0.8367","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511318","14.432","0.006","6.873","0.003","16.709","0.007","90","","99.656","0.018","90","","1633.9","1.2","175","","175","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C64 H60 N12 O32 -","4","1","","Parkin, Andrew; Seaton, Colin C.; Blagden, Nicholas; Wilson, Chick C.","Designing Hydrogen Bonds with Temperature-Dependent Proton Disorder: The Effect of Crystal Environment","Crystal Growth & Design","2007","7","3","531","","10.1021/cg060777p","","","0.71073","MoKα","","0.0926","0.0439","","0.1083","0.0992","0.1083","","","","","","0.8074","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511319","14.471","0.004","6.893","0.002","16.805","0.007","90","","99.64","0.013","90","","1652.6","1","190","","190","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C64 H60 N12 O32 -","4","1","","Parkin, Andrew; Seaton, Colin C.; Blagden, Nicholas; Wilson, Chick C.","Designing Hydrogen Bonds with Temperature-Dependent Proton Disorder: The Effect of Crystal Environment","Crystal Growth & Design","2007","7","3","531","","10.1021/cg060777p","","","0.71073","MoKα","","0.0849","0.041","","0.1154","0.1068","0.1154","","","","","","0.8002","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511320","14.46","0.005","6.9","0.002","16.821","0.005","90","","99.628","0.013","90","","1654.7","0.9","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C64 H60 N12 O32 -","4","1","","Parkin, Andrew; Seaton, Colin C.; Blagden, Nicholas; Wilson, Chick C.","Designing Hydrogen Bonds with Temperature-Dependent Proton Disorder: The Effect of Crystal Environment","Crystal Growth & Design","2007","7","3","531","","10.1021/cg060777p","","","0.71073","MoKα","","0.0719","0.04","","0.1042","0.0975","0.1042","","","","","","0.8294","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511321","14.491","0.005","6.912","0.0016","16.848","0.005","90","","99.631","0.012","90","","1663.7","0.9","210","","210","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C64 H60 N12 O32 -","4","1","","Parkin, Andrew; Seaton, Colin C.; Blagden, Nicholas; Wilson, Chick C.","Designing Hydrogen Bonds with Temperature-Dependent Proton Disorder: The Effect of Crystal Environment","Crystal Growth & Design","2007","7","3","531","","10.1021/cg060777p","","","0.71073","MoKα","","0.0776","0.0387","","0.0994","0.0931","0.0994","","","","","","0.7576","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511322","14.46","0.008","6.921","0.003","16.875","0.007","90","","99.644","0.016","90","","1664.9","1.4","225","","225","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C64 H60 N12 O32 -","4","1","","Parkin, Andrew; Seaton, Colin C.; Blagden, Nicholas; Wilson, Chick C.","Designing Hydrogen Bonds with Temperature-Dependent Proton Disorder: The Effect of Crystal Environment","Crystal Growth & Design","2007","7","3","531","","10.1021/cg060777p","","","0.71073","MoKα","","0.1017","0.0425","","0.1098","0.0968","0.1098","","","","","","0.7875","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511323","14.457","0.006","6.943","0.002","16.878","0.006","90","","99.648","0.015","90","","1670.2","1","250","","250","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C64 H60 N12 O32 -","4","1","","Parkin, Andrew; Seaton, Colin C.; Blagden, Nicholas; Wilson, Chick C.","Designing Hydrogen Bonds with Temperature-Dependent Proton Disorder: The Effect of Crystal Environment","Crystal Growth & Design","2007","7","3","531","","10.1021/cg060777p","","","0.71073","MoKα","","0.0836","0.0406","","0.1056","0.0964","0.1056","","","","","","0.7955","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511324","14.469","0.006","6.995","0.002","16.938","0.006","90","","99.715","0.015","90","","1689.7","1","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O8 -","- C16 H15 N3 O8 -","- C64 H60 N12 O32 -","4","1","","Parkin, Andrew; Seaton, Colin C.; Blagden, Nicholas; Wilson, Chick C.","Designing Hydrogen Bonds with Temperature-Dependent Proton Disorder: The Effect of Crystal Environment","Crystal Growth & Design","2007","7","3","531","","10.1021/cg060777p","","","0.71073","MoKα","","0.0803","0.0388","","0.1036","0.0943","0.1036","","","","","","0.7691","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511325","6.605","0.004","7.872","0.005","8.47","0.007","87.15","0.03","84.31","0.03","67.09","0.02","403.6","0.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C18 H22 N2 O4 -","2","1","","Parkin, Andrew; Seaton, Colin C.; Blagden, Nicholas; Wilson, Chick C.","Designing Hydrogen Bonds with Temperature-Dependent Proton Disorder: The Effect of Crystal Environment","Crystal Growth & Design","2007","7","3","531","","10.1021/cg060777p","","","0.71073","MoKα","","0.0757","0.0536","","0.162","0.152","0.162","","","","","","0.9533","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511326","6.619","0.005","7.963","0.005","8.543","0.007","88.12","0.03","84.75","0.03","66.7","0.03","411.8","0.5","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C18 H22 N2 O4 -","2","1","","Parkin, Andrew; Seaton, Colin C.; Blagden, Nicholas; Wilson, Chick C.","Designing Hydrogen Bonds with Temperature-Dependent Proton Disorder: The Effect of Crystal Environment","Crystal Growth & Design","2007","7","3","531","","10.1021/cg060777p","","","0.71073","MoKα","","0.0818","0.0548","","0.17","0.1584","0.17","","","","","","0.9179","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511327","6.648","0.007","8.056","0.012","8.631","0.01","89.06","0.05","85.29","0.04","66.2","0.05","421.4","0.9","300","","300","","","","","","","","","4","P -1","-P 1","2","","","","- C9 H11 N O2 -","- C9 H11 N O2 -","- C18 H22 N2 O4 -","2","1","","Parkin, Andrew; Seaton, Colin C.; Blagden, Nicholas; Wilson, Chick C.","Designing Hydrogen Bonds with Temperature-Dependent Proton Disorder: The Effect of Crystal Environment","Crystal Growth & Design","2007","7","3","531","","10.1021/cg060777p","","","0.71073","MoKα","","0.0897","0.0523","","0.1525","0.1379","0.1525","","","","","","0.8745","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511329","4.315","0.003","19.046","0.011","5.83","0.003","90","","94.72","0.009","90","","477.5","0.5","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C20 H18 N6 O4 -","2","1","","Zhao, Xia-Xia; Ma, Jian-Ping; Dong, Yu-Bin; Huang, Ru-Qi; Lai, Tianshu","Construction of Metal−Organic Frameworks (M = Cd(II), Co(II), Zn(II), and Cu(II)) Based on Semirigid Oxadiazole Bridging Ligands by Solution and Hydrothermal Reactions","Crystal Growth & Design","2007","7","6","1058","","10.1021/cg060583+","","","0.71073","MoKα","","0.0755","0.0598","","","0.1444","0.153","","","","","","0.997","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511330","7.8585","0.0016","8.6387","0.0018","17.281","0.004","78.394","0.003","83.515","0.003","65.892","0.003","1048.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H16 Cd0.5 N9 O4 -","- C20 H16 Cd0.5 N9 O4 -","- C40 H32 Cd N18 O8 -","2","1","","Zhao, Xia-Xia; Ma, Jian-Ping; Dong, Yu-Bin; Huang, Ru-Qi; Lai, Tianshu","Construction of Metal−Organic Frameworks (M = Cd(II), Co(II), Zn(II), and Cu(II)) Based on Semirigid Oxadiazole Bridging Ligands by Solution and Hydrothermal Reactions","Crystal Growth & Design","2007","7","6","1058","","10.1021/cg060583+","","","0.71073","MoKα","","0.0676","0.0577","","","0.1355","0.1425","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511331","7.913","0.002","8.575","0.002","17.175","0.005","77.358","0.005","81.104","0.005","65.633","0.005","1033.1","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H32 Cu N18 O8 -","- C40 H32 Cu N18 O8 -","- C40 H32 Cu N18 O8 -","1","0.5","","Zhao, Xia-Xia; Ma, Jian-Ping; Dong, Yu-Bin; Huang, Ru-Qi; Lai, Tianshu","Construction of Metal−Organic Frameworks (M = Cd(II), Co(II), Zn(II), and Cu(II)) Based on Semirigid Oxadiazole Bridging Ligands by Solution and Hydrothermal Reactions","Crystal Growth & Design","2007","7","6","1058","","10.1021/cg060583+","","","0.71073","MoKα","","0.1913","0.0966","","","0.1921","0.2346","","","","","","0.983","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511332","7.853","0.002","8.349","0.003","17.153","0.005","76.715","0.005","78.033","0.005","68.386","0.005","1008.2","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H36 Cl2 Cu N16 O4 -","- C40 H36 Cl2 Cu N16 O4 -","- C40 H36 Cl2 Cu N16 O4 -","1","0.5","","Zhao, Xia-Xia; Ma, Jian-Ping; Dong, Yu-Bin; Huang, Ru-Qi; Lai, Tianshu","Construction of Metal−Organic Frameworks (M = Cd(II), Co(II), Zn(II), and Cu(II)) Based on Semirigid Oxadiazole Bridging Ligands by Solution and Hydrothermal Reactions","Crystal Growth & Design","2007","7","6","1058","","10.1021/cg060583+","","","0.71073","MoKα","","0.1145","0.0744","","","0.1509","0.1782","","","","","","1.007","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511333","10.015","0.003","16.303","0.005","5.9874","0.0017","90","","90","","90","","977.6","0.5","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H16 Co N6 O4 -","- C20 H16 Co N6 O4 -","- C40 H32 Co2 N12 O8 -","2","0.5","","Zhao, Xia-Xia; Ma, Jian-Ping; Dong, Yu-Bin; Huang, Ru-Qi; Lai, Tianshu","Construction of Metal−Organic Frameworks (M = Cd(II), Co(II), Zn(II), and Cu(II)) Based on Semirigid Oxadiazole Bridging Ligands by Solution and Hydrothermal Reactions","Crystal Growth & Design","2007","7","6","1058","","10.1021/cg060583+","","","0.71073","MoKα","","0.0306","0.0295","","","0.0914","0.0921","","","","","","1","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511334","10.0177","0.0014","16.292","0.002","5.9802","0.0009","90","","90","","90","","976","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H16 N6 O4 Zn -","- C20 H16 N6 O4 Zn -","- C40 H32 N12 O8 Zn2 -","2","0.5","","Zhao, Xia-Xia; Ma, Jian-Ping; Dong, Yu-Bin; Huang, Ru-Qi; Lai, Tianshu","Construction of Metal−Organic Frameworks (M = Cd(II), Co(II), Zn(II), and Cu(II)) Based on Semirigid Oxadiazole Bridging Ligands by Solution and Hydrothermal Reactions","Crystal Growth & Design","2007","7","6","1058","","10.1021/cg060583+","","","0.71073","MoKα","","0.0248","0.0244","","","0.0622","0.0624","","","","","","1.085","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511335","23.024","0.018","10.095","0.008","8.741","0.007","90","","103.054","0.01","90","","1979","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Co N6 O5 -","- C20 H18 Co N6 O5 -","- C80 H72 Co4 N24 O20 -","4","0.5","","Zhao, Xia-Xia; Ma, Jian-Ping; Dong, Yu-Bin; Huang, Ru-Qi; Lai, Tianshu","Construction of Metal−Organic Frameworks (M = Cd(II), Co(II), Zn(II), and Cu(II)) Based on Semirigid Oxadiazole Bridging Ligands by Solution and Hydrothermal Reactions","Crystal Growth & Design","2007","7","6","1058","","10.1021/cg060583+","","","0.71073","MoKα","","0.0475","0.0412","","","0.1047","0.1082","","","","","","1.058","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511336","10.0508","0.0005","10.1032","0.0005","13.1931","0.0008","75.7076","0.0019","68.6728","0.0015","65.407","0.0015","1127.51","0.11","333.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 Ni3 O20 -","- C18 H10 Ni3 O20 -","- C36 H20 Ni6 O40 -","2","1","","Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Formation of Strong OH2···-O2C Hydrogen Bonds in a Trinuclear Core-Based Nickel 1,3,5-Benzenetricarboxylate Coordination Polymer","Crystal Growth & Design","2007","7","6","1205","","10.1021/cg060819+","","","0.71075","MoKα","","","0.0298","","","","0.089","","","","","","0.969","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511337","10.0453","0.0004","10.0964","0.0005","13.1545","0.0006","75.7238","0.0015","68.5836","0.0012","65.4318","0.0012","1122.48","0.09","253.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 Ni3 O20 -","- C18 H10 Ni3 O20 -","- C36 H20 Ni6 O40 -","2","1","","Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Formation of Strong OH2···-O2C Hydrogen Bonds in a Trinuclear Core-Based Nickel 1,3,5-Benzenetricarboxylate Coordination Polymer","Crystal Growth & Design","2007","7","6","1205","","10.1021/cg060819+","","","0.71075","MoKα","","","0.036","","","","0.1241","","","","","","1.244","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511338","10.0604","0.0005","10.1121","0.0006","13.2151","0.0008","75.664","0.0018","68.6105","0.0015","65.3574","0.0015","1130.52","0.11","363.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 Ni3 O20 -","- C18 H10 Ni3 O20 -","- C36 H20 Ni6 O40 -","2","1","","Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Formation of Strong OH2···-O2C Hydrogen Bonds in a Trinuclear Core-Based Nickel 1,3,5-Benzenetricarboxylate Coordination Polymer","Crystal Growth & Design","2007","7","6","1205","","10.1021/cg060819+","","","0.71075","MoKα","","","0.0386","","","","0.1495","","","","","","1.126","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511339","10.0511","0.0006","10.1076","0.0007","13.1964","0.0007","75.624","0.003","68.638","0.002","65.382","0.003","1127.66","0.12","353.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 Ni3 O20 -","- C18 H10 Ni3 O20 -","- C36 H20 Ni6 O40 -","2","1","","Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Formation of Strong OH2···-O2C Hydrogen Bonds in a Trinuclear Core-Based Nickel 1,3,5-Benzenetricarboxylate Coordination Polymer","Crystal Growth & Design","2007","7","6","1205","","10.1021/cg060819+","","","0.71075","MoKα","","","0.0342","","","","0.1173","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511340","10.0138","0.0004","10.0901","0.0004","13.2226","0.0005","75.3466","0.0008","67.8473","0.0009","65.7244","0.0009","1120.36","0.08","143.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 Ni3 O20 -","- C18 H10 Ni3 O20 -","- C36 H20 Ni6 O40 -","2","1","","Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Formation of Strong OH2···-O2C Hydrogen Bonds in a Trinuclear Core-Based Nickel 1,3,5-Benzenetricarboxylate Coordination Polymer","Crystal Growth & Design","2007","7","6","1205","","10.1021/cg060819+","","","0.71075","MoKα","","","0.0324","","","","0.1104","","","","","","1.222","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511341","6.6978","0.0005","9.6542","0.0008","10.1056","0.0007","112.708","0.003","93.919","0.002","106.591","0.002","565.79","0.08","393.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 Ni3 O20 -","- C18 H10 Ni3 O20 -","- C18 H10 Ni3 O20 -","1","0.5","","Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Formation of Strong OH2···-O2C Hydrogen Bonds in a Trinuclear Core-Based Nickel 1,3,5-Benzenetricarboxylate Coordination Polymer","Crystal Growth & Design","2007","7","6","1205","","10.1021/cg060819+","","","0.71075","MoKα","","","0.0289","","","","0.0836","","","","","","1.166","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511342","6.6827","0.0006","9.6566","0.0008","10.1084","0.001","112.735","0.003","93.964","0.004","106.524","0.003","564.84","0.09","373.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 Ni3 O20 -","- C18 H10 Ni3 O20 -","- C18 H10 Ni3 O20 -","1","0.5","","Noro, Shin-ichiro; Akutagawa, Tomoyuki; Nakamura, Takayoshi","Formation of Strong OH2···-O2C Hydrogen Bonds in a Trinuclear Core-Based Nickel 1,3,5-Benzenetricarboxylate Coordination Polymer","Crystal Growth & Design","2007","7","6","1205","","10.1021/cg060819+","","","0.71075","MoKα","","","0.0309","","","","0.0962","","","","","","1.155","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511343","9.3079","0.0003","9.6357","0.0002","13.0894","0.0004","75.1009","0.0017","71.3861","0.0011","70.6065","0.0016","1034.32","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Cl2 N2 O4 -","- C22 H20 Cl2 N2 O4 -","- C44 H40 Cl4 N4 O8 -","2","1","","Parkin, Andrew; Wozniak, Krzysztof; Wilson, Chick C.","From Proton Disorder to Proton Migration: A Continuum in the Hydrogen Bond of a Proton Sponge in the Solid State","Crystal Growth & Design","2007","7","8","1393","","10.1021/cg0606848","","","0.71073","MoKα","","0.0643","0.0405","","0.1085","0.0996","0.1085","","","","","","0.9209","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511344","9.3029","0.0003","9.6265","0.0002","13.0322","0.0004","75.1325","0.0017","71.2289","0.0012","70.6196","0.0016","1027.63","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Cl2 N2 O4 -","- C22 H20 Cl2 N2 O4 -","- C44 H40 Cl4 N4 O8 -","2","1","","Parkin, Andrew; Wozniak, Krzysztof; Wilson, Chick C.","From Proton Disorder to Proton Migration: A Continuum in the Hydrogen Bond of a Proton Sponge in the Solid State","Crystal Growth & Design","2007","7","8","1393","","10.1021/cg0606848","","","0.71073","MoKα","","0.0619","0.0393","","0.1042","0.0955","0.1042","","","","","","0.9292","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511345","9.3119","0.0003","9.6483","0.0002","13.1559","0.0004","75.0966","0.0017","71.5688","0.0012","70.5777","0.0016","1042.15","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Cl2 N2 O4 -","- C22 H20 Cl2 N2 O4 -","- C44 H40 Cl4 N4 O8 -","2","1","","Parkin, Andrew; Wozniak, Krzysztof; Wilson, Chick C.","From Proton Disorder to Proton Migration: A Continuum in the Hydrogen Bond of a Proton Sponge in the Solid State","Crystal Growth & Design","2007","7","8","1393","","10.1021/cg0606848","","","0.71073","MoKα","","0.0705","0.0437","","0.1203","0.1085","0.1203","","","","","","0.9181","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511346","9.3059","0.0004","9.6606","0.0003","13.2242","0.0006","75.09","0.002","71.7689","0.0016","70.562","0.002","1049.13","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Cl2 N2 O4 -","- C22 H20 Cl2 N2 O4 -","- C44 H40 Cl4 N4 O8 -","2","1","","Parkin, Andrew; Wozniak, Krzysztof; Wilson, Chick C.","From Proton Disorder to Proton Migration: A Continuum in the Hydrogen Bond of a Proton Sponge in the Solid State","Crystal Growth & Design","2007","7","8","1393","","10.1021/cg0606848","","","0.71073","MoKα","","0.0896","0.0511","","0.1575","0.1331","0.1575","","","","","","0.8534","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511347","9.3087","0.0004","9.6777","0.0003","13.3077","0.0005","75.117","0.002","71.9947","0.0015","70.47","0.002","1058.66","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Cl2 N2 O4 -","- C22 H20 Cl2 N2 O4 -","- C44 H40 Cl4 N4 O8 -","2","1","","Parkin, Andrew; Wozniak, Krzysztof; Wilson, Chick C.","From Proton Disorder to Proton Migration: A Continuum in the Hydrogen Bond of a Proton Sponge in the Solid State","Crystal Growth & Design","2007","7","8","1393","","10.1021/cg0606848","","","0.71073","MoKα","","0.1023","0.0543","","0.157","0.1337","0.157","","","","","","0.9141","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511348","14.384","0.005","4.9751","0.0016","22.709","0.007","90","","102.085","0.006","90","","1589.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 F2 N3 O2 -","- C19 H13 F2 N3 O2 -","- C76 H52 F8 N12 O8 -","4","1","","Zhu, Yuan-Yuan; Wu, Jing; Li, Chuang; Zhu, Jiang; Hou, Jun-Li; Li, Chang-Zhi; Jiang, Xi-Kui; Li, Zhan-Ting","F···H−N and MeO···H−N Hydrogen-Bonding in the Solid States of Aromatic Amides and Hydrazides: A Comparison Study","Crystal Growth & Design","2007","7","8","1490","","10.1021/cg070257+","","","0.71073","MoKα","","0.1067","0.063","","","0.1376","0.1546","","","","","","1.009","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511349","18.5875","0.0018","7.3555","0.0007","20.905","0.002","90","","114.532","0.002","90","","2600.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 O9 -","- C28 H28 N2 O9 -","- C112 H112 N8 O36 -","4","1","","Zhu, Yuan-Yuan; Wu, Jing; Li, Chuang; Zhu, Jiang; Hou, Jun-Li; Li, Chang-Zhi; Jiang, Xi-Kui; Li, Zhan-Ting","F···H−N and MeO···H−N Hydrogen-Bonding in the Solid States of Aromatic Amides and Hydrazides: A Comparison Study","Crystal Growth & Design","2007","7","8","1490","","10.1021/cg070257+","","","0.71073","MoKα","","0.0549","0.0422","","","0.1078","0.1292","","","","","","1.083","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511350","4.7817","0.0008","6.9484","0.0012","18.366","0.003","90","","93.863","0.003","90","","608.83","0.18","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 F2 N2 O2 -","- C14 H10 F2 N2 O2 -","- C28 H20 F4 N4 O4 -","2","0.5","","Zhu, Yuan-Yuan; Wu, Jing; Li, Chuang; Zhu, Jiang; Hou, Jun-Li; Li, Chang-Zhi; Jiang, Xi-Kui; Li, Zhan-Ting","F···H−N and MeO···H−N Hydrogen-Bonding in the Solid States of Aromatic Amides and Hydrazides: A Comparison Study","Crystal Growth & Design","2007","7","8","1490","","10.1021/cg070257+","","","0.71073","MoKα","","0.0588","0.0448","","","0.1069","0.1138","","","","","","1.003","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511351","4.8304","0.0009","12.954","0.003","14.672","0.003","105.165","0.004","90.387","0.004","97.674","0.004","877.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 F3 N2 O2 -","- C21 H15 F3 N2 O2 -","- C42 H30 F6 N4 O4 -","2","1","","Zhu, Yuan-Yuan; Wu, Jing; Li, Chuang; Zhu, Jiang; Hou, Jun-Li; Li, Chang-Zhi; Jiang, Xi-Kui; Li, Zhan-Ting","F···H−N and MeO···H−N Hydrogen-Bonding in the Solid States of Aromatic Amides and Hydrazides: A Comparison Study","Crystal Growth & Design","2007","7","8","1490","","10.1021/cg070257+","","","0.71073","MoKα","","0.1104","0.0681","","","0.1577","0.1915","","","","","","1.092","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511352","4.8124","0.0008","6.1524","0.0011","11.728","0.002","88.794","0.003","81.757","0.003","88.045","0.003","343.41","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Cl2 N2 O2 -","- C14 H10 Cl2 N2 O2 -","- C14 H10 Cl2 N2 O2 -","1","0.5","","Zhu, Yuan-Yuan; Wu, Jing; Li, Chuang; Zhu, Jiang; Hou, Jun-Li; Li, Chang-Zhi; Jiang, Xi-Kui; Li, Zhan-Ting","F···H−N and MeO···H−N Hydrogen-Bonding in the Solid States of Aromatic Amides and Hydrazides: A Comparison Study","Crystal Growth & Design","2007","7","8","1490","","10.1021/cg070257+","","","0.71073","MoKα","","0.0582","0.0545","","","0.1345","0.1397","","","","","","1.063","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511353","7.5701","0.0008","8.4178","0.0009","13.5441","0.0015","82.489","0.002","75.873","0.002","84.66","0.002","828.11","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 F4 N2 O2 -","- C20 H12 F4 N2 O2 -","- C40 H24 F8 N4 O4 -","2","1","","Zhu, Yuan-Yuan; Wu, Jing; Li, Chuang; Zhu, Jiang; Hou, Jun-Li; Li, Chang-Zhi; Jiang, Xi-Kui; Li, Zhan-Ting","F···H−N and MeO···H−N Hydrogen-Bonding in the Solid States of Aromatic Amides and Hydrazides: A Comparison Study","Crystal Growth & Design","2007","7","8","1490","","10.1021/cg070257+","","","0.71073","MoKα","","0.0578","0.0397","","","0.0746","0.0786","","","","","","1.007","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511354","6.2494","0.0004","15.578","0.002","15.62","0.002","110.665","0.005","100.549","0.006","82.736","0.007","1395.6","0.3","296.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H33 Br N2 O7 S -","- C27 H32 Br N2 O7 S -","- C54 H64 Br2 N4 O14 S2 -","2","1","","Horiguchi, Masahiro; Okuhara, Shinichiro; Shimano, Eiji; Fujimoto, Daisuke; Takahashi, Hiroki; Tsue, Hirohito; Tamura, Rui","Mechanistic Flexibility of Solvent-Assisted Solid-to-Solid Polymorphic Transition Causing Preferential Enrichment: Significant Contribution of π/π and CH/π Interactions as Well as Hydrogen Bonds","Crystal Growth & Design","2007","7","9","1643","","10.1021/cg070083w","","","0.71069","MoKα","","","0.1072","","","","0.1877","","","","","","0.968","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511355","6.246","0.004","15.485","0.01","15.505","0.012","110.59","0.05","96.95","0.06","79.95","0.05","1379.4","1.7","296.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C27 H33 Cl N2 O7 S -","- C27 H32 Cl N2 O7 S -","- C54 H64 Cl2 N4 O14 S2 -","2","1","","Horiguchi, Masahiro; Okuhara, Shinichiro; Shimano, Eiji; Fujimoto, Daisuke; Takahashi, Hiroki; Tsue, Hirohito; Tamura, Rui","Mechanistic Flexibility of Solvent-Assisted Solid-to-Solid Polymorphic Transition Causing Preferential Enrichment: Significant Contribution of π/π and CH/π Interactions as Well as Hydrogen Bonds","Crystal Growth & Design","2007","7","9","1643","","10.1021/cg070083w","","","0.71075","MoKα","","","0.0806","","","","0.1194","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4511356","19.451","0.001","10.994","0.001","15.087","0.001","90","","121.24","0.01","90","","2758.5","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 N4 O16 Zr -","- C28 H20 N4 O16 Zr -","- C112 H80 N16 O64 Zr4 -","4","0.5","","Imaz, Inhar; Thillet, Anthony; Sutter, Jean-Pascal","Charge-Assisted Hydrogen-Bonded Assemblage of an Anionic {M(C2O4)4}4-Building Unit and Organic Cations: A Versatile Approach to Hybrid Supramolecular Architectures","Crystal Growth & Design","2007","7","9","1753","","10.1021/cg060905+","","","0.71073","MoKα","","0.09","0.072","","","0.2311","0.2593","","","","","","1.237","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511357","9.983","0.001","21.343","0.002","17.433","0.002","90","","103.2","0.04","90","","3616.3","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 N4 O18 Zr -","- C32 H32 N4 O18 Zr -","- C128 H128 N16 O72 Zr4 -","4","0.5","","Imaz, Inhar; Thillet, Anthony; Sutter, Jean-Pascal","Charge-Assisted Hydrogen-Bonded Assemblage of an Anionic {M(C2O4)4}4-Building Unit and Organic Cations: A Versatile Approach to Hybrid Supramolecular Architectures","Crystal Growth & Design","2007","7","9","1753","","10.1021/cg060905+","","","0.71073","MoKα","","0.0532","0.0432","","","0.1324","0.1584","","","","","","1.178","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4511358","8.796","0.005","10.674","0.005","19.617","0.008","90","","101.95","0.04","90","","1801.9","1.5","180","2","180","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C32 H32 N4 O20 Zr -","- C32 H32 N4 O20 Zr -","- C64 H64 N8 O40 Zr2 -","2","0.5","","Imaz, Inhar; Thillet, Anthony; Sutter, Jean-Pascal","Charge-Assisted Hydrogen-Bonded Assemblage of an Anionic {M(C2O4)4}4-Building Unit and Organic Cations: A Versatile Approach to Hybrid Supramolecular Architectures","Crystal Growth & Design","2007","7","9","1753","","10.1021/cg060905+","","","0.71073","MoKα","","0.0295","0.0273","","","0.079","0.088","","","","","","1.206","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511359","18.167","0.003","11.556","0.003","13.384","0.003","90","","91.3","0.08","90","","2809.1","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N8 O16 Zr -","- C24 H24 N8 O16 Zr -","- C96 H96 N32 O64 Zr4 -","4","0.5","","Imaz, Inhar; Thillet, Anthony; Sutter, Jean-Pascal","Charge-Assisted Hydrogen-Bonded Assemblage of an Anionic {M(C2O4)4}4-Building Unit and Organic Cations: A Versatile Approach to Hybrid Supramolecular Architectures","Crystal Growth & Design","2007","7","9","1753","","10.1021/cg060905+","","","0.71073","MoKα","","0.0643","0.0371","","","0.0977","0.1398","","","","","","1.203","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511360","7.729","0.001","11.696","0.001","16.978","0.001","74.42","0.09","83.32","0.01","72.45","0.07","1408.5","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H54 N8 O39 Zr2 -","- C40 H54 N8 O39 Zr2 -","- C40 H54 N8 O39 Zr2 -","1","0.5","","Imaz, Inhar; Thillet, Anthony; Sutter, Jean-Pascal","Charge-Assisted Hydrogen-Bonded Assemblage of an Anionic {M(C2O4)4}4-Building Unit and Organic Cations: A Versatile Approach to Hybrid Supramolecular Architectures","Crystal Growth & Design","2007","7","9","1753","","10.1021/cg060905+","","","0.71073","MoKα","","0.131","0.0674","","","0.1503","0.1881","","","","","","1.147","","","","has coordinates","179660","2020-10-21","18:00:00",""
"4511361","15.3204","0.0002","8.9683","0.001","21.3005","0.0004","90","","109.577","0.001","90","","2757.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 N4 O20 Zr -","- C20 H28 N4 O20 Zr -","- C80 H112 N16 O80 Zr4 -","4","1","","Imaz, Inhar; Thillet, Anthony; Sutter, Jean-Pascal","Charge-Assisted Hydrogen-Bonded Assemblage of an Anionic {M(C2O4)4}4-Building Unit and Organic Cations: A Versatile Approach to Hybrid Supramolecular Architectures","Crystal Growth & Design","2007","7","9","1753","","10.1021/cg060905+","","","0.71073","MoKα","","0.0686","0.035","","","0.0905","0.1336","","","","","","1.139","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511362","9.039","0.004","13.392","0.006","19.109","0.006","90","","98.3","0.03","90","","2288.9","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N4 O17 Zr -","- C16 H26 N4 O17 Zr -","- C64 H104 N16 O68 Zr4 -","4","1","","Imaz, Inhar; Thillet, Anthony; Sutter, Jean-Pascal","Charge-Assisted Hydrogen-Bonded Assemblage of an Anionic {M(C2O4)4}4-Building Unit and Organic Cations: A Versatile Approach to Hybrid Supramolecular Architectures","Crystal Growth & Design","2007","7","9","1753","","10.1021/cg060905+","","","0.71073","MoKα","","0.1066","0.0582","","","0.1355","0.2079","","","","","","1.1","","","","has coordinates","301843","2025-08-21","01:58:37",""
"4511363","10.247","0.002","12.096","0.002","13.312","0.002","90","","90.92","0.06","90","","1649.8","0.5","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C28 H23 K N4 O22 Zr -","- C28 H23 K N4 O22 Zr -","- C56 H46 K2 N8 O44 Zr2 -","2","0.5","","Imaz, Inhar; Thillet, Anthony; Sutter, Jean-Pascal","Charge-Assisted Hydrogen-Bonded Assemblage of an Anionic {M(C2O4)4}4-Building Unit and Organic Cations: A Versatile Approach to Hybrid Supramolecular Architectures","Crystal Growth & Design","2007","7","9","1753","","10.1021/cg060905+","","","0.71073","MoKα","","0.0562","0.0333","","","0.0917","0.1403","","","","","","1.253","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4512488","5.6681","0.0008","8.7484","0.0013","14.873","0.002","90","","95.446","0.003","90","","734.18","0.18","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 B2 F8 N2 -","- C12 H14 B2 F8 N2 -","- C24 H28 B4 F16 N4 -","2","0.5","","Haynes, Keith M.; Perry, Collin M.; Rivas, Marlene; Golden, Teresa D.; Bazan, Antony; Quintana, Maria; Nesterov, Vladimir N.; Berhe, Seare A.; Rodríguez, Juan; Estrada, Walter; Youngblood, W. Justin","Templated electrodeposition and photocatalytic activity of cuprous oxide nanorod arrays.","ACS applied materials & interfaces","2015","7","1","830","837","10.1021/am507244q","","","0.71073","MoKα","","0.0504","0.0403","","","0.1051","0.1128","","","","","","1.036","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512579","5.5225","0.0004","8.0712","0.0004","31.0578","0.0015","94.482","0.004","92.994","0.005","105.696","0.005","1324.76","0.14","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","2,7-dioctyloxy-[1]benzothieno[3,2,b]benzothiophene","","- C30 H40 O2 S2 -","- C30 H40 O2 S2 -","- C60 H80 O4 S4 -","2","1","","Jones, Andrew O. F.; Geerts, Yves H.; Karpinska, Jolanta; Kennedy, Alan R.; Resel, Roland; Röthel, Christian; Ruzié, Christian; Werzer, Oliver; Sferrazza, Michele","Substrate-Induced Phase of a [1]Benzothieno[3,2-b]benzothiophene Derivative and Phase Evolution by Aging and Solvent Vapor Annealing.","ACS applied materials & interfaces","2015","7","3","1868","1873","10.1021/am5075908","","","0.71073","MoKα","","0.0939","0.0537","","","0.0918","0.104","","","","","","1.054","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512580","9.4861","0.0015","13.822","0.002","14.253","0.003","100.383","0.007","90.419","0.008","107.068","0.006","1753.6","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H36 N2 O3 S2 -","- C41 H36 N2 O3 S2 -","- C82 H72 N4 O6 S4 -","2","1","","Baheti, Abhishek; Justin Thomas, K. R.; Li, Chun-Ting; Lee, Chuan-Pei; Ho, Kuo-Chuan","Fluorene-based sensitizers with a phenothiazine donor: effect of mode of donor tethering on the performance of dye-sensitized solar cells.","ACS applied materials & interfaces","2015","7","4","2249","2262","10.1021/am506149q","","","0.71073","MoKα","","0.2062","0.0719","","","0.1901","0.2585","","","","","","0.984","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512667","13.066","0.009","13.642","0.009","16.025","0.011","82.01","0.007","85.328","0.007","79.875","0.007","2780","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H92 N6 O26 S2 Tb2 -","- C82 H92 N6 O26 S2 Tb2 -","- C82 H92 N6 O26 S2 Tb2 -","1","0.5","","Wang, Ya-Wen; Liu, Shun-Bang; Yang, Yan-Ling; Wang, Peng-Zhi; Zhang, Ai-Jiang; Peng, Yu","A Terbium(III)-Complex-Based On-Off Fluorescent Chemosensor for Phosphate Anions in Aqueous Solution and Its Application in Molecular Logic Gates.","ACS applied materials & interfaces","2015","7","7","4415","4422","10.1021/am5089346","","","0.71073","MoKα","","0.0916","0.0697","","","0.1638","0.1735","","","","","","0.95","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512668","13.008","0.002","13.602","0.003","15.96","0.003","81.863","0.002","85.156","0.002","79.801","0.002","2746.2","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H92 Gd2 N6 O26 S2 -","- C82 H92 Gd2 N6 O26 S2 -","- C82 H92 Gd2 N6 O26 S2 -","1","0.5","","Wang, Ya-Wen; Liu, Shun-Bang; Yang, Yan-Ling; Wang, Peng-Zhi; Zhang, Ai-Jiang; Peng, Yu","A Terbium(III)-Complex-Based On-Off Fluorescent Chemosensor for Phosphate Anions in Aqueous Solution and Its Application in Molecular Logic Gates.","ACS applied materials & interfaces","2015","7","7","4415","4422","10.1021/am5089346","","","0.71073","MoKα","","0.0809","0.0498","","","0.1148","0.1248","","","","","","0.968","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512669","13.051","0.005","13.634","0.005","16.013","0.005","81.813","0.004","85.137","0.004","79.793","0.004","2770.4","1.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C82 H92 Eu2 N6 O26 S2 -","- C82 H92 Eu2 N6 O26 S2 -","- C82 H92 Eu2 N6 O26 S2 -","1","0.5","","Wang, Ya-Wen; Liu, Shun-Bang; Yang, Yan-Ling; Wang, Peng-Zhi; Zhang, Ai-Jiang; Peng, Yu","A Terbium(III)-Complex-Based On-Off Fluorescent Chemosensor for Phosphate Anions in Aqueous Solution and Its Application in Molecular Logic Gates.","ACS applied materials & interfaces","2015","7","7","4415","4422","10.1021/am5089346","","","0.71073","MoKα","","0.0746","0.0564","","","0.1384","0.1464","","","","","","0.965","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512670","10.8235","0.0009","11.5062","0.0009","17.3496","0.0014","89.269","0.007","88.734","0.007","79.065","0.007","2120.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H46 N O14 S3 -","- C39 H49 N O14 S3 -","- C78 H98 N2 O28 S6 -","2","1","","Wang, Ya-Wen; Liu, Shun-Bang; Yang, Yan-Ling; Wang, Peng-Zhi; Zhang, Ai-Jiang; Peng, Yu","A Terbium(III)-Complex-Based On-Off Fluorescent Chemosensor for Phosphate Anions in Aqueous Solution and Its Application in Molecular Logic Gates.","ACS applied materials & interfaces","2015","7","7","4415","4422","10.1021/am5089346","","","0.71073","MoKα","","0.1479","0.0815","","","0.1723","0.2206","","","","","","1.017","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512671","28.39","0.002","6.4428","0.0005","16.4436","0.0013","90","","90.821","0.003","90","","3007.4","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H29 N3 O2 Pd -","- C37 H29 N3 O2 Pd -","- C148 H116 N12 O8 Pd4 -","4","1","","Ionescu, Andreea; Lento, Raffaella; Mastropietro, Teresa F.; Aiello, Iolinda; Termine, Roberto; Golemme, Attilio; Ghedini, Mauro; Bellec, Nathalie; Pini, Elena; Rimoldi, Isabella; Godbert, Nicolas","Electropolymerized highly photoconductive thin films of cyclopalladated and cycloplatinated complexes.","ACS applied materials & interfaces","2015","7","7","4019","4028","10.1021/am506984m","","","0.71073","MoKα","","0.0519","0.0338","","","0.0939","0.1135","","","","","","1.079","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512672","10.0139","0.0018","10.033","0.002","35.752","0.007","91.858","0.009","95.719","0.009","108.279","0.009","3386","1.1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H33 N3 O2 Pd -","- C43 H33 N3 O2 Pd -","- C172 H132 N12 O8 Pd4 -","4","2","","Ionescu, Andreea; Lento, Raffaella; Mastropietro, Teresa F.; Aiello, Iolinda; Termine, Roberto; Golemme, Attilio; Ghedini, Mauro; Bellec, Nathalie; Pini, Elena; Rimoldi, Isabella; Godbert, Nicolas","Electropolymerized highly photoconductive thin films of cyclopalladated and cycloplatinated complexes.","ACS applied materials & interfaces","2015","7","7","4019","4028","10.1021/am506984m","","","0.71073","MoKα","","0.0872","0.0499","","","0.1066","0.1254","","","","","","1.026","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512673","6.5511","0.0019","9.456","0.003","31.81","0.009","93.023","0.014","92.432","0.014","106.44","0.013","1884","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H35 N3 O2 Pd -","- C45 H35 N3 O2 Pd -","- C90 H70 N6 O4 Pd2 -","2","1","","Ionescu, Andreea; Lento, Raffaella; Mastropietro, Teresa F.; Aiello, Iolinda; Termine, Roberto; Golemme, Attilio; Ghedini, Mauro; Bellec, Nathalie; Pini, Elena; Rimoldi, Isabella; Godbert, Nicolas","Electropolymerized highly photoconductive thin films of cyclopalladated and cycloplatinated complexes.","ACS applied materials & interfaces","2015","7","7","4019","4028","10.1021/am506984m","","","0.71073","MoKα","","0.1622","0.1111","","","0.2813","0.3191","","","","","","1.103","","","","has coordinates,has disorder","179674","2020-10-21","18:00:00",""
"4512674","28.23","0.013","6.498","0.003","16.353","0.008","90","","90.285","0.016","90","","3000","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H29 N3 O2 Pt -","- C37 H29 N3 O2 Pt -","- C148 H116 N12 O8 Pt4 -","4","1","","Ionescu, Andreea; Lento, Raffaella; Mastropietro, Teresa F.; Aiello, Iolinda; Termine, Roberto; Golemme, Attilio; Ghedini, Mauro; Bellec, Nathalie; Pini, Elena; Rimoldi, Isabella; Godbert, Nicolas","Electropolymerized highly photoconductive thin films of cyclopalladated and cycloplatinated complexes.","ACS applied materials & interfaces","2015","7","7","4019","4028","10.1021/am506984m","","","0.71073","MoKα","","0.0482","0.0278","","","0.0688","0.1016","","","","","","1.137","","","","has coordinates","179674","2020-10-21","18:00:00",""
"4512675","21.956","0.003","10.0166","0.0011","33.5","0.004","90","","103.785","0.005","90","","7155.3","1.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C86.5 H67 Cl N6 O4 Pt2 -","- C86.5 H67 Cl N6 O4 Pt2 -","- C346 H268 Cl4 N24 O16 Pt8 -","4","1","","Ionescu, Andreea; Lento, Raffaella; Mastropietro, Teresa F.; Aiello, Iolinda; Termine, Roberto; Golemme, Attilio; Ghedini, Mauro; Bellec, Nathalie; Pini, Elena; Rimoldi, Isabella; Godbert, Nicolas","Electropolymerized highly photoconductive thin films of cyclopalladated and cycloplatinated complexes.","ACS applied materials & interfaces","2015","7","7","4019","4028","10.1021/am506984m","","","0.71073","MoKα","","0.0834","0.0446","","","0.1065","0.1347","","","","","","1.077","","","","has coordinates","301843","2025-08-21","01:58:38",""
"4512942","7.7025","0.0012","7.708","0.0011","16.958","0.003","78.06","0.004","88.605","0.004","82.113","0.004","975.7","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H52 N2 Si2 -","- C42 H52 N2 Si2 -","- C42 H52 N2 Si2 -","1","0.5","","Xu, Xiaomin; Xiao, Ting; Gu, Xiao; Yang, Xuejin; Kershaw, Stephen V.; Zhao, Ni; Xu, Jianbin; Miao, Qian","Solution-Processed Ambipolar Organic Thin-Film Transistors by Blending p- and n-Type Semiconductors: Solid Solution versus Microphase Separation.","ACS applied materials & interfaces","2015","7","51","28019","28026","10.1021/acsami.5b01172","","","0.71073","MoKα","","0.1049","0.0547","","","0.1467","0.1845","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512943","7.5962","0.0013","7.7187","0.0012","16.939","0.003","78.487","0.004","89.106","0.004","81.261","0.004","961.8","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H52 N2 Si2 -","- C42 H50 N2 Si2 -","- C42 H50 N2 Si2 -","1","0.5","","Xu, Xiaomin; Xiao, Ting; Gu, Xiao; Yang, Xuejin; Kershaw, Stephen V.; Zhao, Ni; Xu, Jianbin; Miao, Qian","Solution-Processed Ambipolar Organic Thin-Film Transistors by Blending p- and n-Type Semiconductors: Solid Solution versus Microphase Separation.","ACS applied materials & interfaces","2015","7","51","28019","28026","10.1021/acsami.5b01172","","","0.71073","MoKα","","0.1111","0.0584","","","0.1507","0.1849","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4512944","7.614","0.004","7.647","0.004","16.876","0.008","78.31","0.009","88.812","0.009","82.064","0.009","953","0.8","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H52 N2 Si2 -","- C42 H52 N2 Si2 -","- C42 H52 N2 Si2 -","1","0.5","","Xu, Xiaomin; Xiao, Ting; Gu, Xiao; Yang, Xuejin; Kershaw, Stephen V.; Zhao, Ni; Xu, Jianbin; Miao, Qian","Solution-Processed Ambipolar Organic Thin-Film Transistors by Blending p- and n-Type Semiconductors: Solid Solution versus Microphase Separation.","ACS applied materials & interfaces","2015","7","51","28019","28026","10.1021/acsami.5b01172","","","0.71073","MoKα","","0.1667","0.0714","","","0.1739","0.2385","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513479","11.585","0.003","13.311","0.003","14.923","0.004","106.874","0.003","107.017","0.003","99.008","0.003","2031.1","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H66 Bi2 Cl12 N6 O6 -","- C78 H66 Bi2 Cl12 N6 O6 -","- C78 H66 Bi2 Cl12 N6 O6 -","1","0.5","","Shi, Wei; Xing, Feifei; Bai, Yue-Ling; Hu, Meiling; Zhao, Yongmei; Li, Ming-Xing; Zhu, Shourong","High Sensitivity Viologen for a Facile and Versatile Sensor of Base and Solvent Polarity in Solution and Solid State in Air Atmosphere.","ACS applied materials & interfaces","2015","7","26","14493","14500","10.1021/acsami.5b03932","","","0.71073","MoKα","","0.0485","0.036","","","0.0844","0.0899","","","","","","0.85","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513480","11.582","0.01","13.318","0.012","14.951","0.013","106.738","0.01","106.793","0.01","99.103","0.01","2040","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H33 Bi Cl6 N3 O3 -","- C39 H33 Bi Cl6 N3 O3 -","- C78 H66 Bi2 Cl12 N6 O6 -","2","1","","Shi, Wei; Xing, Feifei; Bai, Yue-Ling; Hu, Meiling; Zhao, Yongmei; Li, Ming-Xing; Zhu, Shourong","High Sensitivity Viologen for a Facile and Versatile Sensor of Base and Solvent Polarity in Solution and Solid State in Air Atmosphere.","ACS applied materials & interfaces","2015","7","26","14493","14500","10.1021/acsami.5b03932","","","0.71073","MoKα","","0.0317","0.0256","","","0.0579","0.0594","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4513653","13.4131","0.0008","13.4131","0.0008","12.342","0.003","90","","90","","90","","2220.5","0.6","150","2","150","2","","","","","","","","3","I 4/m","-I 4","87","","","","- C60 H38 N4 -","- C60 H38 N4 -","- C120 H76 N8 -","2","0.125","","Sheng, Ning; Zong, Shenfei; Cao, Wei; Jiang, Jianzhuang; Wang, Zhuyuan; Cui, Yiping","Water Dispersible and Biocompatible Porphyrin-Based Nanospheres for Biophotonics Applications: A Novel Surfactant and Polyelectrolyte-Based Fabrication Strategy for Modifying Hydrophobic Porphyrins.","ACS applied materials & interfaces","2015","7","35","19718","19725","10.1021/acsami.5b05256","","","1.54184","CuKα","","0.0981","0.0705","","","0.2002","0.2201","","","","","","1.077","","","","has coordinates","159573","2020-10-21","18:00:00",""
"4513654","14.3503","0.0007","9.2413","0.0004","20.0339","0.0015","90","","107.231","0.006","90","","2537.6","0.3","150","0.14","150","0.14","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C60 H38 N4 -","- C60 H38 N4 -","- C120 H76 N8 -","2","0.5","","Sheng, Ning; Zong, Shenfei; Cao, Wei; Jiang, Jianzhuang; Wang, Zhuyuan; Cui, Yiping","Water Dispersible and Biocompatible Porphyrin-Based Nanospheres for Biophotonics Applications: A Novel Surfactant and Polyelectrolyte-Based Fabrication Strategy for Modifying Hydrophobic Porphyrins.","ACS applied materials & interfaces","2015","7","35","19718","19725","10.1021/acsami.5b05256","","","1.54178","CuKα","","0.2081","0.1498","","","0.3862","0.427","","","","","","1.206","","","","has coordinates","159574","2020-10-21","18:00:00",""
"4513723","12.972","0.007","23.853","0.012","19.296","0.009","90","","101.487","0.009","90","","5851","5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H10 N6 O6 Ru S3 -","- C21 H10 N6 O6 Ru S3 -","- C84 H40 N24 O24 Ru4 S12 -","4","1","","Cole, Jacqueline M.; Low, Kian Sing; Gong, Yun","Discovery of Black Dye Crystal Structure Polymorphs: Implications for Dye Conformational Variation in Dye-Sensitized Solar Cells.","ACS applied materials & interfaces","2015","7","50","27646","27653","10.1021/acsami.5b07364","","","0.71073","MoKα","","0.0851","0.0552","","","0.1168","0.1268","","","","","","0.927","","","","has coordinates","173566","2020-10-21","18:00:00",""
"4513724","31.67","0.005","22.718","0.005","22.929","0.005","90","0.005","130.767","0.005","90","0.005","12494","4","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C84 H40 N24 O24 Ru4 S12 -","- C84 H40 N24 O24 Ru4 S12 -","- C168 H80 N48 O48 Ru8 S24 -","2","0.5","","Cole, Jacqueline M.; Low, Kian Sing; Gong, Yun","Discovery of Black Dye Crystal Structure Polymorphs: Implications for Dye Conformational Variation in Dye-Sensitized Solar Cells.","ACS applied materials & interfaces","2015","7","50","27646","27653","10.1021/acsami.5b07364","","","0.7","synchrotron","","0.0876","0.0789","","","0.2266","0.2444","","","","","","1.045","","","","has coordinates,has disorder","173566","2020-10-21","18:00:00",""
"4513851","11.917055","0.000036","11.917055","0.000036","11.917055","0.000036","90","","90","","90","","1692.42","0.009","300","","300","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- Al40 Ce0.07 Lu23.83 O96 Y0.07 -","- Al40 Ce0.0792 Lu23.8416 O96 Y0.0792 -","- Al40 Ce0.0792 Lu23.8416 O96 Y0.0792 -","1","0.0104167","","V.V. Atuchin; N.F. Beisel; E.N. Galashov; E.M. Mandrik; M.S. Molokeev; A.P. Yelisseyev; A.A. Yusuf; Zhiguo Xia","Pressure-stimulated synthesis and luminescence properties of microcrystalline (Lu,Y)3Al5O12:Ce3+ garnet phosphors","ACS Applied Materials & Interfaces","2015","7","47","26235","26243","10.1021/acsami.5b08411","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.21","1.254","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4513852","12.012905","0.000029","12.012905","0.000029","12.012905","0.000029","90","","90","","90","","1733.58","0.007","300","","300","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","","- Al10 Ce0.02 O24 Y5.98 -","- Al10 Ce0.0198 O24 Y5.9802 -","- Al40 Ce0.0792 O96 Y23.9208 -","4","0.0416667","","V.V. Atuchin; N.F. Beisel; E.N. Galashov; E.M. Mandrik; M.S. Molokeev; A.P. Yelisseyev; A.A. Yusuf; Zhiguo Xia","Pressure-stimulated synthesis and luminescence properties of microcrystalline (Lu,Y)3Al5O12:Ce3+ garnet phosphors","ACS Applied Materials & Interfaces","2015","7","47","26235","26243","10.1021/acsami.5b08411","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4.14","1.341","","","","","","","has coordinates,has Fobs","205493","2020-10-21","18:00:00",""
"4513874","14.4679","0.0011","15.6477","0.0011","23.5422","0.0018","90","","90","","90","","5329.7","0.7","120","2","120","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C46 H79 F6 N Na O13 P -","- C46 H79 F6 N Na O13 P -","- C184 H316 F24 N4 Na4 O52 P4 -","4","1","","Borgström, Björn; Huang, Xiaoli; Chygorin, Eduard; Oredsson, Stina; Strand, Daniel","Salinomycin Hydroxamic Acids: Synthesis, Structure, and Biological Activity of Polyether Ionophore Hybrids.","ACS medicinal chemistry letters","2016","7","6","635","640","10.1021/acsmedchemlett.6b00079","","","0.71073","MoKα","","0.3259","0.0552","","","0.0797","0.1095","","","","","","0.715","","","","has coordinates","184926","2020-10-21","18:00:00",""
"4513875","12.678","0.001","18.461","0.002","18.603","0.001","90","","101.706","0.007","90","","4263.4","0.6","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H73 N O11 -","- C43 H73 N O11 -","- C172 H292 N4 O44 -","4","2","","Borgström, Björn; Huang, Xiaoli; Chygorin, Eduard; Oredsson, Stina; Strand, Daniel","Salinomycin Hydroxamic Acids: Synthesis, Structure, and Biological Activity of Polyether Ionophore Hybrids.","ACS medicinal chemistry letters","2016","7","6","635","640","10.1021/acsmedchemlett.6b00079","","","0.71073","MoKα","","0.1631","0.0638","","","0.0859","0.1029","","","","","","0.755","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513876","10.5145","0.0005","17.8712","0.0006","12.8433","0.0007","90","","114.07","0.007","90","","2203.5","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H73 N O11 -","- C43 H73 N O11 -","- C86 H146 N2 O22 -","2","1","","Borgström, Björn; Huang, Xiaoli; Chygorin, Eduard; Oredsson, Stina; Strand, Daniel","Salinomycin Hydroxamic Acids: Synthesis, Structure, and Biological Activity of Polyether Ionophore Hybrids.","ACS medicinal chemistry letters","2016","7","6","635","640","10.1021/acsmedchemlett.6b00079","","","0.71073","MoKα","","0.1186","0.0659","","","0.087","0.1029","","","","","","1.049","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513947","8.7563","0.0006","18.1246","0.0015","18.7984","0.0016","90","","90","","90","","2983.4","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","compound29","compound29","","- C30 H38 Cl N3 O4 S2 -","- C30 H38 Cl N3 O4 S2 -","- C120 H152 Cl4 N12 O16 S8 -","4","1","","Purkey, Hans E.; Robarge, Kirk; Chen, Jinhua; Chen, Zhongguo; Corson, Laura B.; Ding, Charles Z.; DiPasquale, Antonio G.; Dragovich, Peter S.; Eigenbrot, Charles; Evangelista, Marie; Fauber, Benjamin P.; Gao, Zhenting; Ge, Hongxiu; Hitz, Anna; Ho, Qunh; Labadie, Sharada S.; Lai, Kwong Wah; Liu, Wenfeng; Liu, Yajing; Li, Chiho; Ma, Shuguang; Malek, Shiva; O'Brien, Thomas; Pang, Jodie; Peterson, David; Salphati, Laurent; Sideris, Steve; Ultsch, Mark; Wei, BinQing; Yen, Ivana; Yue, Qin; Zhang, Huihui; Zhou, Aihe","Cell Active Hydroxylactam Inhibitors of Human Lactate Dehydrogenase with Oral Bioavailability in Mice.","ACS medicinal chemistry letters","2016","7","10","896","901","10.1021/acsmedchemlett.6b00190","","","0.71073","MoKα","","0.0473","0.0411","","","0.0934","0.0965","","","","","","1.061","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4513994","15.431","0.005","16.964","0.005","23.348","0.007","90","","90","","90","","6112","3","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H52 Cu2 N10 -","- C46 H52 Cu2 N10 -","- C184 H208 Cu8 N40 -","4","1","","Trose, Michael; Lazreg, Faïma; Chang, Tao; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Neutral Dinuclear Copper(I)-NHC Complexes: Synthesis and Application in the Hydrosilylation of Ketones","ACS Catalysis","2017","7","1","238","","10.1021/acscatal.6b02723","","","0.71075","MoKα","","0.2579","0.1642","","","0.3988","0.4354","","","","","","1.354","","","","has coordinates","191331","2020-10-21","18:00:00",""
"4513999","8.1455","0.0008","16.5588","0.0016","20.962","0.002","90","","94.132","0.002","90","","2820","0.5","100","2","100","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","Iridiumcpstarnpligand","","","- C25 H39 Cl F3 Ir N O3 P S -","- C25 H39 Cl F3 Ir N O3 P S -","- C100 H156 Cl4 F12 Ir4 N4 O12 P4 S4 -","4","1","","Celaje, Jeff Joseph A.; Zhang, Xingyue; Zhang, Forrest; Kam, Lisa; Herron, Jessica R.; Williams, Travis J.","A Base and Solvent-Free Ruthenium-Catalyzed Alkylation of Amines","ACS Catalysis","2017","7","2","1136","","10.1021/acscatal.6b03088","","","0.71073","MoKα","","0.0475","0.0338","","","0.0697","0.0742","","","","","","1.039","","","","has coordinates","191330","2020-10-21","18:00:00",""
"4514008","9.0973","0.0002","8.2011","0.0002","22.9008","0.0006","90","","99.357","0.001","90","","1685.85","0.07","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H24 N O3 S -","- C17 H24 N O3 S -","- C68 H96 N4 O12 S4 -","4","2","","Feng, Jian-Jun; Zhang, Junliang","Rhodium-Catalyzed Stereoselective Intramolecular Tandem Reaction of Vinyloxiranes with Alkynes: Atom- and Step-Economical Synthesis of Multifunctional Mono-, Bi-, and Tricyclic Compounds","ACS Catalysis","2017","7","3","1533","","10.1021/acscatal.6b03399","","","0.71073","MoKα","","0.0359","0.0343","","","0.0915","0.0932","","","","","","1.034","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4514010","12.546","0.003","14.078","0.003","17.037","0.005","67.591","0.01","72.379","0.009","69.555","0.009","2556.2","1.1","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C54 H46 Al F15 N3 O Re -","- C54 H46 Al F15 N3 O Re -","- C108 H92 Al2 F30 N6 O2 Re2 -","2","1","","Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.","Tuning Catalytic Activity in the Hydrogenation of Unactivated Olefins with Transition-Metal Oxos as the Lewis Base Component of Frustrated Lewis Pairs","ACS Catalysis","2017","7","2","1170","","10.1021/acscatal.6b03313","","","0.71073","MoKα","","0.0528","0.0481","","","0.1268","0.1301","","","","","","1.1","","","","has coordinates,has disorder","191225","2020-10-21","18:00:00",""
"4514011","15.6648","0.0007","13.4862","0.0005","17.082","0.0008","90","","105.914","0.002","90","","3470.4","0.3","100","","100.02","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37.5 H47 Cl N3 O Re -","- C37.5 H47 Cl N3 O Re -","- C150 H188 Cl4 N12 O4 Re4 -","4","1","","Lambic, Nikola S.; Sommer, Roger D.; Ison, Elon A.","Tuning Catalytic Activity in the Hydrogenation of Unactivated Olefins with Transition-Metal Oxos as the Lewis Base Component of Frustrated Lewis Pairs","ACS Catalysis","2017","7","2","1170","","10.1021/acscatal.6b03313","","x-ray","0.71073","MoKα","K-L~3~","0.0298","0.0203","","","0.0427","0.0458","","","","","","1.035","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4514012","16.946","0.003","13.855","0.003","12.2464","0.0014","90","","100.543","0.011","90","","2826.8","0.9","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C28 H27 N3 O8 S2 -","- C28 H27 N3 O8 S2 -","- C112 H108 N12 O32 S8 -","4","1","","Rivinoja, Daniel J.; Gee, Yi Sing; Gardiner, Michael G.; Ryan, John H.; Hyland, Christopher J. T.","The Diastereoselective Synthesis of Pyrroloindolines by Pd-Catalyzed Dearomative Cycloaddition of 1-Tosyl-2-vinylaziridine to 3-Nitroindoles","ACS Catalysis","2017","7","2","1053","","10.1021/acscatal.6b03248","","x-ray","1.54178","CuKα","","0.0334","0.0321","","","0.0795","0.0806","","","","","","1.045","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514013","6.72474","0.00006","16.401","0.0002","17.4977","0.0002","90","","90","","90","","1929.86","0.04","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 O3 -","- C25 H24 O3 -","- C100 H96 O12 -","4","1","","James, Jinju; Guiry, Patrick J.","Highly Enantioselective Construction of Sterically Hindered α-Allyl-α-Aryl Lactones via Palladium-Catalyzed Decarboxylative Asymmetric Allylic Alkylation","ACS Catalysis","2017","7","2","1397","","10.1021/acscatal.6b03355","","","1.54184","CuKα","","0.0292","0.0276","","","0.068","0.0692","","","","","","1.038","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514014","8.2785","0.0005","8.9703","0.0005","14.5673","0.0008","76.336","0.002","87.282","0.002","65.557","0.002","955.4","0.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H13 Au Cl5 N O2 -","- C16 H13 Au Cl5 N O2 -","- C32 H26 Au2 Cl10 N2 O4 -","2","1","","Tomás-Mendivil, Eder; Heinrich, Clément F.; Ortuno, Jean-Claude; Starck, Jérôme; Michelet, Véronique","Gold-Catalyzed Access to 1H-Isochromenes: Reaction Development and Mechanistic Insight","ACS Catalysis","2017","7","1","380","","10.1021/acscatal.6b02636","","","1.5418","CuKα","","0.0305","0.0299","","","0.0767","0.0773","","","","","","1.078","","","","has coordinates","191229","2020-10-21","18:00:00",""
"4514015","47.1143","0.0006","4.86847","0.00008","16.0241","0.0002","90","","97.7446","0.0011","90","","3641.99","0.09","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H19 F3 I N O3 -","- C17 H19 F3 I N O3 -","- C136 H152 F24 I8 N8 O24 -","8","1","","Shen, Yangyang; Cornella, Josep; Juliá-Hernández, Francisco; Martin, Ruben","Visible-Light-Promoted Atom Transfer Radical Cyclization of Unactivated Alkyl Iodides","ACS Catalysis","2017","7","1","409","","10.1021/acscatal.6b03205","","","0.7107","MoKα","","0.0363","0.0328","","","0.0949","0.0972","","","","","","1.033","","","","has coordinates,has disorder","191230","2020-10-21","18:00:00",""
"4514016","11.3017","0.0015","13.5088","0.0015","14.966","0.002","90","","108.686","0.004","90","","2164.5","0.5","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 Cu2 N10 -","- C46 H56 Cu2 N10 -","- C92 H112 Cu4 N20 -","2","0.5","","Trose, Michael; Lazreg, Faïma; Chang, Tao; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Neutral Dinuclear Copper(I)-NHC Complexes: Synthesis and Application in the Hydrosilylation of Ketones","ACS Catalysis","2017","7","1","238","","10.1021/acscatal.6b02723","","","0.71075","MoKα","","0.0422","0.0315","","","0.0766","0.0816","","","","","","1.036","","","","has coordinates","191231","2020-10-21","18:00:00",""
"4514017","20.4817","0.0014","20.4817","0.0014","21.6349","0.0017","90","","90","","90","","9075.8","1.1","173","","173","","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C35 H54 Cl2 Cu2 N10 -","- C35 H54 Cl2 Cu2 N10 -","- C280 H432 Cl16 Cu16 N80 -","8","","","Trose, Michael; Lazreg, Faïma; Chang, Tao; Nahra, Fady; Cordes, David B.; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Neutral Dinuclear Copper(I)-NHC Complexes: Synthesis and Application in the Hydrosilylation of Ketones","ACS Catalysis","2017","7","1","238","","10.1021/acscatal.6b02723","","","0.71075","MoKα","","0.072","0.0606","","","0.1706","0.1843","","","","","","1.071","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4514023","15.3747","0.0012","16.9302","0.0014","27.578","0.002","90","","93.07","0.001","90","","7168.2","1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C78 H65 Cl F6 P5 Pd3 Sb -","- C78 H65 Cl F6 P5 Pd3 Sb -","- C312 H260 Cl4 F24 P20 Pd12 Sb4 -","4","1","","Fu, Fangyu; Xiang, Ji; Cheng, Hao; Cheng, Longjiu; Chong, Hanbao; Wang, Shuxin; Li, Peng; Wei, Shiqiang; Zhu, Manzhou; Li, Yadong","A Robust and Efficient Pd3 Cluster Catalyst for the Suzuki Reaction and Its Odd Mechanism","ACS Catalysis","2017","7","3","1860","","10.1021/acscatal.6b02527","","","0.71073","MoKα","","0.1005","0.0474","","","0.0914","0.1144","","","","","","0.97","","","","has coordinates","193398","2020-10-21","18:00:00",""
"4514024","24.283","0.005","21.152","0.004","17.759","0.004","90","","114.38","0.03","90","","8308","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C94 H118 Ge2 N2 O Si2 -","- C94 H118 Ge2 N2 O Si2 -","- C376 H472 Ge8 N8 O4 Si8 -","4","0.5","","Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron","Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido–Germanium(II) and −Tin(II) Hydride Complexes","ACS Catalysis","2017","7","3","1853","","10.1021/acscatal.6b03306","","","0.7108","Synchrotron","","0.086","0.0695","","","0.196","0.2107","","","","","","1.054","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4514025","10.1191","0.0004","12.9066","0.0005","18.7646","0.0007","88.763","0.003","86.92","0.003","85.612","0.003","2439.63","0.16","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H69 B N O3.5 Si Sn -","- C52 H69 B N O3.5 Si Sn -","- C104 H138 B2 N2 O7 Si2 Sn2 -","2","1","","Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron","Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido–Germanium(II) and −Tin(II) Hydride Complexes","ACS Catalysis","2017","7","3","1853","","10.1021/acscatal.6b03306","","","0.71073","MoKα","","0.0526","0.0414","","","0.1009","0.1086","","","","","","1.058","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4514026","9.99","0.002","11.36","0.002","18.89","0.004","86.59","0.03","85.63","0.03","67.69","0.03","1976.4","0.8","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H53 N O2 Si Sn -","- C45 H53 N O2 Si Sn -","- C90 H106 N2 O4 Si2 Sn2 -","2","1","","Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron","Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes","ACS Catalysis","2017","7","3","1853","","10.1021/acscatal.6b03306","","","0.71073","MoKα","","0.033","0.0311","","","0.0783","0.0791","","","","","","1.067","","","","has coordinates","193399","2020-10-21","18:00:00",""
"4514027","16.5344","0.0008","9.4279","0.0005","20.9981","0.0012","90","","90","","90","","3273.3","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H23 N3 O3 -","- C15 H23 N3 O3 -","- C120 H184 N24 O24 -","8","1","","Bai, He-Yuan; Ma, Zhi-Gang; Yi, Min; Lin, Jun-Bing; Zhang, Shu-Yu","Palladium-Catalyzed Direct Intermolecular Amination of Unactivated Methylene C(sp3)–H Bonds with Azodiformates via Bidentate-Chelation Assistance","ACS Catalysis","2017","7","3","2042","","10.1021/acscatal.6b03621","","","1.54178","CuKα","","0.0563","0.0465","","","0.1339","0.1437","","","","","","0.982","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514028","23.6464","0.0007","24.1857","0.0006","24.249","0.0008","90","","116.899","0.002","90","","12367.7","0.7","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56.25 H50.5 F12 N10 O4.75 P2 Ru2 -","- C56.25 H50.5 F12 N10 O4.75 P2 Ru2 -","- C450 H404 F96 N80 O38 P16 Ru16 -","8","1","","Odrobina, Jann; Scholz, Julius; Pannwitz, Andrea; Francàs, Laia; Dechert, Sebastian; Llobet, Antoni; Jooss, Christian; Meyer, Franc","Backbone Immobilization of the Bis(bipyridyl)pyrazolate Diruthenium Catalyst for Electrochemical Water Oxidation","ACS Catalysis","2017","7","3","2116","","10.1021/acscatal.6b02860","","","0.71073","MoKα","","0.0928","0.0586","","","0.1374","0.1511","","","","","","0.989","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4514029","18.7376","0.0007","22.1944","0.0008","15.7519","0.0006","90","","90.788","0.003","90","","6550.1","0.4","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C61 H60 F12 N10 O7 P2 Ru2 -","- C61 H60 F12 N10 O7 P2 Ru2 -","- C244 H240 F48 N40 O28 P8 Ru8 -","4","0.5","","Odrobina, Jann; Scholz, Julius; Pannwitz, Andrea; Francàs, Laia; Dechert, Sebastian; Llobet, Antoni; Jooss, Christian; Meyer, Franc","Backbone Immobilization of the Bis(bipyridyl)pyrazolate Diruthenium Catalyst for Electrochemical Water Oxidation","ACS Catalysis","2017","7","3","2116","","10.1021/acscatal.6b02860","","","0.71073","MoKα","","0.0558","0.0419","","","0.1087","0.1143","","","","","","1.028","","","","has coordinates,has disorder","193401","2020-10-21","18:00:00",""
"4514030","11.2326","0.001","11.336","0.001","16.1197","0.0014","78.107","0.001","72.51","0.001","67.279","0.001","1796.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","(dppf)Ni(SCF2)","","","- C42 H36 F2 Fe Ni P2 S -","- C42 H36 F2 Fe Ni P2 S -","- C84 H72 F4 Fe2 Ni2 P4 S2 -","2","1","","Kalvet, Indrek; Guo, Qianqian; Tizzard, Graham J.; Schoenebeck, Franziska","When Weaker Can Be Tougher: The Role of Oxidation State (I) in P- vs N-Ligand-Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl Halides.","ACS catalysis","2017","7","3","2126","2132","10.1021/acscatal.6b03344","","","0.71073","MoKα","","0.0422","0.0345","","","0.0812","0.0849","","","","","","1.028","","","","has coordinates","194774","2020-10-21","18:00:00",""
"4514031","8.9532","0.0002","10.0303","0.0003","20.4331","0.0011","91.917","0.003","99.127","0.004","94.971","0.002","1802.83","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 Fe I2 Ni P2 -","- C40 H34 Fe I2 Ni P2 -","- C80 H68 Fe2 I4 Ni2 P4 -","2","1","","Kalvet, Indrek; Guo, Qianqian; Tizzard, Graham J.; Schoenebeck, Franziska","When Weaker Can Be Tougher: The Role of Oxidation State (I) in P- vs N-Ligand-Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl Halides.","ACS catalysis","2017","7","3","2126","2132","10.1021/acscatal.6b03344","","x-ray","0.71073","MoKα","","0.0454","0.0415","","","0.0863","0.0878","","","","","","1.071","","","","has coordinates","194774","2020-10-21","18:00:00",""
"4514037","11.2473","0.0003","18.5148","0.0006","26.3786","0.0008","90","","97.2988","0.0013","90","","5448.6","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54.5 H45 Ag4 Cl5 O10 -","- C54.5 H45 Ag4 Cl5 O10 -","- C218 H180 Ag16 Cl20 O40 -","4","1","","Zhou, Zhen; He, Cheng; Yang, Lu; Wang, Yefei; Liu, Tao; Duan, Chunying","Alkyne Activation by a Porous Silver Coordination Polymer for Heterogeneous Catalysis of Carbon Dioxide Cycloaddition","ACS Catalysis","2017","7","3","2248","","10.1021/acscatal.6b03404","","","0.71073","MoKα","","0.1489","0.1043","","","0.2712","0.2948","","","","","","1.015","","","","has coordinates,has disorder","193402","2020-10-21","18:00:00",""
"4514038","26.064","0.003","19.397","0.002","11.0996","0.0012","90","","97.166","0.002","90","","5567.7","1.1","220","2","220","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 Ag2 O6 -","- C15 H12 Ag2 O6 -","- C120 H96 Ag16 O48 -","8","1","","Zhou, Zhen; He, Cheng; Yang, Lu; Wang, Yefei; Liu, Tao; Duan, Chunying","Alkyne Activation by a Porous Silver Coordination Polymer for Heterogeneous Catalysis of Carbon Dioxide Cycloaddition","ACS Catalysis","2017","7","3","2248","","10.1021/acscatal.6b03404","","","0.71073","MoKα","","0.0769","0.0661","","","0.1864","0.1952","","","","","","1.116","","","","has coordinates","193402","2020-10-21","18:00:00",""
"4514040","7.20833","0.00016","12.3392","0.0003","14.6278","0.0005","90","","93.647","0.002","90","","1298.44","0.06","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H18 Cl6 N O5 V -","- C24 H18 Cl6 N O5 V -","- C48 H36 Cl12 N2 O10 V2 -","2","1","","Miceli, Claudia; Rintjema, Jeroen; Martin, Eddy; Escudero-Adán, Eduardo C.; Zonta, Cristiano; Licini, Giulia; Kleij, Arjan W.","Vanadium(V) Catalysts with High Activity for the Coupling of Epoxides and CO2: Characterization of a Putative Catalytic Intermediate","ACS Catalysis","2017","7","4","2367","","10.1021/acscatal.7b00109","","","0.7107","MoKα","","0.0328","0.0269","","","0.0609","0.063","","","","","","0.947","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514041","7.1728","0.0012","13.0626","0.0015","28.541","0.004","90","","96.136","0.005","90","","2658.8","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 Cl7 N O5 V -","- C24 H17 Cl7 N O5 V -","- C96 H68 Cl28 N4 O20 V4 -","4","1","","Miceli, Claudia; Rintjema, Jeroen; Martin, Eddy; Escudero-Adán, Eduardo C.; Zonta, Cristiano; Licini, Giulia; Kleij, Arjan W.","Vanadium(V) Catalysts with High Activity for the Coupling of Epoxides and CO2: Characterization of a Putative Catalytic Intermediate","ACS Catalysis","2017","7","4","2367","","10.1021/acscatal.7b00109","","","0.71073","MoKα","","0.1184","0.0784","","","0.1772","0.1935","","","","","","1.089","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4514051","12.37","0.0004","45.6483","0.0014","12.6634","0.0004","90","","97.6938","0.0009","90","","7086.3","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H30 F5 N2 P -","- C44 F5 N2 P -","- C88 F10 N4 P2 -","2","1","","Paioti, Paulo H. S.; Abboud, Khalil A.; Aponick, Aaron","Incorporation of Axial Chirality into Phosphino-Imidazoline Ligands for Enantioselective Catalysis","ACS Catalysis","2017","7","3","2133","","10.1021/acscatal.7b00133","","","0.71073","MoKα","","0.0551","0.0403","","","0.0835","0.0873","","","","","","0.959","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4514052","15.3662","0.0017","16.9466","0.0019","27.676","0.003","90","","92.693","0.002","90","","7199","1.4","296","2","296","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C78 H65 Br0.69 Cl0.31 F6 P5 Pd3 Sb -","- C78 H65 Br0.69 Cl0.31 F6 P5 Pd3 Sb -","- C312 H260 Br2.76 Cl1.24 F24 P20 Pd12 Sb4 -","4","1","","Fu, Fangyu; Xiang, Ji; Cheng, Hao; Cheng, Longjiu; Chong, Hanbao; Wang, Shuxin; Li, Peng; Wei, Shiqiang; Zhu, Manzhou; Li, Yadong","A Robust and Efficient Pd3 Cluster Catalyst for the Suzuki Reaction and Its Odd Mechanism","ACS Catalysis","2017","7","3","1860","","10.1021/acscatal.6b02527","","","0.71073","MoKα","","0.0839","0.0455","","","0.1137","0.1319","","","","","","0.996","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4514053","9.93","0.002","14.88","0.003","15.29","0.003","91","0.03","91.6","0.03","98.1","0.03","2235.3","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H64 B Ge N O3 Si -","- C50 H64 B Ge N O3 Si -","- C100 H128 B2 Ge2 N2 O6 Si2 -","2","1","","Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron","Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido–Germanium(II) and −Tin(II) Hydride Complexes","ACS Catalysis","2017","7","3","1853","","10.1021/acscatal.6b03306","","","0.71073","MoKα","","0.0712","0.0671","","","0.1708","0.1733","","","","","","1.082","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4514054","31.052","0.002","19.593","0.002","17.8613","0.0016","90","","105.933","0.006","90","","10449.4","1.6","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C101 H134 Ge2 N2 O2 Si2 -","- C95 H120 Ge2 N2 O2 Si2 -","- C380 H480 Ge8 N8 O8 Si8 -","4","0.5","","Hadlington, Terrance J.; Kefalidis, Christos E.; Maron, Laurent; Jones, Cameron","Efficient Reduction of Carbon Dioxide to Methanol Equivalents Catalyzed by Two-Coordinate Amido‒Germanium(II) and −Tin(II) Hydride Complexes","ACS Catalysis","2017","7","3","1853","","10.1021/acscatal.6b03306","","","0.71073","MoKα","","0.2303","0.0842","","","0.161","0.1989","","","","","","0.786","","","","has coordinates","192847","2020-10-21","18:00:00",""
"4514055","10.9061","0.0007","12.6404","0.0008","28.3159","0.0018","90","","90","","90","","3903.6","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H36 N2 O5 S2 -","- C38 H36 N2 O5 S2 -","- C152 H144 N8 O20 S8 -","4","1","","Feng, Jian-Jun; Zhang, Junliang","Rhodium-Catalyzed Stereoselective Intramolecular Tandem Reaction of Vinyloxiranes with Alkynes: Atom- and Step-Economical Synthesis of Multifunctional Mono-, Bi-, and Tricyclic Compounds","ACS Catalysis","2017","7","3","1533","","10.1021/acscatal.6b03399","","","0.71073","MoKα","","0.0705","0.0499","","","0.1394","0.1485","","","","","","1.108","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514056","8.1166","0.0005","13.77","0.0008","15.4267","0.0009","90","","90","","90","","1724.17","0.18","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N O3 S -","- C17 H21 N O3 S -","- C68 H84 N4 O12 S4 -","4","1","","Feng, Jian-Jun; Zhang, Junliang","Rhodium-Catalyzed Stereoselective Intramolecular Tandem Reaction of Vinyloxiranes with Alkynes: Atom- and Step-Economical Synthesis of Multifunctional Mono-, Bi-, and Tricyclic Compounds","ACS Catalysis","2017","7","3","1533","","10.1021/acscatal.6b03399","","","0.71073","MoKα","","0.0498","0.0358","","","0.0875","0.0956","","","","","","1.069","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514057","30.3732","0.0014","11.6836","0.0006","7.6516","0.0004","90","","90","","90","","2715.3","0.2","100","","100","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C25 H44 Mn N O3 P2 -","- C25 H44 Mn N O3 P2 -","- C100 H176 Mn4 N4 O12 P8 -","4","1","","Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Paul, Jean-François; Dumeignil, Franck; Gauvin, Régis M.","Manganese Pincer Complexes for the Base-Free, Acceptorless Dehydrogenative Coupling of Alcohols to Esters: Development, Scope, and Understanding","ACS Catalysis","2017","7","3","2022","","10.1021/acscatal.6b03554","","","0.71073","MoKα","","0.0386","0.0299","","","0.0575","0.0602","","","","","","1.038","","","","has coordinates","192850","2020-10-21","18:00:00",""
"4514058","17.2037","0.0018","14.6522","0.0017","19.066","0.002","90","","90","","90","","4806","0.9","299.72","","299.72","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H41 B Mn N O2 P2 -","- C18 H41 B Mn N O2 P2 -","- C144 H328 B8 Mn8 N8 O16 P16 -","8","1","","Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Paul, Jean-François; Dumeignil, Franck; Gauvin, Régis M.","Manganese Pincer Complexes for the Base-Free, Acceptorless Dehydrogenative Coupling of Alcohols to Esters: Development, Scope, and Understanding","ACS Catalysis","2017","7","3","2022","","10.1021/acscatal.6b03554","","","0.71073","MoKα","","0.0563","0.0357","","","0.0875","0.0988","","","","","","1.015","","","","has coordinates","192850","2020-10-21","18:00:00",""
"4514059","10.6335","0.0008","14.5777","0.0011","13.8441","0.001","90","","97.449","0.004","90","","2127.9","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H38 Mn N O2 P2 -","- C18 H38 Mn N O2 P2 -","- C72 H152 Mn4 N4 O8 P8 -","4","1","","Nguyen, Duc Hanh; Trivelli, Xavier; Capet, Frédéric; Paul, Jean-François; Dumeignil, Franck; Gauvin, Régis M.","Manganese Pincer Complexes for the Base-Free, Acceptorless Dehydrogenative Coupling of Alcohols to Esters: Development, Scope, and Understanding","ACS Catalysis","2017","7","3","2022","","10.1021/acscatal.6b03554","","","0.71073","MoKα","","0.0596","0.0352","","","0.0718","0.079","","","","","","1.019","","","","has coordinates","192850","2020-10-21","18:00:00",""
"4514060","9.6075","0.0011","10.9191","0.0013","17.624","0.002","96.565","0.002","105.405","0.002","103.759","0.002","1699.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","(dppf)Ni(I)Br","","","- C40 H34 Br Fe Ni P2 -","- C40 H34 Br Fe Ni P2 -","- C80 H68 Br2 Fe2 Ni2 P4 -","2","1","","Kalvet, Indrek; Guo, Qianqian; Tizzard, Graham J.; Schoenebeck, Franziska","When Weaker Can Be Tougher: The Role of Oxidation State (I) in P- vs N-Ligand-Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl Halides.","ACS catalysis","2017","7","3","2126","2132","10.1021/acscatal.6b03344","","","0.71073","MoKα","","0.0541","0.0383","","","0.0812","0.0872","","","","","","1.009","","","","has coordinates","194774","2020-10-21","18:00:00",""
"4514061","23.6771","0.0005","13.9547","0.0003","19.1841","0.0004","90","","90.394","0.002","90","","6338.4","0.2","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C72 H64 Fe2 I2 Ni2 O P4 -","- C72 H64 Fe2 I2 Ni2 O P4 -","- C288 H256 Fe8 I8 Ni8 O4 P16 -","4","0.5","","Kalvet, Indrek; Guo, Qianqian; Tizzard, Graham J.; Schoenebeck, Franziska","When Weaker Can Be Tougher: The Role of Oxidation State (I) in P- vs N-Ligand-Derived Ni-Catalyzed Trifluoromethylthiolation of Aryl Halides.","ACS catalysis","2017","7","3","2126","2132","10.1021/acscatal.6b03344","","x-ray","0.71075","MoKα","","0.0609","0.0395","","","0.0735","0.0798","","","","","","1.017","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4514062","7.3719","0.0003","8.0356","0.0003","12.4786","0.0005","82.255","0.002","78.93","0.002","86.099","0.002","718.16","0.05","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C36 H34 N2 O4 -","2","1","","Wu, Xiaowei; Wang, Bao; Zhou, Shengbin; Zhou, Yu; Liu, Hong","Ruthenium-Catalyzed Redox-Neutral [4 + 1] Annulation of Benzamides and Propargyl Alcohols via C–H Bond Activation","ACS Catalysis","2017","7","4","2494","","10.1021/acscatal.7b00031","","","0.71073","MoKα","","0.0462","0.0416","","","0.1209","0.1264","","","","","","1.07","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514063","14.191","0.0005","14.4097","0.0005","18.8529","0.0006","90","","90.638","0.002","90","","3855","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","hhy3-51","","","- C30 H64 Br2 P2 Pd2 -","- C30 H64 Br2 P2 Pd2 -","- C120 H256 Br8 P8 Pd8 -","4","1","","Hu, Huaiyuan; Qu, Fengrui; Gerlach, Deidra L.; Shaughnessy, Kevin H.","Mechanistic Study of the Role of Substrate Steric Effects and Aniline Inhibition on the Bis(trineopentylphosphine)palladium(0)-Catalyzed Arylation of Aniline Derivatives","ACS Catalysis","2017","7","4","2516","","10.1021/acscatal.7b00024","","","0.71073","MoKα","","0.0453","0.0316","","","0.0727","0.0796","","","","","","1.032","","","","has coordinates,has disorder","196106","2020-10-21","18:00:00",""
"4514064","9.5914","0.0003","12.2401","0.0003","13.6152","0.0004","114.515","0.001","94.093","0.001","92.143","0.001","1446.66","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H88 Br2 Cl4 P2 Pd2 -","- C48.0014 H88.0028 Br2 Cl4.0028 P2 Pd2 -","- C48.0014 H88.0028 Br2 Cl4.0028 P2 Pd2 -","1","0.5","","Hu, Huaiyuan; Qu, Fengrui; Gerlach, Deidra L.; Shaughnessy, Kevin H.","Mechanistic Study of the Role of Substrate Steric Effects and Aniline Inhibition on the Bis(trineopentylphosphine)palladium(0)-Catalyzed Arylation of Aniline Derivatives","ACS Catalysis","2017","7","4","2516","","10.1021/acscatal.7b00024","","","0.71073","MoKα","","0.0363","0.025","","","0.0581","0.0623","","","","","","1.016","","","","has coordinates,has disorder","196106","2020-10-21","18:00:00",""
"4514071","9.5611","0.0008","9.7674","0.0007","44.019","0.003","90","","90","","90","","4110.8","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 Br N2 O2 -","- C25 H19 Br N2 O2 -","- C200 H152 Br8 N16 O16 -","8","2","","Wang, Shoulei; Izquierdo, Javier; Rodríguez-Escrich, Carles; Pericàs, Miquel A.","Asymmetric [4 + 2] Annulation Reactions Catalyzed by a Robust, Immobilized Isothiourea","ACS Catalysis","2017","7","4","2780","","10.1021/acscatal.7b00360","","","0.71073","MoKα","","0.0775","0.0567","","","0.1386","0.151","","","","","","1.033","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514072","6.2831","0.0005","10.506","0.0007","28.682","0.002","90","","90","","90","","1893.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 N O2 S -","- C24 H17 N O2 S -","- C96 H68 N4 O8 S4 -","4","1","","Wang, Shoulei; Izquierdo, Javier; Rodríguez-Escrich, Carles; Pericàs, Miquel A.","Asymmetric [4 + 2] Annulation Reactions Catalyzed by a Robust, Immobilized Isothiourea","ACS Catalysis","2017","7","4","2780","","10.1021/acscatal.7b00360","","","0.71073","MoKα","","0.0658","0.049","","","0.1051","0.1107","","","","","","1.105","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514080","12.47076","0.00008","21.63215","0.00013","13.10657","0.00008","90","","99.47","0.0006","90","","3487.57","0.04","100","0.3","100","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H52 N2 O2 Pd -","- C38 H52 N2 O2 Pd -","- C152 H208 N8 O8 Pd4 -","4","1","","Kim, Jaewoon; Hong, Soon Hyeok","Ligand-Promoted Direct C‒H Arylation of Simple Arenes: Evidence for a Cooperative Bimetallic Mechanism","ACS Catalysis","2017","7","5","3336","","10.1021/acscatal.7b00397","","x-ray","1.54184","CuKα","","0.0259","0.0247","","","0.0608","0.0616","","","","","","1.03","","","","has coordinates","197385","2020-10-21","18:00:00",""
"4514083","6.3295","0.001","12.336","0.002","14.619","0.002","90.792","0.01","95.813","0.009","96.114","0.01","1128.8","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H29 N O3 -","- C28 H29 N O3 -","- C56 H58 N2 O6 -","2","1","","Esguerra, Kenneth Virgel N.; Lumb, Jean-Philip","A Bioinspired Catalytic Aerobic Functionalization of Phenols: Regioselective Construction of Aromatic C–N and C–O Bonds","ACS Catalysis","2017","7","5","3477","","10.1021/acscatal.7b00437","","x-ray","1.34139","GaKα","","0.1209","0.0746","","","0.188","0.219","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514084","9.7185","0.0003","15.9184","0.0004","15.9702","0.0004","88.541","0.001","87.598","0.001","85.097","0.001","2458.84","0.12","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H25 N O4 -","- C33 H25 N O4 -","- C132 H100 N4 O16 -","4","2","","Esguerra, Kenneth Virgel N.; Lumb, Jean-Philip","A Bioinspired Catalytic Aerobic Functionalization of Phenols: Regioselective Construction of Aromatic C–N and C–O Bonds","ACS Catalysis","2017","7","5","3477","","10.1021/acscatal.7b00437","","x-ray","1.34139","GaKα","","0.0525","0.0484","","","0.1216","0.1245","","","","","","1.106","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514085","10.0098","0.0005","19.235","0.001","13.3175","0.0007","90","","91.572","0.002","90","","2563.2","0.2","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H23 F2 N O5 -","- C34 H23 F2 N O5 -","- C136 H92 F8 N4 O20 -","4","2","","Esguerra, Kenneth Virgel N.; Lumb, Jean-Philip","A Bioinspired Catalytic Aerobic Functionalization of Phenols: Regioselective Construction of Aromatic C–N and C–O Bonds","ACS Catalysis","2017","7","5","3477","","10.1021/acscatal.7b00437","","x-ray","1.34139","GaKα","","0.0465","0.0462","","","0.1216","0.1219","","","","","","1.08","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514090","4.88608","0.00008","39.9585","0.0006","9.27521","0.00015","90","","91.1105","0.0015","90","","1810.56","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C100 H76 N4 O8 -","4","1","","Herlé, Bart; Holstein, Philipp M.; Echavarren, Antonio M.","Stereoselective cis-Vinylcyclopropanation via a Gold(I)-Catalyzed Retro-Buchner Reaction under Mild Conditions.","ACS catalysis","2017","7","5","3668","3675","10.1021/acscatal.7b00737","","","0.7107","MoKα","","0.1348","0.091","","","0.2494","0.2737","","","","","","1.048","","","","has coordinates,has disorder","197386","2020-10-21","18:00:00",""
"4514091","9.8574","0.0004","10.5363","0.0004","19.098","0.0006","83.974","0.003","85.964","0.003","69.875","0.004","1850.88","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C100 H76 N4 O8 -","4","2","","Herlé, Bart; Holstein, Philipp M.; Echavarren, Antonio M.","Stereoselective cis-Vinylcyclopropanation via a Gold(I)-Catalyzed Retro-Buchner Reaction under Mild Conditions.","ACS catalysis","2017","7","5","3668","3675","10.1021/acscatal.7b00737","","","0.7107","MoKα","","0.0795","0.0491","","","0.1309","0.1458","","","","","","1.052","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4514096","5.9658","0.0002","6.8587","0.0003","26.877","0.001","90","","90","","90","","1099.74","0.07","293.52","0.1","293.52","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 O5 -","- C12 H10 O5 -","- C48 H40 O20 -","4","1","","Ji, Jie; Lin, Lili; Tang, Qiong; Kang, Tengfei; Liu, Xiaohua; Feng, Xiaoming","Highly Efficient Asymmetric Synthesis of Chiral γ-Alkenyl Butenolides Catalyzed by Chiral N,N′-Dioxide‒Scandium(III) Complexes","ACS Catalysis","2017","7","6","3763","","10.1021/acscatal.7b00590","","x-ray","1.54184","CuKα","","0.0529","0.0509","","","0.1384","0.1424","","","","","","1.072","","","","has coordinates","197390","2020-10-21","18:00:00",""
"4514100","13.578","0.008","13.579","0.01","13.733","0.011","91.45","0.02","100.63","0.02","115.95","0.019","2222","3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H54 F18 N12 O4 P3 Ru2 -","- C60 H54 F18 N12 O4 P3 Ru2 -","- C60 H54 F18 N12 O4 P3 Ru2 -","1","0.5","","Fan, Ting; Duan, Lele; Huang, Ping; Chen, Hong; Daniel, Quentin; Ahlquist, Mårten S. G.; Sun, Licheng","The Ru-tpc Water Oxidation Catalyst and Beyond: Water Nucleophilic Attack Pathway versus Radical Coupling Pathway","ACS Catalysis","2017","7","4","2956","","10.1021/acscatal.6b03393","","","0.71073","MoKα","","0.1651","0.1007","","","0.2554","0.2951","","","","","","1.125","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514101","8.2698","0.0007","10.9458","0.0009","14.8705","0.0015","98.19","0.006","90.641","0.003","110.333","0.003","1246.6","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H39 Cl2 Co N P2 -","- C21 H39 Cl2 Co N P2 -","- C42 H78 Cl4 Co2 N2 P4 -","2","1","","Daw, Prosenjit; Chakraborty, Subrata; Leitus, Gregory; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Selective N-Formylation of Amines with H2 and CO2 Catalyzed by Cobalt Pincer Complexes","ACS Catalysis","2017","7","4","2500","","10.1021/acscatal.7b00116","","","0.71073","MoKα","","0.0442","0.0317","","","0.0651","0.07","","","","","","1.034","","","","has coordinates","195916","2020-10-21","18:00:00",""
"4514102","14.2619","0.0007","8.3444","0.0004","19.9331","0.0011","90","","96.477","0.003","90","","2357","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 Cl Co N P2 -","- C21 H39 Cl Co N P2 -","- C84 H156 Cl4 Co4 N4 P8 -","4","1","","Daw, Prosenjit; Chakraborty, Subrata; Leitus, Gregory; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Selective N-Formylation of Amines with H2 and CO2 Catalyzed by Cobalt Pincer Complexes","ACS Catalysis","2017","7","4","2500","","10.1021/acscatal.7b00116","","","0.71073","MoKα","","0.0415","0.029","","","0.0624","0.0676","","","","","","1.023","","","","has coordinates","195916","2020-10-21","18:00:00",""
"4514103","18.5484","0.0009","15.0463","0.0007","16.1704","0.0008","90","","90","","90","","4512.9","0.4","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C50 H40 Cl N3 O P2 Ru -","- C50 H40 Cl N3 O P2 Ru -","- C200 H160 Cl4 N12 O4 P8 Ru4 -","4","0.5","","Sarbajna, Abir; Dutta, Indranil; Daw, Prosenjit; Dinda, Shrabani; Rahaman, S. M. Wahidur; Sarkar, Abheek; Bera, Jitendra K.","Catalytic Conversion of Alcohols to Carboxylic Acid Salts and Hydrogen with Alkaline Water","ACS Catalysis","2017","7","4","2786","","10.1021/acscatal.6b03259","","","0.71073","MoKα","","0.0347","0.0317","","","0.0799","0.0814","","","","","","1.109","","","","has coordinates","195917","2020-10-21","18:00:00",""
"4514104","14.2935","0.0009","18.4185","0.0011","22.7313","0.0013","90","","108.44","0.004","90","","5677.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H47 Cl5 N4 O P2 Ru -","- C54 H47 Cl5 N4 O P2 Ru -","- C216 H188 Cl20 N16 O4 P8 Ru4 -","4","1","","Sarbajna, Abir; Dutta, Indranil; Daw, Prosenjit; Dinda, Shrabani; Rahaman, S. M. Wahidur; Sarkar, Abheek; Bera, Jitendra K.","Catalytic Conversion of Alcohols to Carboxylic Acid Salts and Hydrogen with Alkaline Water","ACS Catalysis","2017","7","4","2786","","10.1021/acscatal.6b03259","","","0.71073","MoKα","","0.0965","0.0814","","","0.203","0.2122","","","","","","1.057","","","","has coordinates","195918","2020-10-21","18:00:00",""
"4514105","11.8324","0.0013","14.2246","0.0016","18.611","0.002","86.239","0.002","84.443","0.002","71.637","0.002","2956.9","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C59 H49 Cl5 N4 O2 P2 Ru2 -","- C59 H49 Cl5 N4 O2 P2 Ru2 -","- C118 H98 Cl10 N8 O4 P4 Ru4 -","2","1","","Sarbajna, Abir; Dutta, Indranil; Daw, Prosenjit; Dinda, Shrabani; Rahaman, S. M. Wahidur; Sarkar, Abheek; Bera, Jitendra K.","Catalytic Conversion of Alcohols to Carboxylic Acid Salts and Hydrogen with Alkaline Water","ACS Catalysis","2017","7","4","2786","","10.1021/acscatal.6b03259","","","0.71073","MoKα","","0.0636","0.0512","","","0.1173","0.1228","","","","","","1.047","","","","has coordinates","195919","2020-10-21","18:00:00",""
"4514106","8.4166","0.0003","11.03","0.0004","16.025","0.0006","84.085","0.002","76.9","0.002","69.246","0.002","1354.52","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H20 F3 N5 O6 Ru S -","- C29 H20 F3 N5 O6 Ru S -","- C58 H40 F6 N10 O12 Ru2 S2 -","2","1","","Kagalwala, Husain N.; Tong, Lianpeng; Zong, Ruifa; Kohler, Lars; Ahlquist, Mårten S. G.; Fan, Ting; Gagnon, Kevin J.; Thummel, Randolph P.","Evidence for Oxidative Decay of a Ru-Bound Ligand during Catalyzed Water Oxidation","ACS Catalysis","2017","7","4","2607","","10.1021/acscatal.6b03278","","","0.7749","synchrotron","","0.0472","0.0342","","","0.07","0.0746","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514107","8.8677","0.0002","10.0871","0.0002","14.1044","0.0002","90","","90","","90","","1261.63","0.04","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C52 H60 N4 O16 -","4","1","","Tukhvatshin, Rinat S.; Kucherenko, Alexander S.; Nelyubina, Yulia V.; Zlotin, Sergei G.","Tertiary Amine-Derived Ionic Liquid-Supported Squaramide as a Recyclable Organocatalyst for Noncovalent “On Water” Catalysis","ACS Catalysis","2017","7","4","2981","","10.1021/acscatal.7b00562","","","1.54178","CuKα","","0.0235","0.0234","","","0.0576","0.0577","","","","","","1.005","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514108","17.7576","0.001","12.9229","0.0007","12.7518","0.0007","90","","90","","90","","2926.3","0.3","100","2","100","2","","","","","","","","6","P b a m","-P 2 2ab","55","","(6,6'-dihydroxy-2,2'-bipyridine)-bromo-tricarbonyl-manganese(I)","","- C13 H8 Br Mn N2 O5 -","- C13 H8 Br Mn N2 O5 -","- C104 H64 Br8 Mn8 N16 O40 -","8","1","","Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R.","Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide","ACS Catalysis","2017","7","6","3864","","10.1021/acscatal.7b00943","","x-ray","0.71073","MoKα","","0.0535","0.0356","","","0.08","0.0852","","","","","","1.017","","","","has coordinates","197388","2020-10-21","18:00:00",""
"4514109","8.1795","0.0005","16.3907","0.0011","11.9305","0.0006","90","","90.478","0.005","90","","1599.44","0.17","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(6,6'-dimethoxy-2,2'-bipyridine)-bromo-tricarbonyl-manganese(I)","","- C15 H12 Br Mn N2 O5 -","- C15 H12 Br Mn N2 O5 -","- C60 H48 Br4 Mn4 N8 O20 -","4","1","","Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R.","Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide","ACS Catalysis","2017","7","6","3864","","10.1021/acscatal.7b00943","","x-ray","0.71073","MoKα","","0.0382","0.031","","","0.0727","0.0753","","","","","","1.033","","","","has coordinates","197388","2020-10-21","18:00:00",""
"4514110","7.5829","0.0002","9.6475","0.0003","20.0238","0.0005","90","","93.812","0.003","90","","1461.62","0.07","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(6,6'-diamino-2,2'-bipyridine)-bromo-tricarbonyl-manganese(I)","","- C13 H10 Br Mn N4 O3 -","- C13 H10 Br Mn N4 O3 -","- C52 H40 Br4 Mn4 N16 O12 -","4","1","","Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R.","Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide","ACS Catalysis","2017","7","6","3864","","10.1021/acscatal.7b00943","","x-ray","0.71073","MoKα","","0.0291","0.0241","","","0.0571","0.0585","","","","","","1.044","","","","has coordinates","197388","2020-10-21","18:00:00",""
"4514111","8.9121","0.00019","12.7125","0.0003","17.6682","0.0004","84.4838","0.0018","86.3815","0.0018","83.4002","0.0017","1976.5","0.08","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","(6,6'-dihydroxy-2,2'-bipyridine)-acetonitrile-tricarbonyl-manganese(I) triflate","","- C16 H11 F3 Mn N3 O8 S -","- C16 H11 F3 Mn N3 O8 S -","- C64 H44 F12 Mn4 N12 O32 S4 -","4","2","","Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R.","Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide","ACS Catalysis","2017","7","6","3864","","10.1021/acscatal.7b00943","","x-ray","0.71073","MoKα","","0.0332","0.0286","","","0.0717","0.0738","","","","","","1.061","","","","has coordinates","197388","2020-10-21","18:00:00",""
"4514112","8.19264","0.00016","11.4621","0.0003","23.0399","0.0005","90","","92.2861","0.0019","90","","2161.84","0.08","105","2","105","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(6,6'-dimethoxy-2,2'-bipyridine)-acetonitrile-tricarbonyl-manganese(I) triflate","","- C18 H15 F3 Mn N3 O8 S -","- C18 H15 F3 Mn N3 O8 S -","- C72 H60 F12 Mn4 N12 O32 S4 -","4","1","","Dubey, Abhishek; Nencini, Luca; Fayzullin, Robert R.; Nervi, Carlo; Khusnutdinova, Julia R.","Bio-Inspired Mn(I) Complexes for the Hydrogenation of CO2 to Formate and Formamide","ACS Catalysis","2017","7","6","3864","","10.1021/acscatal.7b00943","","x-ray","0.71073","MoKα","","0.0277","0.0253","","","0.0667","0.0678","","","","","","1.052","","","","has coordinates","197388","2020-10-21","18:00:00",""
"4514115","9.04501","0.00007","9.77593","0.00009","25.19795","0.00017","90","","92.5278","0.0007","90","","2225.92","0.03","175","","175","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H61 N O10 S Si -","- C44 H61 N O10 S Si -","- C88 H122 N2 O20 S2 Si2 -","2","1","","Liao, Yuting; Zhou, Baixin; Xia, Yong; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Asymmetric [3 + 2] Cycloaddition of 2,2′-Diester Aziridines To Synthesize Pyrrolidine Derivatives","ACS Catalysis","2017","7","6","3934","","10.1021/acscatal.7b00787","","x-ray","1.54184","CuKα","","0.0547","0.0532","","","0.1373","0.1394","","","","","","1.032","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514118","9.5931","0.0001","12.8055","0.0002","15.6673","0.0002","90","","102.15","0.001","90","","1881.53","0.04","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Cl N O2 S -","- C20 H24 Cl N O2 S -","- C80 H96 Cl4 N4 O8 S4 -","4","1","","Zhang, Hongwei; Muñiz, Kilian","Selective Piperidine Synthesis Exploiting Iodine-Catalyzed Csp3–H Amination under Visible Light","ACS Catalysis","2017","7","6","4122","","10.1021/acscatal.7b00928","","","0.7107","MoKα","","0.0413","0.0333","","","0.1001","0.1042","","","","","","1.036","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514119","16.4786","0.0007","7.779","0.0004","28.3488","0.0015","90","","90","","90","","3633.9","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C19 H22 N2 O4 S -","- C19 H22 N2 O4 S -","- C152 H176 N16 O32 S8 -","8","1","","Zhang, Hongwei; Muñiz, Kilian","Selective Piperidine Synthesis Exploiting Iodine-Catalyzed Csp3–H Amination under Visible Light","ACS Catalysis","2017","7","6","4122","","10.1021/acscatal.7b00928","","","0.71073","MoKα","","0.0673","0.0415","","","0.0881","0.0992","","","","","","1.018","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514120","13.316","0.002","20.47","0.003","6.2779","0.001","90","","101.369","0.004","90","","1677.6","0.4","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 -","- C25 H18 -","- C100 H72 -","4","1","","Yu, Liu-Zhu; Wei, Yin; Shi, Min","Synthesis of Polysubstituted Polycyclic Aromatic Hydrocarbons by Gold-Catalyzed Cyclization–Oxidation of Alkylidenecyclopropane-Containing 1,5-Enynes","ACS Catalysis","2017","7","7","4242","","10.1021/acscatal.7b00784","","","0.71073","MoKα","","0.0747","0.049","","","0.1205","0.1342","","","","","","1.021","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514121","9.3854","0.0018","9.6615","0.0018","11.064","0.002","87.814","0.004","68.304","0.004","85.999","0.004","929.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H17 Cl O -","- C24 H17 Cl O -","- C48 H34 Cl2 O2 -","2","1","","Yu, Liu-Zhu; Wei, Yin; Shi, Min","Synthesis of Polysubstituted Polycyclic Aromatic Hydrocarbons by Gold-Catalyzed Cyclization–Oxidation of Alkylidenecyclopropane-Containing 1,5-Enynes","ACS Catalysis","2017","7","7","4242","","10.1021/acscatal.7b00784","","","0.71073","MoKα","","0.0764","0.0534","","","0.1439","0.1602","","","","","","1.055","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514122","4.9712","0.0009","11.992","0.002","27.578","0.005","79.676","0.006","84.855","0.004","78.156","0.004","1580.6","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H16 S -","- C22 H16 S -","- C88 H64 S4 -","4","2","","Yu, Liu-Zhu; Wei, Yin; Shi, Min","Synthesis of Polysubstituted Polycyclic Aromatic Hydrocarbons by Gold-Catalyzed Cyclization‒Oxidation of Alkylidenecyclopropane-Containing 1,5-Enynes","ACS Catalysis","2017","7","7","4242","","10.1021/acscatal.7b00784","","","0.71073","MoKα","","0.1566","0.0987","","","0.238","0.2768","","","","","","1.052","","","","has coordinates,has disorder","200650","2020-10-21","18:00:00",""
"4514136","8.539","0.0002","15.0653","0.0004","32.9272","0.0009","90","","90","","90","","4235.84","0.19","270","2","270","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H27 Cl N3 O P Ru -","- C19 H27 Cl N3 O P Ru -","- C152 H216 Cl8 N24 O8 P8 Ru8 -","8","1","","Li, Huaifeng; Wang, Yuan; Lai, Zhiping; Huang, Kuo-Wei","Selective Catalytic Hydrogenation of Arenols by a Well-Defined Complex of Ruthenium and Phosphorus‒Nitrogen PN3‒Pincer Ligand Containing a Phenanthroline Backbone","ACS Catalysis","2017","7","7","4446","","10.1021/acscatal.7b01316","","","1.54178","CuKα","","0.0534","0.052","","","0.1367","0.1373","","","","","","1.022","","","","has coordinates","200651","2020-10-21","18:00:00",""
"4514137","8.4904","0.0001","16.3262","0.0003","17.4261","0.0003","90","","97.79","0.001","90","","2393.24","0.07","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 Cl N3 O2 P Ru -","- C22 H31 Cl N3 O2 P Ru -","- C88 H124 Cl4 N12 O8 P4 Ru4 -","4","1","","Li, Huaifeng; Wang, Yuan; Lai, Zhiping; Huang, Kuo-Wei","Selective Catalytic Hydrogenation of Arenols by a Well-Defined Complex of Ruthenium and Phosphorus‒Nitrogen PN3‒Pincer Ligand Containing a Phenanthroline Backbone","ACS Catalysis","2017","7","7","4446","","10.1021/acscatal.7b01316","","","0.71073","MoKα","","0.0335","0.0268","","","0.0671","0.0695","","","","","","1.059","","","","has coordinates","200651","2020-10-21","18:00:00",""
"4514139","14.93","0.002","11.5659","0.0017","15.258","0.0019","90","","101.808","0.004","90","","2579","0.6","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H28 N2 O6 S -","- C28 H28 N2 O6 S -","- C112 H112 N8 O24 S4 -","4","2","","Claraz, Aurélie; Serpier, Fabien; Darses, Sylvain","Organoboron Initiated Rh-Catalyzed Asymmetric Cascade Reactions: A Subtle Switch in Regioselectivity Leading to Chiral 3-Benzazepine Derivatives","ACS Catalysis","2017","7","5","3410","","10.1021/acscatal.7b00511","","","1.54178","CuKα","","0.055","0.0514","","","0.1412","0.145","","","","","","1.047","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514140","8.8643","0.0008","17.5771","0.0008","22.5359","0.0008","90","","90","","90","","3511.3","0.4","106.3","","106.3","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H30 F6 N2 O4 -","- C42 H30 F6 N2 O4 -","- C168 H120 F24 N8 O16 -","4","1","","Yang, Wenjun; Sun, Wei; Zhang, Cheng; Wang, Qijun; Guo, Zhenyan; Mao, Biming; Liao, Jianning; Guo, Hongchao","Lewis-Base-Catalyzed Asymmetric [3 + 3] Annulation Reaction of Morita–Baylis–Hillman Carbonates: Enantioselective Synthesis of Spirocyclohexenes","ACS Catalysis","2017","7","5","3142","","10.1021/acscatal.7b00320","","","1.5418","CuKα","","0.0383","0.0363","","","0.0889","0.0906","","","","","","1.016","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514141","9.035","0.002","5.7594","0.0015","13.277","0.003","90","","100.891","0.007","90","","678.4","0.3","100","2","100","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C18 H18 -","- C18 H18 -","- C36 H36 -","2","1","","Herlé, Bart; Holstein, Philipp M.; Echavarren, Antonio M.","Stereoselective cis-Vinylcyclopropanation via a Gold(I)-Catalyzed Retro-Buchner Reaction under Mild Conditions.","ACS catalysis","2017","7","5","3668","3675","10.1021/acscatal.7b00737","","","0.71073","MoKα","","0.0544","0.042","","","0.0989","0.1056","","","","","","1.05","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514142","11.6983","0.0003","13.0767","0.0003","13.6557","0.0005","90","","114.637","0.004","90","","1898.82","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 N O2 S -","- C21 H27 N O2 S -","- C84 H108 N4 O8 S4 -","4","1","","Zhang, Hongwei; Muñiz, Kilian","Selective Piperidine Synthesis Exploiting Iodine-Catalyzed Csp3–H Amination under Visible Light","ACS Catalysis","2017","7","6","4122","","10.1021/acscatal.7b00928","","","0.7107","MoKα","","0.0416","0.0369","","","0.0975","0.1006","","","","","","1.021","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514143","10.2375","0.0002","9.4009","0.0002","16.6135","0.0004","90","","98.412","0.002","90","","1581.71","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O2 S -","- C19 H21 N O2 S -","- C76 H84 N4 O8 S4 -","4","1","","Zhang, Hongwei; Muñiz, Kilian","Selective Piperidine Synthesis Exploiting Iodine-Catalyzed Csp3–H Amination under Visible Light","ACS Catalysis","2017","7","6","4122","","10.1021/acscatal.7b00928","","","0.7107","MoKα","","0.0519","0.036","","","0.0916","0.093","","","","","","0.963","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514154","7.8153","0.0007","11.0933","0.001","11.0932","0.0012","78.955","0.007","85.104","0.007","77.783","0.006","921.55","0.16","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H11 F5 N3 O7 V -","- C16 H11 F5 N3 O7 V -","- C32 H22 F10 N6 O14 V2 -","2","1","","Gazi, Sarifuddin; Đokić, Miloš; Moeljadi, Adhitya Mangala Putra; Ganguly, Rakesh; Hirao, Hajime; Soo, Han Sen","Kinetics and DFT Studies of Photoredox Carbon–Carbon Bond Cleavage Reactions by Molecular Vanadium Catalysts under Ambient Conditions","ACS Catalysis","2017","7","7","4682","","10.1021/acscatal.7b01036","","","0.71073","MoKα","","0.1149","0.0548","","","0.0998","0.1218","","","","","","0.981","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514158","7.1346","0.0003","14.8376","0.0006","15.0064","0.0006","90","","98.492","0.002","90","","1571.17","0.11","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H13 Cl3 O4 -","- C14 H13 Cl3 O4 -","- C56 H52 Cl12 O16 -","4","2","","Cruchter, Thomas; Medvedev, Michael G.; Shen, Xiaodong; Mietke, Thomas; Harms, Klaus; Marsch, Michael; Meggers, Eric","Asymmetric Nucleophilic Catalysis with an Octahedral Chiral-at-Metal Iridium(III) Complex","ACS Catalysis","2017","7","8","5151","","10.1021/acscatal.7b01296","","","0.71073","MoKα","","0.0292","0.0249","","","0.0525","0.0539","","","","","","1.036","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514159","8.809","0.003","15.299","0.005","16.461","0.005","90","","93.573","0.006","90","","2214.1","1.2","100","2","100.06","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H38 Si2 -","- C22 H38 Si2 -","- C88 H152 Si8 -","4","1","","Chen, Jiazhen; Gao, Yanshan; Xiong, Shuoyan; Delferro, Massimiliano; Lohr, Tracy L.; Marks, Tobin J.","Metal and Counteranion Nuclearity Effects in Organoscandium-Catalyzed Isoprene Polymerization and Copolymerization","ACS Catalysis","2017","7","8","5214","","10.1021/acscatal.7b01621","","","0.71073","MoKα","","0.0396","0.0318","","","0.0929","0.0988","","","","","","1.028","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514160","14.3075","0.0014","24.95","0.002","17.0373","0.0016","90","","98.009","0.006","90","","6022.5","1","100","2","100.05","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H100 O2 Sc2 Si6 -","- C48 H100 O2 Sc2 Si6 -","- C192 H400 O8 Sc8 Si24 -","4","1","","Chen, Jiazhen; Gao, Yanshan; Xiong, Shuoyan; Delferro, Massimiliano; Lohr, Tracy L.; Marks, Tobin J.","Metal and Counteranion Nuclearity Effects in Organoscandium-Catalyzed Isoprene Polymerization and Copolymerization","ACS Catalysis","2017","7","8","5214","","10.1021/acscatal.7b01621","","","0.71073","MoKα","","0.0988","0.0586","","","0.1292","0.1513","","","","","","1.079","","","","has coordinates,has disorder","200647","2020-10-21","18:00:00",""
"4514164","22.1203","0.0005","7.6123","0.0001","16.3803","0.0004","90","","127.077","0.004","90","","2200.58","0.14","290","2","290","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C55 H44 Cl2 N2 O4 -","- C55 H44 Cl2 N2 O4 -","- C110 H88 Cl4 N4 O8 -","2","0.5","","He, Congfa; Hou, Mengqing; Zhu, Zixi; Gu, Zhenhua","Enantioselective Synthesis of Indole-Based Biaryl Atropisomers via Palladium-Catalyzed Dynamic Kinetic Intramolecular C‒H Cyclization","ACS Catalysis","2017","7","8","5316","","10.1021/acscatal.7b01855","","","1.54184","CuKα","","0.0371","0.0365","","","0.1008","0.1017","","","","","","1.056","","","","has coordinates","200646","2020-10-21","18:00:00",""
"4514166","12.8527","0.0008","12.8527","0.0008","10.7921","0.0007","90","","90","","90","","1782.77","0.19","100","2","100","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C9 H14 O4 -","- C9 H14 O4 -","- C72 H112 O32 -","8","1","","Laserna, Victor; Martin, Eddy; Escudero-Adán, Eduardo C.; Kleij, Arjan W.","Substrate-Triggered Stereoselective Preparation of Highly Substituted Organic Carbonates","ACS Catalysis","2017","7","8","5478","","10.1021/acscatal.7b01748","","","0.71073","MoKα","","0.0337","0.0315","","","0.0862","0.0876","","","","","","1.115","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514167","6.5169","0.001","11.8049","0.0018","9.5214","0.0015","90","","105.261","0.005","90","","706.66","0.19","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 O4 -","- C7 H10 O4 -","- C28 H40 O16 -","4","1","","Laserna, Victor; Martin, Eddy; Escudero-Adán, Eduardo C.; Kleij, Arjan W.","Substrate-Triggered Stereoselective Preparation of Highly Substituted Organic Carbonates","ACS Catalysis","2017","7","8","5478","","10.1021/acscatal.7b01748","","","0.71073","MoKα","","0.0479","0.0386","","","0.0965","0.1005","","","","","","1.113","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514168","8.3814","0.0004","7.0296","0.0003","12.3499","0.0005","90","","96.2862","0.0012","90","","723.26","0.05","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 O4 -","- C7 H10 O4 -","- C28 H40 O16 -","4","1","","Laserna, Victor; Martin, Eddy; Escudero-Adán, Eduardo C.; Kleij, Arjan W.","Substrate-Triggered Stereoselective Preparation of Highly Substituted Organic Carbonates","ACS Catalysis","2017","7","8","5478","","10.1021/acscatal.7b01748","","","0.71073","MoKα","","0.0425","0.0381","","","0.0999","0.1034","","","","","","1.103","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514169","8.9232","0.0014","17.371","0.003","23.537","0.004","90","","90","","90","","3648.4","1.1","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H29 Cl F6 N2 O3 -","- C42 H29 Cl F6 N2 O3 -","- C168 H116 Cl4 F24 N8 O12 -","4","1","","Yang, Wenjun; Sun, Wei; Zhang, Cheng; Wang, Qijun; Guo, Zhenyan; Mao, Biming; Liao, Jianning; Guo, Hongchao","Lewis-Base-Catalyzed Asymmetric [3 + 3] Annulation Reaction of Morita–Baylis–Hillman Carbonates: Enantioselective Synthesis of Spirocyclohexenes","ACS Catalysis","2017","7","5","3142","","10.1021/acscatal.7b00320","","","0.71073","MoKα","","0.0556","0.0484","","","0.0952","0.099","","","","","","1.065","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4514173","16.2948","0.0006","17.0253","0.0007","20.361","0.0008","90","","103.07","0.001","90","","5502.3","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C55.5 H71 O10.5 Rh2 -","- C55.5 H71 O10.5 Rh2 -","- C222 H284 O42 Rh8 -","4","1","","Chen, Po-An; Setthakarn, Krit; May, Jeremy A.","A Binaphthyl-Based Scaffold for a Chiral Dirhodium(II) Biscarboxylate Ligand with α-Quaternary Carbon Centers","ACS Catalysis","2017","7","9","6155","","10.1021/acscatal.7b01388","","","1.54178","CuKα","","0.0271","0.0259","","","0.0648","0.0655","","","","","","1.061","","","","has coordinates,has disorder","200147","2020-10-21","18:00:00",""
"4514183","18.2889","0.0006","18.1841","0.0007","18.6875","0.0006","90","","111.842","0.003","90","","5768.7","0.4","99.93","","99.93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H96 O2 Sc2 Si6 -","- C46 H96 O2 Sc2 Si6 -","- C184 H384 O8 Sc8 Si24 -","4","1","","Chen, Jiazhen; Gao, Yanshan; Xiong, Shuoyan; Delferro, Massimiliano; Lohr, Tracy L.; Marks, Tobin J.","Metal and Counteranion Nuclearity Effects in Organoscandium-Catalyzed Isoprene Polymerization and Copolymerization","ACS Catalysis","2017","7","8","5214","","10.1021/acscatal.7b01621","","","1.54178","CuKα","","0.1182","0.082","","","0.2147","0.2436","","","","","","1.024","","","","has coordinates","200222","2020-10-21","18:00:00",""
"4514184","29.449","0.003","4.6494","0.0005","29.503","0.003","90","","103.649","0.003","90","","3925.5","0.7","100","2","99.98","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C19 H12 Au Cl0.25 F6 N O4 -","- C19 H12 Au Cl0.25 F6 N O4 -","- C152 H96 Au8 Cl2 F48 N8 O32 -","8","2","","Holmsen, Marte Sofie Martinsen; Nova, Ainara; Balcells, David; Langseth, Eirin; Øien-Ødegaard, Sigurd; Heyn, Richard H.; Tilset, Mats; Laurenczy, Gábor","trans-Mutation at Gold(III): A Mechanistic Study of a Catalytic Acetylene Functionalization via a Double Insertion Pathway","ACS Catalysis","2017","7","8","5023","","10.1021/acscatal.7b01364","","x-ray","0.71073","MoKα","","0.0529","0.0525","","","0.117","0.1172","","","","","","1.268","","","","has coordinates","200223","2020-10-21","18:00:00",""
"4514185","9.8901","0.0018","10.4204","0.0019","12.056","0.002","68.572","0.002","85.149","0.002","69.897","0.002","1084.9","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H21 O P -","- C25 H21 O P -","- C50 H42 O2 P2 -","2","1","","Toda, Yasunori; Sakamoto, Tomoyuki; Komiyama, Yutaka; Kikuchi, Ayaka; Suga, Hiroyuki","A Phosphonium Ylide as an Ionic Nucleophilic Catalyst for Primary Hydroxyl Group Selective Acylation of Diols","ACS Catalysis","2017","7","9","6150","","10.1021/acscatal.7b02281","","","0.71073","","","0.0454","0.0402","","","0.1289","0.133","","","","","","1.369","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514187","15.4176","0.0016","11.3505","0.0012","20.247","0.002","90","","90","","90","","3543.2","0.6","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H23 N O -","- C22 H23 N O -","- C176 H184 N8 O8 -","8","1","","Li, Yang; Hu, Ming; Li, Jin-Heng","Silver-Catalyzed Intermolecular [3 + 2]/[5 + 2] Annulation of N-Arylpropiolamides with Vinyl Acids: Facile Synthesis of Fused 2H-Benzo[b]azepin-2-ones","ACS Catalysis","2017","7","10","6757","","10.1021/acscatal.7b02061","","","0.71073","MoKα","","0.0713","0.0421","","","0.0979","0.1124","","","","","","1.024","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514188","6.3768","0.0006","10.567","0.0009","11.5596","0.001","108.484","0.003","92.159","0.003","106.084","0.003","703.06","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C36 H40 N4 O4 -","2","1","","Mampuys, Pieter; Neumann, Helfried; Sergeyev, Sergey; Orru, Romano V. A.; Jiao, Haijun; Spannenberg, Anke; Maes, Bert U. W.; Beller, Matthias","Combining Isocyanides with Carbon Dioxide in Palladium-Catalyzed Heterocycle Synthesis: N3-Substituted Quinazoline-2,4(1H,3H)-diones via a Three-Component Reaction","ACS Catalysis","2017","7","8","5549","","10.1021/acscatal.7b01503","","","1.54178","CuKα","","0.0396","0.0379","","","0.1029","0.1053","","","","","","1.032","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514189","10.3381","0.0003","12.1298","0.0003","12.7543","0.0003","98.7084","0.0007","97.6979","0.0007","101.969","0.0007","1523.79","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H22 N2 O2 -","- C16 H22 N2 O2 -","- C64 H88 N8 O8 -","4","2","","Mampuys, Pieter; Neumann, Helfried; Sergeyev, Sergey; Orru, Romano V. A.; Jiao, Haijun; Spannenberg, Anke; Maes, Bert U. W.; Beller, Matthias","Combining Isocyanides with Carbon Dioxide in Palladium-Catalyzed Heterocycle Synthesis: N3-Substituted Quinazoline-2,4(1H,3H)-diones via a Three-Component Reaction","ACS Catalysis","2017","7","8","5549","","10.1021/acscatal.7b01503","","","0.71073","MoKα","","0.0485","0.0397","","","0.0988","0.1065","","","","","","1.031","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514190","13.5317","0.0006","16.7932","0.0007","14.6934","0.0006","90","","95.148","0.002","90","","3325.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H52 Cl N O P4 W -","- C27 H52 Cl N O P4 W -","- C108 H208 Cl4 N4 O4 P16 W4 -","4","1","","Rudshteyn, Benjamin; Vibbert, Hunter B.; May, Richard; Wasserman, Eric; Warnke, Ingolf; Hopkins, Michael D.; Batista, Victor S.","Thermodynamic and Structural Factors That Influence the Redox Potentials of Tungsten‒Alkylidyne Complexes","ACS Catalysis","2017","7","9","6134","","10.1021/acscatal.7b01636","","","0.71073","MoKα","","0.0395","0.0209","","","0.0338","0.037","","","","","","1.076","","","","has coordinates,has disorder","200420","2020-10-21","18:00:00",""
"4514193","16.9652","0.0006","19.7318","0.0008","24.8974","0.0011","90","","90","","90","","8334.5","0.6","147","2","147","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37.21 H40.41 Cl2.41 Cu I N6 -","- C37.2095 H40.419 Cl2.419 Cu I N6 -","- C297.676 H323.352 Cl19.352 Cu8 I8 N48 -","8","2","","Wan, Kai Y.; Sung, Molly M. H.; Lough, Alan J.; Morris, Robert H.","Half-Sandwich Ruthenium Catalyst Bearing an Enantiopure Primary Amine Tethered to an N-Heterocyclic Carbene for Ketone Hydrogenation","ACS Catalysis","2017","7","10","6827","","10.1021/acscatal.7b02346","","","1.54178","CuKα","","0.0677","0.0528","","","0.1367","0.1484","","","","","","1.036","","","","has coordinates","202642","2020-10-21","18:00:00",""
"4514194","12.3832","0.0005","17.1052","0.0006","17.3844","0.0007","90","","106.111","0.002","90","","3537.7","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H43 Cl Ni P2 -","- C36 H35 Cl Ni P2 -","- C144 H140 Cl4 Ni4 P8 -","4","1","","Mifleur, Alexis; Mérel, Delphine S.; Mortreux, André; Suisse, Isabelle; Capet, Frédéric; Trivelli, Xavier; Sauthier, Mathieu; Macgregor, Stuart A.","Deciphering the Mechanism of the Nickel-Catalyzed Hydroalkoxylation Reaction: A Combined Experimental and Computational Study","ACS Catalysis","2017","7","10","6915","","10.1021/acscatal.7b00616","","","0.71073","MoKα","","0.0364","0.0301","","","0.0714","0.0747","","","","","","1.038","","","","has coordinates,has disorder","202644","2020-10-21","18:00:00",""
"4514195","10.3622","0.0004","11.0841","0.0003","13.1883","0.0005","100.947","0.002","102.623","0.002","105.014","0.002","1377.98","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H35 Cl Ni P2 -","- C32 H35 Cl Ni P2 -","- C64 H70 Cl2 Ni2 P4 -","2","1","","Mifleur, Alexis; Mérel, Delphine S.; Mortreux, André; Suisse, Isabelle; Capet, Frédéric; Trivelli, Xavier; Sauthier, Mathieu; Macgregor, Stuart A.","Deciphering the Mechanism of the Nickel-Catalyzed Hydroalkoxylation Reaction: A Combined Experimental and Computational Study","ACS Catalysis","2017","7","10","6915","","10.1021/acscatal.7b00616","","","0.71073","MoKα","","0.0539","0.0384","","","0.088","0.0954","","","","","","1.041","","","","has coordinates","202644","2020-10-21","18:00:00",""
"4514196","9.1605","0.0004","12.4145","0.0005","15.8667","0.0007","91.003","0.002","105.64","0.002","97.611","0.002","1719.61","0.13","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H52 Hf N2 -","- C39 H52 Hf N2 -","- C78 H104 Hf2 N4 -","2","1","","Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W.","Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization","ACS Catalysis","2017","7","10","6930","","10.1021/acscatal.7b02107","","","0.71073","MoKα","","0.0257","0.0213","","","0.0526","0.0534","","","","","","1.102","","","","has coordinates","202648","2020-10-21","18:00:00",""
"4514197","10.3324","0.0008","14.8323","0.0011","16.0844","0.0012","90","","97.923","0.003","90","","2441.5","0.3","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 Hf N2 -","- C28 H36 Hf N2 -","- C112 H144 Hf4 N8 -","4","1","","Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W.","Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization","ACS Catalysis","2017","7","10","6930","","10.1021/acscatal.7b02107","","","0.71073","MoKα","","0.0407","0.0287","","","0.057","0.0609","","","","","","1.063","","","","has coordinates","202648","2020-10-21","18:00:00",""
"4514198","11.0762","0.0007","11.953","0.0008","12.8362","0.0009","79.555","0.003","66.82","0.003","67.872","0.003","1446.09","0.17","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H40 Hf N2 -","- C33 H40 Hf N2 -","- C66 H80 Hf2 N4 -","2","1","","Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W.","Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization","ACS Catalysis","2017","7","10","6930","","10.1021/acscatal.7b02107","","","0.71073","MoKα","","0.019","0.0166","","","0.0417","0.043","","","","","","1.083","","","","has coordinates","202648","2020-10-21","18:00:00",""
"4514199","9.6947","0.0004","12.8143","0.0005","22.3108","0.0009","91.516","0.002","95.983","0.002","93.882","0.002","2748.7","0.19","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H38 Hf N2 -","- C32 H38 Hf N2 -","- C128 H152 Hf4 N8 -","4","2","","Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W.","Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization","ACS Catalysis","2017","7","10","6930","","10.1021/acscatal.7b02107","","","0.71073","MoKα","","0.041","0.0299","","","0.0598","0.0635","","","","","","1.042","","","","has coordinates","202648","2020-10-21","18:00:00",""
"4514200","9.3898","0.0005","10.7845","0.0006","13.8529","0.0007","87.005","0.002","78.576","0.002","86.78","0.003","1371.63","0.13","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H36 Hf N2 -","- C32 H36 Hf N2 -","- C64 H72 Hf2 N4 -","2","1","","Domski, Gregory J.; Eagan, James M.; De Rosa, Claudio; Di Girolamo, Rocco; LaPointe, Anne M.; Lobkovsky, Emil B.; Talarico, Giovanni; Coates, Geoffrey W.","Combined Experimental and Theoretical Approach for Living and Isoselective Propylene Polymerization","ACS Catalysis","2017","7","10","6930","","10.1021/acscatal.7b02107","","","0.71073","MoKα","","0.0186","0.0159","","","0.0388","0.0394","","","","","","1.076","","","","has coordinates","202648","2020-10-21","18:00:00",""
"4514201","8.2547","0.0002","11.7633","0.0002","28.9888","0.0007","90","","90","","90","","2814.89","0.11","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H30 Br N3 O4 -","- C30 H30 Br N3 O4 -","- C120 H120 Br4 N12 O16 -","4","1","","Jiang, Fei; Zhao, Dan; Yang, Xue; Yuan, Fu-Ru; Mei, Guang-Jian; Shi, Feng","Catalyst-Controlled Chemoselective and Enantioselective Reactions of Tryptophols with Isatin-Derived Imines","ACS Catalysis","2017","7","10","6984","","10.1021/acscatal.7b02279","","","1.54178","CuKα","","0.0529","0.0404","","","0.1009","0.1097","","","","","","1.025","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514202","9.6201","0.001","10.3131","0.0012","14.6525","0.0017","78.547","0.009","72.894","0.009","89.686","0.009","1359.6","0.3","296","","296","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Cl N3 O4 -","- C30 H30 Cl N3 O4 -","- C60 H60 Cl2 N6 O8 -","2","1","","Jiang, Fei; Zhao, Dan; Yang, Xue; Yuan, Fu-Ru; Mei, Guang-Jian; Shi, Feng","Catalyst-Controlled Chemoselective and Enantioselective Reactions of Tryptophols with Isatin-Derived Imines","ACS Catalysis","2017","7","10","6984","","10.1021/acscatal.7b02279","","","1.54178","CuKα","","0.1051","0.082","","","0.2112","0.2377","","","","","","1.044","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514205","9.6682","0.0005","10.6608","0.0004","48.1982","0.0018","90","","90","","90","","4967.8","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 Fe O3 -","- C31 H32 Fe O3 -","- C248 H256 Fe8 O24 -","8","2","","Larionov, Evgeny; Mastandrea, Marco M.; Pericàs, Miquel A.","Asymmetric Visible-Light Photoredox Cross-Dehydrogenative Coupling of Aldehydes with Xanthenes","ACS Catalysis","2017","7","10","7008","","10.1021/acscatal.7b02659","","","0.7107","MoKα","","0.117","0.0688","","","0.1322","0.1484","","","","","","1.031","","","","has coordinates","202647","2020-10-21","18:00:00",""
"4514206","38.935","0.009","8.5678","0.0006","28.446","0.007","90","","133.9","0.04","90","","6837","5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20.25 H24.25 Cl0.5 O2 -","- C20.25 H24.25 Cl0.5 O2 -","- C324 H388 Cl8 O32 -","16","2","","Larionov, Evgeny; Mastandrea, Marco M.; Pericàs, Miquel A.","Asymmetric Visible-Light Photoredox Cross-Dehydrogenative Coupling of Aldehydes with Xanthenes","ACS Catalysis","2017","7","10","7008","","10.1021/acscatal.7b02659","","","0.7107","MoKα","","0.1815","0.0915","","","0.2373","0.2838","","","","","","1.054","","","","has coordinates","202647","2020-10-21","18:00:00",""
"4514207","15.8414","0.0002","14.5592","0.0002","24.0253","0.0004","90","","90","","90","","5541.15","0.14","173","","173","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C21 H26 F6 Ir N3 O8 S2 -","- C21 H26 F6 Ir N3 O8 S2 -","- C168 H208 F48 Ir8 N24 O64 S16 -","8","1","","Fujita, Ken-ichi; Tamura, Ryuichi; Tanaka, Yuhi; Yoshida, Masato; Onoda, Mitsuki; Yamaguchi, Ryohei","Dehydrogenative Oxidation of Alcohols in Aqueous Media Catalyzed by a Water-Soluble Dicationic Iridium Complex Bearing a Functional N-Heterocyclic Carbene Ligand without Using Base","ACS Catalysis","2017","7","10","7226","","10.1021/acscatal.7b02560","","","0.71075","MoKα","","","0.0287","","","","0.0528","","","","","","1.069","","","","has coordinates","202646","2020-10-21","18:00:00",""
"4514208","9.5878","0.0015","10.2028","0.0016","11.8401","0.0018","83.082","0.003","88.989","0.003","83.868","0.003","1143.2","0.3","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C20 H25 F3 Ir N3 O5 S -","- C20 H25 F3 Ir N3 O5 S -","- C40 H50 F6 Ir2 N6 O10 S2 -","2","1","","Fujita, Ken-ichi; Tamura, Ryuichi; Tanaka, Yuhi; Yoshida, Masato; Onoda, Mitsuki; Yamaguchi, Ryohei","Dehydrogenative Oxidation of Alcohols in Aqueous Media Catalyzed by a Water-Soluble Dicationic Iridium Complex Bearing a Functional N-Heterocyclic Carbene Ligand without Using Base","ACS Catalysis","2017","7","10","7226","","10.1021/acscatal.7b02560","","","0.71075","MoKα","","","0.0332","","","","0.0447","","","","","","1.013","","","","has coordinates","202646","2020-10-21","18:00:00",""
"4514209","11.9189","0.0008","11.9269","0.0008","13.6776","0.0009","89.671","0.005","67.67","0.006","63.388","0.007","1575.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H32 Cl2 N6 -","- C35 H32 Cl2 N6 -","- C70 H64 Cl4 N12 -","2","1","","Zhou, Xukai; Luo, Yixin; Kong, Lingheng; Xu, Youwei; Zheng, Guangfan; Lan, Yu; Li, Xingwei","Cp*CoIII-Catalyzed Branch-Selective Hydroarylation of Alkynes via C–H Activation: Efficient Access to α-gem-Vinylindoles","ACS Catalysis","2017","7","10","7296","","10.1021/acscatal.7b02248","","","0.71073","MoKα","","0.0865","0.0585","","","0.1614","0.1908","","","","","","0.929","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514216","10.3642","0.00016","10.71104","0.00015","30.9626","0.0004","90","","90","","90","","3437.2","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H43 O P Si -","- C42 H43 O P Si -","- C168 H172 O4 P4 Si4 -","4","1","","Grosheva, Daria; Cramer, Nicolai","Ketene Aminal Phosphates: Competent Substrates for Enantioselective Pd(0)-Catalyzed C‒H Functionalizations","ACS Catalysis","2017","7","11","7417","","10.1021/acscatal.7b02783","","x-ray","1.54184","CuKα","","0.0255","0.0242","","","0.0605","0.0614","","","","","","1.039","","","","has coordinates","202650","2020-10-21","18:00:00",""
"4514217","4.7873","0.0001","12.3631","0.0002","25.26","0.0004","90","","90","","90","","1495.04","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H13 Cl2 N O -","- C18 H13 Cl2 N O -","- C72 H52 Cl8 N4 O4 -","4","1","","Grosheva, Daria; Cramer, Nicolai","Ketene Aminal Phosphates: Competent Substrates for Enantioselective Pd(0)-Catalyzed C–H Functionalizations","ACS Catalysis","2017","7","11","7417","","10.1021/acscatal.7b02783","","x-ray","1.54184","CuKα","","0.0335","0.0328","","","0.0848","0.0853","","","","","","1.095","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4514218","7.1369","0.0003","13.1737","0.0007","35.7724","0.0017","90","","90","","90","","3363.3","0.3","153","","153","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H6 F8 S2 -","- C20 H6 F8 S2 -","- C160 H48 F64 S16 -","8","1","","Wang, Junya; Meng, Ge; Xie, Kun; Li, Liting; Sun, Huaming; Huang, Zhiyan","Mild and Efficient Ni-Catalyzed Biaryl Synthesis with Polyfluoroaryl Magnesium Species: Verification of the Arrest State, Uncovering the Hidden Competitive Second Transmetalation and Ligand-Accelerated Highly Selective Monoarylation","ACS Catalysis","2017","7","11","7421","","10.1021/acscatal.7b02618","","","0.71073","MoKα","","0.0567","0.0419","","","0.0851","0.0898","","","","","","1.143","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514219","8.8663","0.0006","12.7576","0.0008","9.7375","0.0006","90","","112.848","0.002","90","","1015.01","0.11","153","","153","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H25 Cl F4 Mg O3 -","- C18 H25 Cl F4 Mg O3 -","- C36 H50 Cl2 F8 Mg2 O6 -","2","1","","Wang, Junya; Meng, Ge; Xie, Kun; Li, Liting; Sun, Huaming; Huang, Zhiyan","Mild and Efficient Ni-Catalyzed Biaryl Synthesis with Polyfluoroaryl Magnesium Species: Verification of the Arrest State, Uncovering the Hidden Competitive Second Transmetalation and Ligand-Accelerated Highly Selective Monoarylation","ACS Catalysis","2017","7","11","7421","","10.1021/acscatal.7b02618","","","0.71073","MoKα","","0.0443","0.0403","","","0.1059","0.1097","","","","","","1.05","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514220","39.6323","0.0016","11.1626","0.0004","19.9766","0.0008","90","","90","","90","","8837.6","0.6","273","","273.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C48 H30 F8 Ni O P2 -","- C48 H30 F8 Ni O P2 -","- C384 H240 F64 Ni8 O8 P16 -","8","1","","Wang, Junya; Meng, Ge; Xie, Kun; Li, Liting; Sun, Huaming; Huang, Zhiyan","Mild and Efficient Ni-Catalyzed Biaryl Synthesis with Polyfluoroaryl Magnesium Species: Verification of the Arrest State, Uncovering the Hidden Competitive Second Transmetalation and Ligand-Accelerated Highly Selective Monoarylation","ACS Catalysis","2017","7","11","7421","","10.1021/acscatal.7b02618","","","1.54178","CuKα","","0.048","0.0436","","","0.1305","0.1356","","","","","","1.023","","","","has coordinates","202658","2020-10-21","18:00:00",""
"4514221","7.7206","0.0003","10.8574","0.0004","19.0756","0.0007","90","","90.148","0.001","90","","1599.02","0.1","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 F4 O2 S2 -","- C17 H10 F4 O2 S2 -","- C68 H40 F16 O8 S8 -","4","1","","Wang, Junya; Meng, Ge; Xie, Kun; Li, Liting; Sun, Huaming; Huang, Zhiyan","Mild and Efficient Ni-Catalyzed Biaryl Synthesis with Polyfluoroaryl Magnesium Species: Verification of the Arrest State, Uncovering the Hidden Competitive Second Transmetalation and Ligand-Accelerated Highly Selective Monoarylation","ACS Catalysis","2017","7","11","7421","","10.1021/acscatal.7b02618","","","0.71073","MoKα","","0.0304","0.0276","","","0.0729","0.0747","","","","","","1.074","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514222","5.7087","0.0015","16.28","0.004","17.073","0.005","90","","90","","90","","1586.7","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 N8 O4 -","- C36 H32 N8 O4 -","- C72 H64 N16 O8 -","2","0.5","","Liao, Yun; Lu, Qianqian; Chen, Gui; Yu, Yinghua; Li, Chunsen; Huang, Xueliang","Rhodium-Catalyzed Azide–Alkyne Cycloaddition of Internal Ynamides: Regioselective Assembly of 5-Amino-Triazoles under Mild Conditions","ACS Catalysis","2017","7","11","7529","","10.1021/acscatal.7b02558","","","0.71073","MoKα","","0.0388","0.0337","","","0.0833","0.0864","","","","","","1.009","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514223","11.611","0.002","19.247","0.004","8.0285","0.0016","90","","107.27","0.03","90","","1713.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N4 O2 S -","- C17 H18 N4 O2 S -","- C68 H72 N16 O8 S4 -","4","1","","Liao, Yun; Lu, Qianqian; Chen, Gui; Yu, Yinghua; Li, Chunsen; Huang, Xueliang","Rhodium-Catalyzed Azide–Alkyne Cycloaddition of Internal Ynamides: Regioselective Assembly of 5-Amino-Triazoles under Mild Conditions","ACS Catalysis","2017","7","11","7529","","10.1021/acscatal.7b02558","","","0.71073","MoKα","","0.0469","0.0415","","","0.1115","0.1155","","","","","","1.045","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514224","5.9454","0.0003","23.5638","0.001","6.5353","0.0003","90","","104.593","0.004","90","","886.03","0.07","291","2","291","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 O2 -","- C10 H16 O2 -","- C40 H64 O8 -","4","1","","Zhu, Rui; Jiang, Ju-Long; Li, Xing-Long; Deng, Jin; Fu, Yao","A Comprehensive Study on Metal Triflate-Promoted Hydrogenolysis of Lactones to Carboxylic Acids: From Synthetic and Mechanistic Perspectives","ACS Catalysis","2017","7","11","7520","","10.1021/acscatal.7b01569","","","1.54184","CuKα","","0.0689","0.0644","","","0.1686","0.1724","","","","","","1.084","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514225","6.0866","0.0008","21.259","0.004","7.3676","0.001","90","","106.814","0.014","90","","912.6","0.3","290","2","290","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 O2 -","- C10 H16 O2 -","- C40 H64 O8 -","4","1","","Zhu, Rui; Jiang, Ju-Long; Li, Xing-Long; Deng, Jin; Fu, Yao","A Comprehensive Study on Metal Triflate-Promoted Hydrogenolysis of Lactones to Carboxylic Acids: From Synthetic and Mechanistic Perspectives","ACS Catalysis","2017","7","11","7520","","10.1021/acscatal.7b01569","","","1.54184","CuKα","","0.0727","0.0607","","","0.1637","0.1736","","","","","","1.076","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514226","27.734","0.002","9.9782","0.0005","18.5024","0.0011","90","","111.932","0.005","90","","4749.7","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H59 Cl3 Fe2 N2 Pd -","- C49 H59 Cl Fe2 N2 Pd -","- C196 H236 Cl4 Fe8 N8 Pd4 -","4","0.5","","Zhao, Minhui; Chen, Changle","Accessing Multiple Catalytically Active States in Redox-Controlled Olefin Polymerization","ACS Catalysis","2017","7","11","7490","","10.1021/acscatal.7b02564","","","1.54184","CuKα","","0.0619","0.0454","","","0.1162","0.1375","","","","","","1.065","","","","has coordinates,has disorder","202657","2020-10-21","18:00:00",""
"4514231","6.6244","0.0003","9.5477","0.0005","11.0255","0.0005","69.728","0.001","77.396","0.001","74.138","0.001","623.31","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 Br O2 S -","- C13 H11 Br O2 S -","- C26 H22 Br2 O4 S2 -","2","1","","Li, Yiming; Wang, Ming; Jiang, Xuefeng","Controllable Sulfoxidation and Sulfenylation with Organic Thiosulfate Salts via Dual Electron- and Energy-Transfer Photocatalysis","ACS Catalysis","2017","7","11","7587","","10.1021/acscatal.7b02735","","","0.71073","MoKα","","0.0375","0.0321","","","0.0855","0.0893","","","","","","1.052","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514232","6.2606","0.0006","7.9157","0.0007","45.636","0.005","90","","90","","90","","2261.6","0.4","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 O6 S -","- C26 H26 O6 S -","- C104 H104 O24 S4 -","4","1","","Wu, Zijun; Wang, Jian","Enantioselective Medium-Ring Lactone Synthesis through an NHC-Catalyzed Intramolecular Desymmetrization of Prochiral 1,3-Diols","ACS Catalysis","2017","7","11","7647","","10.1021/acscatal.7b02302","","","0.71073","MoKα","","0.0681","0.0606","","","0.1084","0.1123","","","","","","1.15","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514233","15.7631","0.0003","9.2957","0.0002","35.3175","0.0008","90","","95.742","0.002","90","","5149.07","0.19","100.01","0.1","100.01","0.1","","","","","","","","6","I 1 2/c 1","-I 2yc","15","","","","- C30 H32 Fe N P S -","- C30 H32 Fe N P S -","- C240 H256 Fe8 N8 P8 S8 -","8","1","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","x-ray","1.54184","CuKα","","0.0315","0.029","","","0.0745","0.0763","","","","","","1.054","","","","has coordinates","202659","2020-10-21","18:00:00",""
"4514234","18.433","0.006","8.274","0.003","18.909","0.007","90","","117.569","0.003","90","","2556.4","1.6","173","2","173.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 B Fe P S -","- C28 H32 B Fe P S -","- C112 H128 B4 Fe4 P4 S4 -","4","1","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","","0.71073","MoKα","","0.0518","0.037","","","0.0837","0.0918","","","","","","1.026","","","","has coordinates","202659","2020-10-21","18:00:00",""
"4514235","12.13","0.009","11.24","0.009","23.29","0.018","90","","96.035","0.013","90","","3158","4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 B Fe P S -","- C36 H44 B Fe P S -","- C144 H176 B4 Fe4 P4 S4 -","4","1","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","","0.71073","MoKα","","0.1512","0.0592","","","0.109","0.1374","","","","","","0.949","","","","has coordinates,has disorder","202659","2020-10-21","18:00:00",""
"4514236","17.451","0.004","19.304","0.005","20.241","0.005","90","","90","","90","","6819","3","173","2","173.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H41 Fe O P S -","- C42 H41 Fe O P S -","- C336 H328 Fe8 O8 P8 S8 -","8","1","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","","0.71","MoKα","","0.0804","0.0458","","","0.1226","0.1491","","","","","","0.94","","","","has coordinates","202659","2020-10-21","18:00:00",""
"4514237","10.13","0.002","14.433","0.003","16.554","0.004","90","","90","","90","","2420.3","0.9","173","2","173.15","","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C28 H29 Cl Fe P S -","- C28 H29 Cl Fe P S -","- C112 H116 Cl4 Fe4 P4 S4 -","4","1","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","","0.71","MoKα","","0.0314","0.0289","","","0.0722","0.0742","","","","","","1.04","","","","has coordinates","202659","2020-10-21","18:00:00",""
"4514238","10.1455","0.0006","14.4475","0.0009","16.7227","0.0012","90","","90","","90","","2451.2","0.3","173","2","173.15","","","","","","","","","6","P c 21 n","P -2n -2ac","33","","","","- C29 H29 Fe O P S -","- C29 H29 Fe O P S -","- C116 H116 Fe4 O4 P4 S4 -","4","1","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron‒Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","","0.71","MoKα","","0.0478","0.0347","","","0.0643","0.0682","","","","","","1.025","","","","has coordinates","202659","2020-10-21","18:00:00",""
"4514239","6.468","0.002","24.149","0.009","12.121","0.004","90","","101.11","0.016","90","","1857.8","1.1","173","2","173.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H25 B O3 -","- C20 H25 B O3 -","- C80 H100 B4 O12 -","4","2","","Song, Heng; Ye, Ke; Geng, Peiyu; Han, Xiao; Liao, Rongzhen; Tung, Chen-Ho; Wang, Wenguang","Activation of Epoxides by a Cooperative Iron–Thiolate Catalyst: Intermediacy of Ferrous Alkoxides in Catalytic Hydroboration","ACS Catalysis","2017","7","11","7709","","10.1021/acscatal.7b02527","","","0.71","MoKα","","0.116","0.0839","","","0.1856","0.2079","","","","","","0.958","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514246","9.5092","0.0006","12.3167","0.0008","15.9826","0.0008","90","","90","","90","","1871.91","0.19","290.56","0.1","290.56","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O2 S -","- C24 H18 O2 S -","- C96 H72 O8 S4 -","4","1","","Lu, Hong; Zhang, Jia-Lu; Liu, Jin-Yu; Li, Hong-Yu; Xu, Peng-Fei","N-Heterocyclic Carbene-Catalyzed Atom-Economical and Enantioselective Construction of the C–S Bond: Asymmetric Synthesis of Functionalized Thiochromans","ACS Catalysis","2017","7","11","7797","","10.1021/acscatal.7b02651","","","0.71073","MoKα","","0.0597","0.0484","","","0.096","0.1064","","","","","","1.047","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514247","9.3432","0.0005","12.1755","0.0006","14.6611","0.0008","90","","102.176","0.006","90","","1630.3","0.15","294.33","0.1","294.33","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","1","","Peng, Xie-Xue; Wei, Dian; Han, Wen-Jun; Chen, Fei; Yu, Wei; Han, Bing","Dioxygen Activation via Cu-Catalyzed Cascade Radical Reaction: An Approach to Isoxazoline/Cyclic Nitrone-Featured α-Ketols","ACS Catalysis","2017","7","11","7830","","10.1021/acscatal.7b03078","","x-ray","0.71073","MoKα","","0.1061","0.0565","","","0.1158","0.146","","","","","","1.073","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514248","6.417","0.0004","7.0536","0.001","10.791","0.0007","90","","93.618","0.007","90","","487.46","0.08","294.59","0.1","294.59","0.1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C11 H11 N O2 -","- C11 H11 N O2 -","- C22 H22 N2 O4 -","2","0.5","","Peng, Xie-Xue; Wei, Dian; Han, Wen-Jun; Chen, Fei; Yu, Wei; Han, Bing","Dioxygen Activation via Cu-Catalyzed Cascade Radical Reaction: An Approach to Isoxazoline/Cyclic Nitrone-Featured α-Ketols","ACS Catalysis","2017","7","11","7830","","10.1021/acscatal.7b03078","","x-ray","0.71073","MoKα","","0.1061","0.0605","","","0.1303","0.1713","","","","","","1.106","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514249","10.8566","0.0008","10.8566","0.0008","11.4924","0.0008","90","","90","","120","","1173.08","0.15","273.77","0.1","273.77","0.1","","","","","","","","4","P 32","P 32","145","","","","- C18 H17 N O3 -","- C18 H17 N O3 -","- C54 H51 N3 O9 -","3","1","","Peng, Xie-Xue; Wei, Dian; Han, Wen-Jun; Chen, Fei; Yu, Wei; Han, Bing","Dioxygen Activation via Cu-Catalyzed Cascade Radical Reaction: An Approach to Isoxazoline/Cyclic Nitrone-Featured α-Ketols","ACS Catalysis","2017","7","11","7830","","10.1021/acscatal.7b03078","","x-ray","0.71073","MoKα","","0.0767","0.0538","","","0.1017","0.1193","","","","","","1.088","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514250","5.6577","0.0002","8.9036","0.0002","32.5408","0.0008","90","","90","","90","","1639.21","0.08","301","2","300.68","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C80 H80 O16 -","4","1","","Su, Yong-Liang; Han, Zhi-Yong; Li, Yu-Hui; Gong, Liu-Zhu","Asymmetric Allylation of Furfural Derivatives: Synergistic Effect of Chiral Ligand and Organocatalyst on Stereochemical Control","ACS Catalysis","2017","7","11","7917","","10.1021/acscatal.7b02667","","","1.54178","CuKα","","0.0493","0.0461","","","0.1248","0.1292","","","","","","1.135","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514251","11.127","0.001","11.586","0.001","16.948","0.002","85.617","0.002","75.929","0.002","70.932","0.002","2003","0.3","173","1","173","1","","","","","","","","6","P -1","-P 1","2","","","","- C44 H37 Cl4 Ir O3 P2 -","- C44 H37 Cl4 Ir O3 P2 -","- C88 H74 Cl8 Ir2 O6 P4 -","2","1","","Cohen, Shirel; Borin, Veniamin; Schapiro, Igor; Musa, Sanaa; De-Botton, Sophie; Belkova, Natalia V.; Gelman, Dmitri","Ir(III)-PC(sp3)P Bifunctional Catalysts for Production of H2 by Dehydrogenation of Formic Acid: Experimental and Theoretical Study","ACS Catalysis","2017","7","12","8139","","10.1021/acscatal.7b02482","","","0.71073","MoKα","","0.0387","0.0362","","","0.082","0.0832","","","","","","1.095","","","","has coordinates","203980","2020-10-21","18:00:00",""
"4514252","13.554","0.002","25.997","0.004","13.478","0.002","90","","108.116","0.002","90","","4513.7","1.2","173","1","173","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 Cl Ir N O7 P2 -","- C44 H32 Cl Ir N O7 P2 -","- C176 H128 Cl4 Ir4 N4 O28 P8 -","4","1","","Cohen, Shirel; Borin, Veniamin; Schapiro, Igor; Musa, Sanaa; De-Botton, Sophie; Belkova, Natalia V.; Gelman, Dmitri","Ir(III)-PC(sp3)P Bifunctional Catalysts for Production of H2 by Dehydrogenation of Formic Acid: Experimental and Theoretical Study","ACS Catalysis","2017","7","12","8139","","10.1021/acscatal.7b02482","","","0.71073","MoKα","","0.082","0.0787","","","0.1748","0.1765","","","","","","1.304","","","","has coordinates","203980","2020-10-21","18:00:00",""
"4514253","8.323","0.002","11.108","0.002","11.747","0.003","95.97","0.018","98.14","0.02","94.164","0.018","1065","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 N4 O3 Pd -","- C24 H20 N4 O3 Pd -","- C48 H40 N8 O6 Pd2 -","2","1","","Deb, Arghya; Singh, Sukriti; Seth, Kapileswar; Pimparkar, Sandeep; Bhaskararao, Bangaru; Guin, Srimanta; Sunoj, Raghavan B.; Maiti, Debabrata","Experimental and Computational Studies on Remote γ-C(sp3)‒H Silylation and Germanylation of Aliphatic Carboxamides","ACS Catalysis","2017","7","12","8171","","10.1021/acscatal.7b03056","","x-ray","1.54184","CuKα","","0.2606","0.1739","","","0.3856","0.4866","","","","","","1.131","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4514278","16.3885","0.0003","16.597","0.0003","21.2038","0.0005","91.749","0.002","101.863","0.002","113.393","0.002","5139.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu2 Gd4 H104 O120 W19 Zn3 -","- Cu2 Gd4 O120 W19 Zn3 -","- Cu4 Gd8 O240 W38 Zn6 -","2","1","","Zhao, Min; Zhang, Xian-Wei; Wu, Chuan-De","Structural Transformation of Porous Polyoxometalate Frameworks and Highly Efficient Biomimetic Aerobic Oxidation of Aliphatic Alcohols","ACS Catalysis","2017","7","10","6573","","10.1021/acscatal.7b01985","","","0.71073","MoKα","","0.0651","0.0426","","","0.0924","0.1032","","","","","","1.038","","","","has coordinates","202575","2020-10-21","18:00:00",""
"4514279","12.3498","0.0013","13.2731","0.0013","16.0314","0.0011","68.011","0.008","70.892","0.008","69.811","0.009","2226.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- Cu2 Gd4 H114 O105 W19 Zn3 -","- Cu2 Gd4 O105 W19 Zn3 -","- Cu2 Gd4 O105 W19 Zn3 -","1","0.5","","Zhao, Min; Zhang, Xian-Wei; Wu, Chuan-De","Structural Transformation of Porous Polyoxometalate Frameworks and Highly Efficient Biomimetic Aerobic Oxidation of Aliphatic Alcohols","ACS Catalysis","2017","7","10","6573","","10.1021/acscatal.7b01985","","","0.71073","MoKα","","0.1359","0.0913","","","0.2082","0.2351","","","","","","1.266","","","","has coordinates","202576","2020-10-21","18:00:00",""
"4514280","11.051","0.0014","15.235","0.002","16.459","0.002","90","","105.354","0.004","90","","2672.2","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 N4 O7 Ru S -","- C26 H28 N4 O7 Ru S -","- C104 H112 N16 O28 Ru4 S4 -","4","1","","Matheu, Roc; Ertem, Mehmed Z.; Gimbert-Suriñach, Carolina; Benet-Buchholz, Jordi; Sala, Xavier; Llobet, Antoni","Hydrogen Bonding Rescues Overpotential in Seven-Coordinated Ru Water Oxidation Catalysts","ACS Catalysis","2017","7","10","6525","","10.1021/acscatal.7b01860","","","0.71073","MoKα","","0.043","0.0307","","","0.0696","0.0755","","","","","","1.037","","","","has coordinates,has disorder","202577","2020-10-21","18:00:00",""
"4514281","9.919","0.006","10.244","0.005","10.412","0.006","65.248","0.012","89.25","0.02","80.89","0.02","947","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H25 Ir N2 O6 S -","- C17 H25 Ir N2 O6 S -","- C34 H50 Ir2 N4 O12 S2 -","2","1","","Kanega, Ryoichi; Onishi, Naoya; Szalda, David J.; Ertem, Mehmed Z.; Muckerman, James T.; Fujita, Etsuko; Himeda, Yuichiro","CO2 Hydrogenation Catalysts with Deprotonated Picolinamide Ligands","ACS Catalysis","2017","7","10","6426","","10.1021/acscatal.7b02280","","","0.71075","MoKα","","0.0483","0.0447","","","0.107","0.1104","","","","","","1.111","","","","has coordinates","202578","2020-10-21","18:00:00",""
"4514282","12.1349","0.0008","12.2766","0.0008","18.6225","0.0012","85.388","0.001","74.176","0.001","65.392","0.001","2425","0.3","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C102 H149 Cl In2 N4 O5 -","- C102 H149 Cl In2 N4 O5 -","- C102 H149 Cl In2 N4 O5 -","1","1","","Ebrahimi, Tannaz; Aluthge, Dinesh C.; Patrick, Brian O.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","Air- and Moisture-Stable Indium Salan Catalysts for Living Multiblock PLA Formation in Air","ACS Catalysis","2017","7","10","6413","","10.1021/acscatal.7b01939","","x-ray","0.71073","MoKα","","0.0257","0.0227","","","0.0463","0.0473","","","","","","1.009","","","","has coordinates,has disorder","202579","2020-10-21","18:00:00",""
"4514283","12.196","0.004","12.295","0.004","18.618","0.006","86.04","0.01","73.489","0.009","64.932","0.01","2420.3","1.4","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C96.95 H139.51 Cl In2 N4 O5 -","- C96.92 H139.48 Cl In2 N4 O5 -","- C96.92 H139.48 Cl In2 N4 O5 -","1","1","","Ebrahimi, Tannaz; Aluthge, Dinesh C.; Patrick, Brian O.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","Air- and Moisture-Stable Indium Salan Catalysts for Living Multiblock PLA Formation in Air","ACS Catalysis","2017","7","10","6413","","10.1021/acscatal.7b01939","","x-ray","0.71073","MoKα","","0.0976","0.0853","","","0.2324","0.2427","","","","","","1.108","","","","has coordinates,has disorder","202579","2020-10-21","18:00:00",""
"4514284","12.0666","0.0005","12.3213","0.0006","18.3525","0.0008","74.092","0.001","87.97","0.001","65.236","0.001","2372.91","0.19","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C86 H128 In2 N4 O6 -","- C86 H128 In2 N4 O6 -","- C86 H128 In2 N4 O6 -","1","1","","Ebrahimi, Tannaz; Aluthge, Dinesh C.; Patrick, Brian O.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","Air- and Moisture-Stable Indium Salan Catalysts for Living Multiblock PLA Formation in Air","ACS Catalysis","2017","7","10","6413","","10.1021/acscatal.7b01939","","x-ray","0.71073","MoKα","","0.0784","0.0533","","","0.0948","0.102","","","","","","0.83","","","","has coordinates,has disorder","202579","2020-10-21","18:00:00",""
"4514285","17.557","0.006","19.409","0.008","12.845","0.004","90","","99.726","0.008","90","","4314","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H104 In2 N4 O6 -","- C72 H104 In2 N4 O6 -","- C144 H208 In4 N8 O12 -","2","0.5","","Ebrahimi, Tannaz; Aluthge, Dinesh C.; Patrick, Brian O.; Hatzikiriakos, Savvas G.; Mehrkhodavandi, Parisa","Air- and Moisture-Stable Indium Salan Catalysts for Living Multiblock PLA Formation in Air","ACS Catalysis","2017","7","10","6413","","10.1021/acscatal.7b01939","","x-ray","0.71073","MoKα","","0.1051","0.0588","","","0.1453","0.1893","","","","","","1.081","","","","has coordinates,has disorder","202579","2020-10-21","18:00:00",""
"4514286","5.1494","0.0009","10.5103","0.0018","23.635","0.004","90","","90","","90","","1279.2","0.4","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(S)-2-(4-Bromophenyl)-4-oxo-4-(1H-pyrrol-1-yl)butanenitrile","","","- C14 H11 Br N2 O -","- C14 H11 Br N2 O -","- C56 H44 Br4 N8 O4 -","4","1","","Hatano, Manabu; Yamakawa, Katsuya; Ishihara, Kazuaki","Enantioselective Conjugate Hydrocyanation of α,β-Unsaturated N-Acylpyrroles Catalyzed by Chiral Lithium(I) Phosphoryl Phenoxide","ACS Catalysis","2017","7","10","6686","","10.1021/acscatal.7b02551","","","0.71075","MoKα","","0.0205","0.0188","","","0.0391","0.0393","","","","","","0.967","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514289","8.76727","0.00017","24.7029","0.0005","9.7159","0.0002","90","","100.555","0.0018","90","","2068.63","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 F3 N4 O2 -","- C23 H19 F3 N4 O2 -","- C92 H76 F12 N16 O8 -","4","1","","Ye, Jian-Heng; Zhu, Lei; Yan, Si-Shun; Miao, Meng; Zhang, Xin-Chi; Zhou, Wen-Jun; Li, Jing; Lan, Yu; Yu, Da-Gang","Radical Trifluoromethylative Dearomatization of Indoles and Furans with CO2","ACS Catalysis","2017","7","12","8324","","10.1021/acscatal.7b02533","","","1.54184","CuKα","","0.0582","0.0548","","","0.1459","0.1498","","","","","","1.06","","","","has coordinates","301843","2025-08-21","01:58:43",""
"4514290","9.4232","0.0007","10.4405","0.0005","14.3166","0.0012","98.121","0.006","99.958","0.007","116.027","0.007","1208.5","0.18","100","0.1","100","0.1","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C20 H20 Cl2 N8 Ru -","- C20 H20 Cl2 N8 Ru -","- C40 H40 Cl4 N16 Ru2 -","2","1","","Telleria, Ainara; Vicent, Cristian; San Nacianceno, Virginia; Garralda, María A.; Freixa, Zoraida","Experimental Evidence Supporting Related Mechanisms for Ru(II)-Catalyzed Dehydrocoupling and Hydrolysis of Amine-Boranes","ACS Catalysis","2017","7","12","8394","","10.1021/acscatal.7b02958","","x-ray","1.54184","CuKα","","0.0935","0.0799","","","0.2203","0.2324","","","","","","1.139","","","","has coordinates,has disorder","203976","2020-10-21","18:00:00",""
"4514291","6.9529","0.0002","11.5712","0.0007","16.87","0.0013","92.79","0.006","99.326","0.004","96.309","0.004","1328.14","0.14","100","0.1","100","0.1","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C24 H22 Cl2 N2 O3.95 Ru -","- C24 H22 Cl2 N2 O3.95 Ru -","- C48 H44 Cl4 N4 O7.9 Ru2 -","2","1","","Telleria, Ainara; Vicent, Cristian; San Nacianceno, Virginia; Garralda, María A.; Freixa, Zoraida","Experimental Evidence Supporting Related Mechanisms for Ru(II)-Catalyzed Dehydrocoupling and Hydrolysis of Amine-Boranes","ACS Catalysis","2017","7","12","8394","","10.1021/acscatal.7b02958","","x-ray","0.71073","MoKα","","0.1093","0.0767","","","0.1942","0.2107","","","","","","1","","","","has coordinates,has disorder","203976","2020-10-21","18:00:00",""
"4514292","10.6051","0.0008","10.7857","0.0009","16.5095","0.0015","93.576","0.007","102.19","0.007","107.715","0.007","1742","0.3","100.01","0.1","100.01","0.1","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C23 H23 Br Cl11 N5 Ru -","- C23 H23 Br Cl11 N5 Ru -","- C46 H46 Br2 Cl22 N10 Ru2 -","2","1","","Telleria, Ainara; Vicent, Cristian; San Nacianceno, Virginia; Garralda, María A.; Freixa, Zoraida","Experimental Evidence Supporting Related Mechanisms for Ru(II)-Catalyzed Dehydrocoupling and Hydrolysis of Amine-Boranes","ACS Catalysis","2017","7","12","8394","","10.1021/acscatal.7b02958","","x-ray","1.54184","CuKα","","0.0782","0.0659","","","0.1708","0.1847","","","","","","1.023","","","","has coordinates,has disorder","203976","2020-10-21","18:00:00",""
"4514293","12.1191","0.0018","13.987","0.002","14.338","0.002","66.838","0.002","73.267","0.002","64.731","0.002","1999.6","0.5","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H48 N4 Zn -","- C46 H48 N4 Zn -","- C92 H96 N8 Zn2 -","2","1","","Lortie, John L.; Dudding, Travis; Gabidullin, Bulat M.; Nikonov, Georgii I.","Zinc-Catalyzed Hydrosilylation and Hydroboration of N-Heterocycles","ACS Catalysis","2017","7","12","8454","","10.1021/acscatal.7b02811","","","0.71073","MoKα","","0.0751","0.0457","","","0.124","0.1462","","","","","","1.056","","","","has coordinates,has disorder","301843","2025-08-21","01:58:43",""
"4515206","10.8699","0.0006","28.1809","0.0016","13.7206","0.0008","90","","97.267","0.002","90","","4169.2","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H34 Cu2 N6 O13 S2 -","- C46 H34 Cu2 N6 O13 S2 -","- C184 H136 Cu8 N24 O52 S8 -","4","1","","Panda, Dillip K.; Maity, Krishnendu; Palukoshka, Andrei; Ibrahim, Faysal; Saha, Sourav","Li+ Ion-Conducting Sulfonate-Based Neutral Metal‒Organic Framework","ACS Sustainable Chemistry & Engineering","2019","7","5","4619","","10.1021/acssuschemeng.8b06254","","","0.71073","MoKα","","0.0805","0.0639","","","0.1295","0.1355","","","","","","1.188","","","","has coordinates,has disorder","220316","2020-10-21","18:00:00",""
"4515207","19.1883","0.0015","12.5853","0.001","19.3989","0.0015","90","","99.19","0.002","90","","4624.5","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H60 N4 Nd O4 P -","- C51 H60 N4 Nd O4 P -","- C204 H240 N16 Nd4 O16 P4 -","4","1","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.0987","0.0946","","","0.2207","0.2223","","","","","","1.374","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515208","38.1969","0.0008","10.9454","0.0002","19.2649","0.0004","90","","102.615","0.001","90","","7859.8","0.3","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H54 N4 Nd O4 P -","- C36 H54 N4 Nd O4 P -","- C288 H432 N32 Nd8 O32 P8 -","8","1","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.0205","0.0183","","","0.0446","0.046","","","","","","1.098","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515209","11.9949","0.0005","18.6326","0.0008","18.9129","0.0008","90","","94.109","0.002","90","","4216.1","0.3","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 N7 Nd O4 P -","- C39 H63 N7 Nd O4 P -","- C156 H252 N28 Nd4 O16 P4 -","4","1","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.0398","0.0281","","","0.0746","0.0892","","","","","","1.193","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515210","16.5739","0.0008","17.6173","0.0008","27.2443","0.0013","90","","94.233","0.002","90","","7933.3","0.6","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H54 N4 Nd O7 P -","- C36 H54 N4 Nd O7 P -","- C288 H432 N32 Nd8 O56 P8 -","8","1","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.0312","0.0305","","","0.0721","0.0726","","","","","","1.045","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515211","16.4859","0.0005","17.8257","0.0005","27.8903","0.0008","90","","92.188","0.001","90","","8190.2","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H60 N4 Nd O4 P -","- C39 H60 N4 Nd O4 P -","- C312 H480 N32 Nd8 O32 P8 -","8","1","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.0321","0.0298","","","0.0692","0.0706","","","","","","1.033","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515212","11.5283","0.0007","12.1595","0.0008","16.8509","0.001","86.866","0.002","85.925","0.002","76.097","0.002","2285.4","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C45 H72 N4 Nd O4 P -","- C45 H72 N4 Nd O4 P -","- C90 H144 N8 Nd2 O8 P2 -","2","1","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.019","0.0172","","","0.0489","0.0538","","","","","","1.262","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515213","11.8184","0.0008","14.1946","0.0012","19.7841","0.0018","89.948","0.003","89.399","0.004","71.741","0.003","3151.6","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H45 Dy N4 O3 -","- C33 H45 Dy N4 O3 -","- C132 H180 Dy4 N16 O12 -","4","2","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.0316","0.0201","","","0.0373","0.0409","","","","","","1.054","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515214","14.5413","0.0004","18.4181","0.0004","15.8401","0.0004","90","","91.075","0.001","90","","4241.6","0.18","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H66 N4 Nd O4 P -","- C42 H66 N4 Nd O4 P -","- C168 H264 N16 Nd4 O16 P4 -","4","1","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.0174","0.0163","","","0.0377","0.0386","","","","","","1.11","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515215","16.1024","0.0004","13.8935","0.0004","17.4194","0.0005","90","","93.326","0.001","90","","3890.48","0.19","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H60 Dy N4 O4 P -","- C39 H60 Dy N4 O4 P -","- C156 H240 Dy4 N16 O16 P4 -","4","1","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.0238","0.0186","","","0.0394","0.0414","","","","","","1.035","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515216","11.903","0.002","18.563","0.003","18.834","0.003","90","","94.039","0.009","90","","4151.1","1.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H63 Dy N7 O4 P -","- C39 H63 Dy N7 O4 P -","- C156 H252 Dy4 N28 O16 P4 -","4","1","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.0362","0.0246","","","0.0539","0.0573","","","","","","1.029","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515217","12.054","0.0005","18.776","0.001","18.8372","0.0009","90","","90.503","0.002","90","","4263.2","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H66 Dy N4 O4 P -","- C42 H66 Dy N4 O4 P -","- C168 H264 Dy4 N16 O16 P4 -","4","1","","Cheisson, Thibault; Cole, Bren E.; Manor, Brian C.; Carroll, Patrick J.; Schelter, Eric J.","Phosphoryl-Ligand Adducts of Rare Earth-TriNOx Complexes: Systematic Studies and Implications for Separations Chemistry","ACS Sustainable Chemistry & Engineering","2019","7","5","4993","","10.1021/acssuschemeng.8b05638","","","0.71073","MoKα","","0.0299","0.0237","","","0.0565","0.0593","","","","","","1.029","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515218","6.217","0.002","7.746","0.003","9.321","0.003","90","","109.041","0.005","90","","424.3","0.3","90","0.2","90","0.2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C8 H13 N O4 -","- C8 H13 N O4 -","- C16 H26 N2 O8 -","2","1","","Sagawa, Takuya; Kobayashi, Hirokazu; Murata, Chinatsu; Shichibu, Yukatsu; Konishi, Katsuaki; Fukuoka, Atsushi","Catalytic Conversion of a Chitin-Derived Sugar Alcohol to an Amide-Containing Isosorbide Analog","ACS Sustainable Chemistry & Engineering","2019","7","17","14883","","10.1021/acssuschemeng.9b02985","","","0.71073","MoKα","","0.0357","0.0313","","","0.0664","0.0685","","","","","","1.079","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515219","18.1977","0.0005","8.4952","0.0002","19.6349","0.0005","90","","111.389","0.003","90","","2826.36","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H94 Cl6 N4 O4 Sn -","- C44 H94 Cl6 N4 O4 Sn -","- C88 H188 Cl12 N8 O8 Sn2 -","2","0.5","","Doidge, Euan D.; Kinsman, Luke M. M.; Ji, Yiran; Carson, Innis; Duffy, Andrew J.; Kordas, Izabela A.; Shao, Eddie; Tasker, Peter A.; Ngwenya, Bryne T.; Morrison, Carole A.; Love, Jason B.","Evaluation of Simple Amides in the Selective Recovery of Gold from Secondary Sources by Solvent Extraction","ACS Sustainable Chemistry & Engineering","2019","7","17","15019","","10.1021/acssuschemeng.9b03436","","","0.71073","MoKα","","0.04","0.0309","","","0.1072","0.1192","","","","","","0.892","","","","has coordinates","220319","2020-10-21","18:00:00",""
"4515220","39.1","0.002","39.1","0.002","16.7147","0.0009","90","","90","","120","","22130","2","210","","210","","","","","","","","","6","P 6/m m m","-P 6 2","191","","","","- C21.46 H10 Cl0.25 Cr0.25 O8 Zr1.5 -","- C21.46 H10 Cl0.25 Cr0.25 O8 Zr1.5 -","- C257.52 H120 Cl3 Cr3 O96 Zr18 -","12","0.5","","Goetjen, Timothy A.; Zhang, Xuan; Liu, Jian; Hupp, Joseph T.; Farha, Omar K.","Metal‒Organic Framework Supported Single Site Chromium(III) Catalyst for Ethylene Oligomerization at Low Pressure and Temperature","ACS Sustainable Chemistry & Engineering","2019","7","2","2553","","10.1021/acssuschemeng.8b05524","","","1.54178","CuKα","","0.1642","0.1403","","","0.3816","0.4006","","","","","","1.401","","","","has coordinates,has disorder","220320","2020-10-21","18:00:00",""
"4515221","13.0502","0.0007","4.5002","0.0002","15.3524","0.0008","90","","99.661","0.005","90","","888.84","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Cl I O -","- C8 H8 Cl I O -","- C32 H32 Cl4 I4 O4 -","4","1","","Yi, Wei; Wang, Peng-Fei; Lu, Meng; Liu, Qian-Qian; Bai, Xue; Chen, Kai-Die; Zhang, Jing-Wen; Liu, Gong-Qing","Environmentally Friendly Protocol for the Oxidative Iodofunctionalization of Olefins in a Green Solvent","ACS Sustainable Chemistry & Engineering","2019","7","19","16777","","10.1021/acssuschemeng.9b04298","","x-ray","0.71073","MoKα","","0.0198","0.0189","","","0.0455","0.0461","","","","","","1.077","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515222","9.1158","0.0005","32.969","0.002","19.0369","0.0011","90","","98.12","0.002","90","","5664","0.6","110","2","110.48","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C68 H67 N8 O6 -","- C68 H67 N8 O6 -","- C272 H268 N32 O24 -","4","1","","Paul, Suparna; Bhuyan, Samuzal; Mukhopadhyay, Subhra Kanti; Murmu, Naresh Chandra; Banerjee, Priyabrata","Sensitive and Selective in Vitro Recognition of Biologically Toxic As(III) by Rhodamine Based Chemoreceptor","ACS Sustainable Chemistry & Engineering","2019","7","16","13687","","10.1021/acssuschemeng.9b00935","","","0.71073","MoKα","","0.1123","0.0597","","","0.1411","0.1759","","","","","","1.017","","","","has coordinates,has disorder","220322","2020-10-21","18:00:00",""
"4515223","9.6843","0.0005","15.0889","0.0007","16.578","0.0008","89.55","0.001","78.093","0.001","81.195","0.002","2341.7","0.2","153","","153.15","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H34 F18 I2 N2 O2 -","- C46 H34 F18 I2 N2 O2 -","- C92 H68 F36 I4 N4 O4 -","2","1","","Wang, Shuo-Wen; Yu, Jian; Zhou, Qin-Yi; Chen, Si-Yu; Xu, Zhen-Hua; Tang, Shi","Visible-Light-Induced Atom Transfer Radical Addition and Cyclization of Perfluoroalkyl Halides with 1,n-Enynes","ACS Sustainable Chemistry & Engineering","2019","7","11","10154","","10.1021/acssuschemeng.9b02178","","","0.71073","MoKα","","0.0489","0.0379","","","0.0874","0.0924","","","","","","1.027","","","","has coordinates,has disorder","301843","2025-08-21","01:58:45",""
"4515224","11.21892","0.00011","11.41336","0.00011","47.0823","0.0004","90","","90","","90","","6028.68","0.1","100.01","0.1","100","0.1","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H10 F6 N4 O4 S2 -","- C8 H10 F6 N4 O4 S2 -","- C128 H160 F96 N64 O64 S32 -","16","4","","Zulfiqar, Sonia; Mantione, Daniele; El Tall, Omar; Ruipérez, Fernando; Sarwar, Muhammad Ilyas; Rothenberger, Alexander; Mecerreyes, David","Pyridinium Containing Amide Based Polymeric Ionic Liquids for CO2/CH4 Separation","ACS Sustainable Chemistry & Engineering","2019","7","12","10241","","10.1021/acssuschemeng.9b01903","","x-ray","1.54184","","","0.0354","0.0334","","","0.0783","0.0791","","","","","","1.05","","","","has coordinates","301843","2025-08-21","01:58:45",""
"4515225","18.5028","0.0007","11.5294","0.0005","20.0879","0.0008","90","","90","","90","","4285.3","0.3","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C30 H30 Cu6 N12 O0 S6 -","- C30 H30 Cu6 N12 S6 -","- C120 H120 Cu24 N48 S24 -","4","1","","Wang, XiaoXuan; Xu, XinXin; Liu, Ning; Shi, Fa-Nian; Shi, GuiMei","Zn‒H+ Battery, Versatile Energy Conversion Equipment for Electricity Generation and H2 Production Simultaneously","ACS Sustainable Chemistry & Engineering","2019","7","12","10979","","10.1021/acssuschemeng.9b02048","","","0.71073","MoKα","","0.078","0.0674","","","0.1925","0.2012","","","","","","1.426","","","","has coordinates","220325","2020-10-21","18:00:00",""
"4516230","11.2976","0.0007","14.1599","0.0008","15.1689","0.001","90","","107.882","0.007","90","","2309.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 Cu4 I4 N4 S8 -","- C36 H36 Cu4 I4 N4 S8 -","- C72 H72 Cu8 I8 N8 S16 -","2","0.5","","Liu, Guang-Ning; Xu, Rang-Dong; Zhao, Ruo-Yu; Sun, Yiqiang; Bo, Qi-Bing; Duan, Zhong-Yao; Li, Yue-Hua; Wang, Yang-Yang; Wu, Qian; Li, Cuncheng","Hybrid Copper Iodide Cluster-Based Pellet Sensor for Highly Selective Optical Detection of o-Nitrophenol and Tetracycline Hydrochloride in Aqueous Solution","ACS Sustainable Chemistry & Engineering","2019","7","23","18863","","10.1021/acssuschemeng.9b03963","","x-ray","0.71073","MoKα","","0.0357","0.026","","","0.0542","0.0587","","","","","","1.065","","","","has coordinates","246541","2020-10-21","18:00:00",""
"4516601","6.8546","0.0006","7.0142","0.0006","10.762","0.0008","87.65","0.005","82.614","0.005","72.056","0.005","488.18","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H6 O7 Sr -","- C9 H6 O7 Sr -","- C18 H12 O14 Sr2 -","2","1","","Usman, Muhammad; Mendiratta, Shruti; Batjargal, Sainbileg; Haider, Golam; Hayashi, Michitoshi; Rao Gade, Narsinga; Chen, Jenq-Wei; Chen, Yang-Fang; Lu, Kuang-Lieh","Semiconductor Behavior of a Three-Dimensional Strontium-Based Metal-Organic Framework.","ACS applied materials & interfaces","2015","7","41","22767","22774","10.1021/acsami.5b07228","","","0.71073","MoKα","","0.0713","0.0689","","","0.1818","0.1829","","","","","","1.094","","","","has coordinates","273129","2022-02-23","10:11:36",""
"4516602","14.7776","0.0013","12.4094","0.0011","29.9554","0.0018","90","","115.572","0.003","90","","4955.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H39 N3 O11 Zn2 -","- C35 H39 N3 O11 Zn2 -","- C140 H156 N12 O44 Zn8 -","4","1","","Li, Liangjun; Xue, Haitao; Wang, Ying; Zhao, Pinhui; Zhu, Dandan; Jiang, Min; Zhao, Xuebo","Solvothermal Metal Metathesis on a Metal-Organic Framework with Constricted Pores and the Study of Gas Separation.","ACS applied materials & interfaces","2015","7","45","25402","25412","10.1021/acsami.5b07953","","","0.71073","MoKα","","0.0591","0.0463","","","0.1357","0.1428","","","","","","1.042","","","","has coordinates,has disorder","239399","2020-10-21","18:00:00",""
"4516726","8.4814","0.0004","13.8492","0.0007","19.5575","0.001","86.4189","0.0015","81.6947","0.0013","73.8739","0.0014","2183.1","0.19","93","0.2","93","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 N3 O3 -","- C28 H21 N3 O3 -","- C112 H84 N12 O12 -","4","2","","Yamamoto, Yoshihiko; Nishimura, Kei-ichiro; Shibuya, Masatoshi","Ruthenium-Catalyzed Cycloisomerization of 1,6-Diynes with Styryl Terminals Leading to Indenylidene Cycloalkanes","ACS Catalysis","2017","7","2","1101","","10.1021/acscatal.6b03322","","","0.71073","MoKα","","0.0582","0.0519","","","0.1334","0.1381","","","","","","1.03","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516727","6.1366","0.0002","11.2261","0.0004","11.6894","0.0004","67.3845","0.001","81.2585","0.001","88.6059","0.0011","734.21","0.04","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C33 H40 O7 -","- C33 H40 O7 -","- C33 H40 O7 -","1","1","","Eisink, Niek N. H. M.; Witte, Martin D.; Minnaard, Adriaan J.","Regioselective Carbohydrate Oxidations: A Nuclear Magnetic Resonance (NMR) Study on Selectivity, Rate, and Side-Product Formation.","ACS catalysis","2017","7","2","1438","1445","10.1021/acscatal.6b03459","","","0.71073","MoKα","","0.0346","0.0331","","","0.082","0.0831","","","","","","1.068","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516728","6.915","0.0008","12.31","0.0007","14.954","0.002","82.822","0.008","83.631","0.01","85.687","0.007","1252.7","0.2","198","","198","","","","","","","","see text","7","P -1","-P 1","2","","","","- C17 H18 Cl3 F6 N8 P Pd -","- C17 H18 Cl3 F6 N8 P Pd -","- C34 H36 Cl6 F12 N16 P2 Pd2 -","2","1","","Schroeter, Felix; Soellner, Johannes; Strassner, Thomas","Cross-Coupling Catalysis by an Anionic Palladium Complex","ACS Catalysis","2017","7","4","3004","","10.1021/acscatal.6b03655","","x-ray","0.71073","MoKα","","0.0517","0.0339","","","0.0534","0.0566","","","","","","1.138","","","","has coordinates,has disorder","239490","2020-10-21","18:00:00",""
"4516729","9.133","0.004","21.693","0.002","12.682","0.005","90","","90","","90","","2512.6","1.5","198","","198","","","","","","","","see text","7","P n a 21","P 2c -2n","33","","","","- C18 H42 Cl3 N O Pd S -","- C18 H42 Cl3 N O Pd S -","- C72 H168 Cl12 N4 O4 Pd4 S4 -","4","1","","Schroeter, Felix; Soellner, Johannes; Strassner, Thomas","Cross-Coupling Catalysis by an Anionic Palladium Complex","ACS Catalysis","2017","7","4","3004","","10.1021/acscatal.6b03655","","x-ray","0.71073","MoKα","","0.0583","0.0366","","","0.0501","0.0535","","","","","","1.121","","","","has coordinates","239491","2020-10-21","18:00:00",""
"4516730","13.08003","0.00013","23.3536","0.0003","26.5956","0.0003","90","","90","","90","","8124.05","0.16","123.01","0.1","123.01","0.1","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C38.5 H40 F9 N6.5 O2.5 S -","- C38.5 H40 F9 N6.5 O2.5 S -","- C308 H320 F72 N52 O20 S8 -","8","1","","Neuvonen, Antti J.; Földes, Tamás; Madarász, Ádám; Pápai, Imre; Pihko, Petri M.","Organocatalysts Fold To Generate an Active Site Pocket for the Mannich Reaction","ACS Catalysis","2017","7","5","3284","","10.1021/acscatal.7b00336","","x-ray","1.54184","CuKα","","0.0396","0.0384","","","0.106","0.1074","","","","","","1.058","","","","has coordinates,has disorder","239492","2020-10-21","18:00:00",""
"4516731","12.6954","0.0014","5.5859","0.0006","22.534","0.002","90","","102.103","0.003","90","","1562.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N O4 S -","- C15 H19 N O4 S -","- C60 H76 N4 O16 S4 -","4","1","","Cao, Tao; Yang, Zheng; Ma, Shengming","Selectivities in Nickel-Catalyzed Hydrocarboxylation of Enynes with Carbon Dioxide","ACS Catalysis","2017","7","7","4504","","10.1021/acscatal.7b00556","","","0.71073","MoKα","","0.0839","0.0647","","","0.1737","0.1887","","","","","","1.046","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516732","9.0731","0.0006","10.4974","0.0008","12.7753","0.001","98.387","0.003","102.017","0.003","101.29","0.003","1144.77","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23.5 H20 Cl2 N5 O2 Ru -","- C23.5 H20 Cl2 N5 O2 Ru -","- C47 H40 Cl4 N10 O4 Ru2 -","2","1","","Ono, Takashi; Qu, Shuanglin; Gimbert-Suriñach, Carolina; Johnson, Michelle A.; Marell, Daniel J.; Benet-Buchholz, Jordi; Cramer, Christopher J.; Llobet, Antoni","Hydrogenative Carbon Dioxide Reduction Catalyzed by Mononuclear Ruthenium Polypyridyl Complexes: Discerning between Electronic and Steric Effects","ACS Catalysis","2017","7","9","5932","","10.1021/acscatal.7b00603","","","0.71073","MoKα","","0.0608","0.0576","","","0.1541","0.1589","","","","","","1.03","","","","has coordinates,has disorder","239494","2020-10-21","18:00:00",""
"4516733","10.3114","0.0015","14.828","0.002","18.855","0.003","90","","92.38","0.005","90","","2880.4","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H26 Cl3 N7 Ru -","- C31 H26 Cl3 N7 Ru -","- C124 H104 Cl12 N28 Ru4 -","4","1","","Ono, Takashi; Qu, Shuanglin; Gimbert-Suriñach, Carolina; Johnson, Michelle A.; Marell, Daniel J.; Benet-Buchholz, Jordi; Cramer, Christopher J.; Llobet, Antoni","Hydrogenative Carbon Dioxide Reduction Catalyzed by Mononuclear Ruthenium Polypyridyl Complexes: Discerning between Electronic and Steric Effects","ACS Catalysis","2017","7","9","5932","","10.1021/acscatal.7b00603","","","0.71073","MoKα","","0.0315","0.0272","","","0.0636","0.0661","","","","","","1.037","","","","has coordinates","239494","2020-10-21","18:00:00",""
"4516734","5.3524","0.0011","9.849","0.002","16.789","0.003","91.22","0.03","96.68","0.03","91.44","0.03","878.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 N2 O2 S -","- C20 H20 N2 O2 S -","- C40 H40 N4 O4 S2 -","2","1","","Li, Long; Chen, Xiu-Mei; Wang, Ze-Shu; Zhou, Bo; Liu, Xin; Lu, Xin; Ye, Long-Wu","Reversal of Regioselectivity in Catalytic Arene-Ynamide Cyclization: Direct Synthesis of Valuable Azepino[4,5-b]indoles and β-Carbolines and DFT Calculations","ACS Catalysis","2017","7","6","4004","","10.1021/acscatal.7b01038","","","0.71073","MoKα","","0.118","0.0844","","","0.2318","0.3499","","","","","","1.453","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516735","9.6188","0.0003","16.8151","0.0005","11.4121","0.0003","90","","92.913","0.003","90","","1843.42","0.09","173.01","0.1","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O2 S -","- C21 H24 N2 O2 S -","- C84 H96 N8 O8 S4 -","4","2","","Li, Long; Chen, Xiu-Mei; Wang, Ze-Shu; Zhou, Bo; Liu, Xin; Lu, Xin; Ye, Long-Wu","Reversal of Regioselectivity in Catalytic Arene-Ynamide Cyclization: Direct Synthesis of Valuable Azepino[4,5-b]indoles and β-Carbolines and DFT Calculations","ACS Catalysis","2017","7","6","4004","","10.1021/acscatal.7b01038","","","0.71","MoKα","","0.081","0.0778","","","0.211","0.2152","","","","","","1.116","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516736","10.8798","0.0005","11.5927","0.0005","14.6647","0.0006","84.709","0.002","78.676","0.002","86.719","0.002","1804.42","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H62 B Co N O2 P3 -","- C31 H62 B Co N O2 P3 -","- C62 H124 B2 Co2 N2 O4 P6 -","2","1","","Obligacion, Jennifer V.; Chirik, Paul J.","Mechanistic Studies of Cobalt-Catalyzed C(sp<sup>2</sup>)-H Borylation of Five-Membered Heteroarenes with Pinacolborane.","ACS catalysis","2017","7","7","4366","4371","10.1021/acscatal.7b01151","","","1.54178","CuKα","","0.0352","0.0316","","","0.0826","0.0914","","","","","","1.121","","","","has coordinates,has disorder","239497","2020-10-21","18:00:00",""
"4516737","13.029","0.005","31.24","0.011","9.883","0.002","90","","90","","90","","4023","2","103","2","103","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H53 B2 N O8 -","- C42 H53 B2 N O8 -","- C168 H212 B8 N4 O32 -","4","1","","Chong, Che Chang; Rao, Bin; Kinjo, Rei","Metal-Free Catalytic Reduction of α,β-Unsaturated Esters by 1,3,2-Diazaphospholene and Subsequent C–C Coupling with Nitriles","ACS Catalysis","2017","7","9","5814","","10.1021/acscatal.7b01338","","","0.71073","MoKα","","0.0987","0.0623","","","0.1267","0.1443","","","","","","1.022","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516738","5.9683","0.0001","11.8288","0.0003","12.2029","0.0003","94.8482","0.0009","101.631","0.0009","100.091","0.0009","824.32","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H22 O6 -","- C18 H22 O6 -","- C36 H44 O12 -","2","1","","Chong, Che Chang; Rao, Bin; Kinjo, Rei","Metal-Free Catalytic Reduction of α,β-Unsaturated Esters by 1,3,2-Diazaphospholene and Subsequent C–C Coupling with Nitriles","ACS Catalysis","2017","7","9","5814","","10.1021/acscatal.7b01338","","","0.71073","MoKα","","0.0734","0.048","","","0.0999","0.1137","","","","","","1.058","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516739","10.0889","0.0005","10.4012","0.0005","10.9505","0.0006","114.987","0.003","111.721","0.002","93.719","0.003","933.62","0.09","140","","140","","","","","","","","","7","P -1","-P 1","2","","[(dmpbz)2Co(CH3CN)2][BF4]2,(CH3CN)2","","- C28 H44 B2 Co F8 N4 P4 -","- C28 H44 B2 Co F8 N4 P4 -","- C28 H44 B2 Co F8 N4 P4 -","1","0.5","","Jeletic, Matthew S.; Hulley, Elliott B.; Helm, Monte L.; Mock, Michael T.; Appel, Aaron M.; Wiedner, Eric S.; Linehan, John C.","Understanding the Relationship Between Kinetics and Thermodynamics in CO2 Hydrogenation Catalysis","ACS Catalysis","2017","7","9","6008","","10.1021/acscatal.7b01673","","","0.71073","MoKα","","0.0458","0.0333","","","0.08","0.086","","","","","","1.05","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516740","15.0848","0.0006","20.0234","0.0007","32.3058","0.0014","90","","91.503","0.002","90","","9754.6","0.7","164","","164","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H51 B2 Co F8 N P4 -","- C22 H51 B2 Co F8 N P4 -","- C264 H612 B24 Co12 F96 N12 P48 -","12","3","","Jeletic, Matthew S.; Hulley, Elliott B.; Helm, Monte L.; Mock, Michael T.; Appel, Aaron M.; Wiedner, Eric S.; Linehan, John C.","Understanding the Relationship Between Kinetics and Thermodynamics in CO2 Hydrogenation Catalysis","ACS Catalysis","2017","7","9","6008","","10.1021/acscatal.7b01673","","","0.71073","MoKα","","0.0893","0.0603","","","0.1555","0.1747","","","","","","1.04","","","","has coordinates","301843","2025-08-21","01:58:47",""
"4516741","15.7643","0.0005","16.3813","0.0005","8.9459","0.0002","90","","90","","90","","2310.19","0.11","140","","140","","","","","","","","","4","A e a 2","A 2 -2ab","41","","CoH(dmpbz)","","- C20 H32 Co P4 -","- C20 H32 Co P4 -","- C80 H128 Co4 P16 -","4","0.5","","Jeletic, Matthew S.; Hulley, Elliott B.; Helm, Monte L.; Mock, Michael T.; Appel, Aaron M.; Wiedner, Eric S.; Linehan, John C.","Understanding the Relationship Between Kinetics and Thermodynamics in CO2 Hydrogenation Catalysis","ACS Catalysis","2017","7","9","6008","","10.1021/acscatal.7b01673","","","0.71073","MoKα","","0.0451","0.0321","","","0.0655","0.07","","","","","","1.023","","","","has coordinates,has disorder","301843","2025-08-21","01:58:47",""
"4516809","10.985","0.003","22.319","0.006","12.259","0.004","90","","107.833","0.005","90","","2861.2","1.4","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H30 F6 N Ni O P -","- C31 H30 F6 N Ni O P -","- C124 H120 F24 N4 Ni4 O4 P4 -","4","1","","Konishi, Yohei; Tao, Wen-jie; Yasuda, Hina; Ito, Shingo; Oishi, Yasuo; Ohtaki, Hisashi; Tanna, Akio; Tayano, Takao; Nozaki, Kyoko","Nickel-Catalyzed Propylene/Polar Monomer Copolymerization","ACS Macro Letters","2018","7","2","213","","10.1021/acsmacrolett.7b00904","","","0.71075","MoKα","","0.0417","0.036","","","0.081","0.0841","","","","","","1.064","","","","has coordinates","239558","2020-10-21","18:00:00",""
"4516810","21.51","0.009","9.12","0.004","13.069","0.005","90","","90","","90","","2563.8","1.8","93","","93","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H42 Ni O P2 -","- C26 H42 Ni O P2 -","- C104 H168 Ni4 O4 P8 -","4","1","","Konishi, Yohei; Tao, Wen-jie; Yasuda, Hina; Ito, Shingo; Oishi, Yasuo; Ohtaki, Hisashi; Tanna, Akio; Tayano, Takao; Nozaki, Kyoko","Nickel-Catalyzed Propylene/Polar Monomer Copolymerization","ACS Macro Letters","2018","7","2","213","","10.1021/acsmacrolett.7b00904","","","0.71075","MoKα","","0.039","0.0362","","","0.0744","0.0763","","","","","","1.058","","","","has coordinates","239559","2020-10-21","18:00:00",""
"4516811","10.862","0.003","17.927","0.004","12.12","0.003","90","","111.13","0.003","90","","2201.4","1","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C50 H61 F Ni O P2 -","- C50 H61 F Ni O P2 -","- C100 H122 F2 Ni2 O2 P4 -","2","1","","Konishi, Yohei; Tao, Wen-jie; Yasuda, Hina; Ito, Shingo; Oishi, Yasuo; Ohtaki, Hisashi; Tanna, Akio; Tayano, Takao; Nozaki, Kyoko","Nickel-Catalyzed Propylene/Polar Monomer Copolymerization","ACS Macro Letters","2018","7","2","213","","10.1021/acsmacrolett.7b00904","","","0.71075","MoKα","","0.0318","0.0306","","","0.0756","0.0767","","","","","","1.04","","","","has coordinates","239560","2020-10-21","18:00:00",""
"4516812","11.262","0.005","16.576","0.007","15.057","0.006","90","","97.245","0.007","90","","2788","2","93","","93","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H39 F N Ni O P -","- C29 H39 F N Ni O P -","- C116 H156 F4 N4 Ni4 O4 P4 -","4","1","","Konishi, Yohei; Tao, Wen-jie; Yasuda, Hina; Ito, Shingo; Oishi, Yasuo; Ohtaki, Hisashi; Tanna, Akio; Tayano, Takao; Nozaki, Kyoko","Nickel-Catalyzed Propylene/Polar Monomer Copolymerization","ACS Macro Letters","2018","7","2","213","","10.1021/acsmacrolett.7b00904","","","0.71075","MoKα","","0.0962","0.0769","","","0.1367","0.1444","","","","","","1.17","","","","has coordinates","239561","2020-10-21","18:00:00",""
"4517032","25.82","0.0006","11.60111","0.00024","8.0841","0.00018","90","","96.0474","0.0021","90","","2408.04","0.09","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 Ce F4 O6 -","- C8 Ce F4 O6 -","- C64 Ce8 F32 O48 -","8","1","","D’Amato, Roberto; Donnadio, Anna; Carta, Mariolino; Sangregorio, Claudio; Tiana, Davide; Vivani, Riccardo; Taddei, Marco; Costantino, Ferdinando","Water-Based Synthesis and Enhanced CO2 Capture Performance of Perfluorinated Cerium-Based Metal‒Organic Frameworks with UiO-66 and MIL-140 Topology","ACS Sustainable Chemistry & Engineering","2018","7","1","394","","10.1021/acssuschemeng.8b03765","powder diffraction","x-ray","1.5405","CuKα","","","","","","","","0.12809","","2.6","","","","","","","has coordinates","239708","2020-10-21","18:00:00",""
"4517033","21.54155","0.00063","21.54155","0.00063","21.54155","0.00063","90","","90","","90","","9996.1","0.5","398","","398","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- C24 Ce3 F12 O16 -","- C24 Ce3 F12 O16 -","- C192 Ce24 F96 O128 -","8","0.0416667","","D’Amato, Roberto; Donnadio, Anna; Carta, Mariolino; Sangregorio, Claudio; Tiana, Davide; Vivani, Riccardo; Taddei, Marco; Costantino, Ferdinando","Water-Based Synthesis and Enhanced CO2 Capture Performance of Perfluorinated Cerium-Based Metal‒Organic Frameworks with UiO-66 and MIL-140 Topology","ACS Sustainable Chemistry & Engineering","2018","7","1","394","","10.1021/acssuschemeng.8b03765","powder diffraction","","1.5405","CuKα","","","","","","","","0.08997","","1.845","","","","","","","has coordinates","239708","2020-10-21","18:00:00",""
"4519308","16.9883","0.0004","11.5454","0.0003","25.4733","0.0006","90","","104.9","0.001","90","","4828.3","0.2","299","2","299","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","CQN2","","- C34 H21 N3 -","- C34 H21 N3 -","- C272 H168 N24 -","8","1","","Acharya, Nirmalya; Dey, Suvendu; Deka, Raktim; Ray, Debdas","Molecular-Level Understanding of Dual-RTP via Host-Sensitized Multiple Triplet-to-Triplet Energy Transfers and Data Security Application","ACS Omega","2022","7","4","3722","3730","10.1021/acsomega.1c06390","","","0.71073","MoKα","","0.0756","0.0467","","","0.1236","0.1384","","","","","","1.139","","","","has coordinates","301408","2025-07-30","05:56:31",""
"4519309","5.4935","0.0005","23.625","0.002","18.7705","0.0019","90","","91.838","0.003","90","","2434.9","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","CQN1","","- C34 H21 N3 -","- C34 H21 N3 -","- C136 H84 N12 -","4","1","","Acharya, Nirmalya; Dey, Suvendu; Deka, Raktim; Ray, Debdas","Molecular-Level Understanding of Dual-RTP via Host-Sensitized Multiple Triplet-to-Triplet Energy Transfers and Data Security Application","ACS Omega","2022","7","4","3722","3730","10.1021/acsomega.1c06390","","","0.71073","MoKα","","0.1122","0.0773","","","0.1981","0.2221","","","","","","1.095","","","","has coordinates","272480","2022-02-03","21:25:01",""
"4519310","22.7897","0.0016","11.5629","0.0011","18.4891","0.0013","90","","90","","90","","4872.2","0.7","297","2","297","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","CQM","","- C34 H24 N2 -","- C34 H24 N2 -","- C272 H192 N16 -","8","1","","Acharya, Nirmalya; Dey, Suvendu; Deka, Raktim; Ray, Debdas","Molecular-Level Understanding of Dual-RTP via Host-Sensitized Multiple Triplet-to-Triplet Energy Transfers and Data Security Application","ACS Omega","2022","7","4","3722","3730","10.1021/acsomega.1c06390","","","0.71073","MoKα","","0.073","0.0398","","","0.0927","0.1137","","","","","","1.021","","","","has coordinates","272481","2022-02-03","21:25:24",""
"4519311","8.6805","0.0002","9.276","0.0002","10.4682","0.0002","75.499","0.001","83.008","0.001","67.834","0.001","755.39","0.03","296","1","296","1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 N3 O3 S -","- C15 H15 N3 O3 S -","- C30 H30 N6 O6 S2 -","2","1","","Oh, In Seok; Seo, Ye Ji; Hyun, Ji Young; Lim, Hwan Jung; Lee, Duck-Hyung; Park, Seong Jun","Acid-Catalyzed Hydrolysis and Intramolecular Cyclization of <i>N</i>-Cyano Sulfoximines for the Synthesis of Thiadiazine 1-Oxides.","ACS omega","2022","7","2","2160","2169","10.1021/acsomega.1c05570","","","0.71073","MoKα","","0.0675","0.0501","","","0.1288","0.1378","","","","","","1.073","","","","has coordinates","272482","2022-02-03","21:25:44",""
"4519312","9.9488","0.0006","12.8366","0.0007","18.5222","0.0011","90","","90","","90","","2365.4","0.2","100","1","100","1","","","","","","","","5","P n a 21","P 2c -2n","33","S-216","","","- C13 H11 N3 O S -","- C13 H11 N3 O S -","- C104 H88 N24 O8 S8 -","8","2","","Oh, In Seok; Seo, Ye Ji; Hyun, Ji Young; Lim, Hwan Jung; Lee, Duck-Hyung; Park, Seong Jun","Acid-Catalyzed Hydrolysis and Intramolecular Cyclization of <i>N</i>-Cyano Sulfoximines for the Synthesis of Thiadiazine 1-Oxides.","ACS omega","2022","7","2","2160","2169","10.1021/acsomega.1c05570","","","0.71073","MoKα","","0.053","0.0427","","","0.0929","0.0962","","","","","","0.992","","","","has coordinates","272483","2022-02-03","21:26:05",""
"4519313","12.1286","0.0012","11.7919","0.0011","21.603","0.002","90","","92.461","0.003","90","","3086.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Eu2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2","'Eu2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2'","","- C62 H44 Cl4 Eu2 N10 O12 -","- C62 H44 Cl4 Eu2 N10 O12 -","- C124 H88 Cl8 Eu4 N20 O24 -","2","0.5","","Lu, Ying-Bing; Wu, Jun-Wei; Zhu, Shui-Dong; Wang, Sheng-Qian; Zhang, Shi-Yong; Liu, Cai-Ming; Li, Rong; Li, Juan; Ai, Jia-Hao; Xie, Yong-Rong","3-Pyridylacetic-Based Lanthanide Complexes Exhibiting Magnetic Entropy Changes, Single-Molecule Magnet, and Fluorescence.","ACS omega","2022","7","3","2604","2612","10.1021/acsomega.1c04728","","","0.71073","MoKα","","0.0376","0.0352","","","0.1235","0.1308","","","","","","1.013","","","","has coordinates","272484","2022-02-03","21:26:26",""
"4519314","12.0593","0.0001","11.7251","0.0001","21.6822","0.0002","90","","92.72","0.001","90","","3062.33","0.05","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Dy2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2","'Dy2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2'","","- C62 H44 Cl4 Dy2 N10 O12 -","- C62 H44 Cl4 Dy2 N10 O12 -","- C124 H88 Cl8 Dy4 N20 O24 -","2","0.5","","Lu, Ying-Bing; Wu, Jun-Wei; Zhu, Shui-Dong; Wang, Sheng-Qian; Zhang, Shi-Yong; Liu, Cai-Ming; Li, Rong; Li, Juan; Ai, Jia-Hao; Xie, Yong-Rong","3-Pyridylacetic-Based Lanthanide Complexes Exhibiting Magnetic Entropy Changes, Single-Molecule Magnet, and Fluorescence.","ACS omega","2022","7","3","2604","2612","10.1021/acsomega.1c04728","","","0.71073","MoKα","","0.0508","0.0424","","","0.1403","0.1558","","","","","","1.002","","","","has coordinates","272485","2022-02-03","21:26:49",""
"4519315","12.0765","0.0001","11.7333","0.0001","21.6298","0.0002","90","","92.55","","90","","3061.85","0.05","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tb2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2","'Tb2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2'","","- C62 H44 Cl4 N10 O12 Tb2 -","- C62 H44 Cl4 N10 O12 Tb2 -","- C124 H88 Cl8 N20 O24 Tb4 -","2","0.5","","Lu, Ying-Bing; Wu, Jun-Wei; Zhu, Shui-Dong; Wang, Sheng-Qian; Zhang, Shi-Yong; Liu, Cai-Ming; Li, Rong; Li, Juan; Ai, Jia-Hao; Xie, Yong-Rong","3-Pyridylacetic-Based Lanthanide Complexes Exhibiting Magnetic Entropy Changes, Single-Molecule Magnet, and Fluorescence.","ACS omega","2022","7","3","2604","2612","10.1021/acsomega.1c04728","","","0.71073","MoKα","","0.0459","0.0407","","","0.1375","0.1475","","","","","","0.977","","","","has coordinates","272486","2022-02-03","21:27:21",""
"4519316","12.0936","0.0001","11.7499","0.0002","21.6432","0.0003","90","","92.625","0.001","90","","3072.24","0.07","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Gd2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2","'Gd2(C7H6NO2)2(Cl)2(C12H8N2)4(ClO4)2'","","- C62 H44 Cl4 Gd2 N10 O12 -","- C62 H44 Cl4 Gd2 N10 O12 -","- C124 H88 Cl8 Gd4 N20 O24 -","2","0.5","","Lu, Ying-Bing; Wu, Jun-Wei; Zhu, Shui-Dong; Wang, Sheng-Qian; Zhang, Shi-Yong; Liu, Cai-Ming; Li, Rong; Li, Juan; Ai, Jia-Hao; Xie, Yong-Rong","3-Pyridylacetic-Based Lanthanide Complexes Exhibiting Magnetic Entropy Changes, Single-Molecule Magnet, and Fluorescence.","ACS omega","2022","7","3","2604","2612","10.1021/acsomega.1c04728","","","0.71073","MoKα","","0.0611","0.054","","","0.2129","0.2463","","","","","","1.005","","","","has coordinates","272487","2022-02-03","21:27:41",""
"4519317","29.689","0.005","14.194","0.002","20.253","0.003","90","","108.716","0.002","90","","8083","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H137 Br La N11 O16 -","- C66 H137 Br La N11 O16 -","- C264 H548 Br4 La4 N44 O64 -","4","1","","Zakharova, Lucia Ya; Voloshina, Alexandra D.; Ibatullina, Marina R.; Zhiltsova, Elena P.; Lukashenko, Svetlana S.; Kuznetsova, Darya A.; Kutyreva, Marianna P.; Sapunova, Anastasiia S.; Kufelkina, Anna A.; Kulik, Natalia V.; Kataeva, Olga; Ivshin, Kamil A.; Gubaidullin, Aidar T.; Salnikov, Vadim V.; Nizameev, Irek R.; Kadirov, Marsil K.; Sinyashin, Oleg G.","Self-Assembling Metallocomplexes of the Amphiphilic 1,4-Diazabicyclo[2.2.2]octane Derivative as a Platform for the Development of Nonplatinum Anticancer Drugs.","ACS omega","2022","7","3","3073","3082","10.1021/acsomega.1c06465","","","0.71073","MoKα","","0.0819","0.0471","","","0.1201","0.1381","","","","","","1.021","","","","has coordinates,has disorder","272488","2022-02-03","21:28:10",""
"4519318","5.8282","0.0016","6.931","0.0019","56.791","0.015","90","","92.934","0.003","90","","2291.1","1.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","1-Cetyl-4-aza-1-azoniabicyclo[2.2.2]octane bromide monohydrate","","- C22 H46 Br N2 O0.5 -","- C22 H46 Br N2 O0.5 -","- C88 H184 Br4 N8 O2 -","4","2","","Zakharova, Lucia Ya; Voloshina, Alexandra D.; Ibatullina, Marina R.; Zhiltsova, Elena P.; Lukashenko, Svetlana S.; Kuznetsova, Darya A.; Kutyreva, Marianna P.; Sapunova, Anastasiia S.; Kufelkina, Anna A.; Kulik, Natalia V.; Kataeva, Olga; Ivshin, Kamil A.; Gubaidullin, Aidar T.; Salnikov, Vadim V.; Nizameev, Irek R.; Kadirov, Marsil K.; Sinyashin, Oleg G.","Self-Assembling Metallocomplexes of the Amphiphilic 1,4-Diazabicyclo[2.2.2]octane Derivative as a Platform for the Development of Nonplatinum Anticancer Drugs.","ACS omega","2022","7","3","3073","3082","10.1021/acsomega.1c06465","","","0.71073","MoKα","","0.0835","0.0549","","","0.0891","0.0984","","","","","","0.943","","","","has coordinates","301408","2025-07-30","05:56:31",""
"4519345","18.071","0.003","7.8493","0.0016","21.159","0.003","90","","101.232","0.015","90","","2943.8","0.9","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24.94 H34.88 B3 Cl1.88 N2 O8 -","- C24.939 H34.878 B3 Cl1.8774 N2 O8 -","- C99.756 H139.512 B12 Cl7.5096 N8 O32 -","4","1","","Stepanova, Valeria A.; Guerrero, Andres; Schull, Cullen; Christensen, Joshua; Trudeau, Claire; Cook, Joshua; Wolmutt, Kyle; Blochwitz, Jordan; Ismail, Abdelrahman; West, Joseph K.; Wheaton, Amelia M.; Guzei, Ilia A.; Yao, Bin; Kubatova, Alena","Hybrid Synthetic and Computational Study of an Optimized, Solvent-Free Approach to Curcuminoids","ACS Omega","2022","7","8","7257","7277","10.1021/acsomega.1c07006","","x-ray","1.54178","CuKα","K-L~3~","0.0534","0.036","","","0.0831","0.0907","","","","","","1.03","","","","has coordinates,has disorder","273252","2022-03-03","21:08:43",""
"4519346","11.62","0.004","10.769","0.003","13.577","0.005","90","","98.985","0.011","90","","1678.1","1","100.01","","100.01","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 O4 -","- C21 H20 O4 -","- C84 H80 O16 -","4","0.5","","Stepanova, Valeria A.; Guerrero, Andres; Schull, Cullen; Christensen, Joshua; Trudeau, Claire; Cook, Joshua; Wolmutt, Kyle; Blochwitz, Jordan; Ismail, Abdelrahman; West, Joseph K.; Wheaton, Amelia M.; Guzei, Ilia A.; Yao, Bin; Kubatova, Alena","Hybrid Synthetic and Computational Study of an Optimized, Solvent-Free Approach to Curcuminoids","ACS Omega","2022","7","8","7257","7277","10.1021/acsomega.1c07006","","x-ray","0.71073","MoKα","K-L~3~","0.0529","0.0426","","","0.1227","0.132","","","","","","1.054","","","","has coordinates,has disorder","273253","2022-03-03","21:09:10",""
"4519347","10.6564","0.0009","7.937","0.0007","22.4894","0.0014","90","","97.249","0.004","90","","1886.9","0.3","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 O4 -","- C24 H24 O4 -","- C96 H96 O16 -","4","1","","Stepanova, Valeria A.; Guerrero, Andres; Schull, Cullen; Christensen, Joshua; Trudeau, Claire; Cook, Joshua; Wolmutt, Kyle; Blochwitz, Jordan; Ismail, Abdelrahman; West, Joseph K.; Wheaton, Amelia M.; Guzei, Ilia A.; Yao, Bin; Kubatova, Alena","Hybrid Synthetic and Computational Study of an Optimized, Solvent-Free Approach to Curcuminoids","ACS Omega","2022","7","8","7257","7277","10.1021/acsomega.1c07006","","","1.54178","CuKα","","0.035","0.0334","","","0.0865","0.0879","","","","","","1.037","","","","has coordinates","273254","2022-03-03","21:09:34",""
"4519348","5.08","0.0011","27.367","0.008","5.5795","0.0014","90","","90","","90","","775.7","0.3","100.01","","100.01","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H14 Cl2 O2 -","- C19 H14 Cl2 O2 -","- C38 H28 Cl4 O4 -","2","0.5","","Stepanova, Valeria A.; Guerrero, Andres; Schull, Cullen; Christensen, Joshua; Trudeau, Claire; Cook, Joshua; Wolmutt, Kyle; Blochwitz, Jordan; Ismail, Abdelrahman; West, Joseph K.; Wheaton, Amelia M.; Guzei, Ilia A.; Yao, Bin; Kubatova, Alena","Hybrid Synthetic and Computational Study of an Optimized, Solvent-Free Approach to Curcuminoids","ACS Omega","2022","7","8","7257","7277","10.1021/acsomega.1c07006","","x-ray","0.71073","MoKα","K-L~3~","0.023","0.0226","","","0.0607","0.061","","","","","","1.139","","","","has coordinates","273255","2022-03-03","21:09:56",""
"4519349","5.1098","0.0002","5.1098","0.0002","7.1704","0.0003","90","","90","","120","","162.137","0.011","398","","398","","","","","","","","Layered Double Hydroxide","4","P -3 1 m","-P 3 2","162","Lithium Aluminium Chloride Layered Double Hydroxide","","","- Al2 Cl Li O6 -","- Al2.00012 Cl Li O6.00024 -","- Al2.00012 Cl Li O6.00024 -","1","0.0833333","","Venkataraman, Kavitha; Thomas, Grace S.","Dehydration-Rehydration Studies on Polytypes of Chloride and Nitrate Layered Double Hydroxides of Nordstrandite and Bayerite: a Comparative Study.","ACS omega","2022","7","6","5393","5400","10.1021/acsomega.1c06630","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","7.3596","1.6","","","","","","","has coordinates","273256","2022-03-03","21:10:18",""
"4519350","5.0877","0.0016","8.814","0.003","9.0504","0.001","90","","100.51","0.03","90","","399.04","0.19","453","","453","","","","","","","","Layered Double Hydroxide","4","C 1 2/m 1","-C 2y","12","Lithium Aluminium Nitrate Layered Double Hydroxide","","","- Al2 Li N O9 -","- Al2 Li N O9 -","- Al4 Li2 N2 O18 -","2","0.25","","Venkataraman, Kavitha; Thomas, Grace S.","Dehydration-Rehydration Studies on Polytypes of Chloride and Nitrate Layered Double Hydroxides of Nordstrandite and Bayerite: a Comparative Study.","ACS omega","2022","7","6","5393","5400","10.1021/acsomega.1c06630","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","8.9546","1.8","","","","","","","has coordinates","273257","2022-03-03","21:10:40",""
"4519351","12.6185","0.0008","12.3442","0.0007","17.9746","0.001","90","","103.4","0.001","90","","2723.6","0.3","90","2","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H18 Br4 N4 -","- C32 H18 Br4 N4 -","- C128 H72 Br16 N16 -","4","1","","Boice, Geneviève N; Patrick, Brian O.; Hicks, Robin G.","Diindolylamine Preparation and Stability Investigations.","ACS omega","2022","7","6","5197","5205","10.1021/acsomega.1c06289","","","0.71073","MoKα","","0.0759","0.0416","","","0.0795","0.0895","","","","","","1.013","","","","has coordinates","273258","2022-03-03","21:11:02",""
"4519352","10.631","0.002","13.873","0.003","8.6997","0.0015","90","","90","","90","","1283.1","0.4","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(E)-4-(((2,4-dimethylphenyl)imino)methyl)phenol","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Ashfaq, Muhammad; Tahir, Muhammad Nawaz; Muhammad, Shabbir; Munawar, Khurram Shahzad; Ali, Saqib; Ahmed, Gulzar; Al-Sehemi, Abdullah G; Alarfaji, Saleh S.; Ibraheem Khan, Muhammad Ehtisham","Shedding Light on the Synthesis, Crystal Structure, Characterization, and Computational Study of Optoelectronic Properties and Bioactivity of Imine derivatives.","ACS omega","2022","7","6","5217","5230","10.1021/acsomega.1c06325","","","0.71073","MoKα","","0.1173","0.0538","","","0.1133","0.1359","","","","","","1.004","","","","has coordinates","273259","2022-03-03","21:11:41",""
"4519353","6.5137","0.0014","15.684","0.003","17.611","0.004","90","","90","","90","","1799.2","0.7","293","2","293","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 F N2 O5 -","- C15 H23 F N2 O5 -","- C60 H92 F4 N8 O20 -","4","1","","Pons, Amandine; Decaens, Jonathan; Najjar, Riham; Otog, Nansalmaa; Arribat, Mathieu; Jolly, Sandrine; Couve-Bonnaire, Samuel; Sebban, Muriel; Coadou, Gael; Oulyadi, Hassan; Speybrouck, David; Iwasa, Seiji; Charette, André B; Poisson, Thomas; Jubault, Philippe","Fluorocyclopropane-Containing Proline Analogue: Synthesis and Conformation of an Item in the Peptide Chemist's Toolbox.","ACS omega","2022","7","6","4868","4878","10.1021/acsomega.1c05337","","x-ray","0.71073","MoKα","","0.1659","0.0553","","","0.1275","0.1603","","","","","","0.869","","","","has coordinates","273260","2022-03-03","21:12:06",""
"4519354","5.6104","0.0007","5.738","0.001","17.8464","0.0017","91.354","0.01","92.008","0.009","92.293","0.012","573.53","0.13","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H6 N6 O3 -","- C10 H6 N6 O3 -","- C20 H12 N12 O6 -","2","1","","Shafran, Yuri M.; Hussein, Aqeel A.; Beliaev, Nikolai A.; Shevyrin, Vadim A.; Shityakov, Sergey; Beryozkina, Tetyana V.; Bakulev, Vasiliy A.","Selective Synthesis of Azoloyl <i>NH</i>-1,2,3-Triazoles and Azolyl Diazoketones: Experimental and Computational Insights.","ACS omega","2022","7","6","5008","5031","10.1021/acsomega.1c05898","","x-ray","0.71073","MoKα","","0.1446","0.055","","","0.1109","0.158","","","","","","1.005","","","","has coordinates","273261","2022-03-03","21:12:29",""
"4519355","16.633","0.004","6.8163","0.0008","25.874","0.004","90","","90.625","0.017","90","","2933.3","0.9","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 N6 O2 -","- C11 H18 N6 O2 -","- C88 H144 N48 O16 -","8","1","","Shafran, Yuri M.; Hussein, Aqeel A.; Beliaev, Nikolai A.; Shevyrin, Vadim A.; Shityakov, Sergey; Beryozkina, Tetyana V.; Bakulev, Vasiliy A.","Selective Synthesis of Azoloyl <i>NH</i>-1,2,3-Triazoles and Azolyl Diazoketones: Experimental and Computational Insights.","ACS omega","2022","7","6","5008","5031","10.1021/acsomega.1c05898","","x-ray","0.71073","MoKα","","0.1699","0.07","","","0.1607","0.2229","","","","","","1.002","","","","has coordinates","273262","2022-03-03","21:13:05",""
"4519356","8.7961","0.0001","16.2533","0.0003","14.8259","0.0002","90","","93.4435","0.0005","90","","2115.77","0.05","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N O4 -","- C26 H21 N O4 -","- C104 H84 N4 O16 -","4","1","","Murugan, Sivan Perumal; Zhong, Hong-Jie; Wu, Chih-Yu; Pan, Hao-Wei; Chen, Chinpiao; Lee, Gene-Hsian","Camphorsulfonic Acid-Mediated One-Pot Tandem Consecutive via the Ugi Four-Component Reaction for the Synthesis of Functionalized Indole and 2-Quinolone Derivatives by Switching Solvents.","ACS omega","2022","7","7","5713","5729","10.1021/acsomega.1c05460","","","1.54178","CuKα","","0.0472","0.0422","","","0.113","0.1198","","","","","","1.025","","","","has coordinates","273263","2022-03-03","21:13:27",""
"4519357","10.0432","0.0003","9.4172","0.0003","22.1188","0.0006","90","","98.0439","0.0009","90","","2071.39","0.11","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H19 N O -","- C29 H19 N O -","- C116 H76 N4 O4 -","4","1","","Murugan, Sivan Perumal; Zhong, Hong-Jie; Wu, Chih-Yu; Pan, Hao-Wei; Chen, Chinpiao; Lee, Gene-Hsian","Camphorsulfonic Acid-Mediated One-Pot Tandem Consecutive via the Ugi Four-Component Reaction for the Synthesis of Functionalized Indole and 2-Quinolone Derivatives by Switching Solvents.","ACS omega","2022","7","7","5713","5729","10.1021/acsomega.1c05460","","","1.54178","CuKα","","0.0438","0.0391","","","0.1002","0.1067","","","","","","1.039","","","","has coordinates","273264","2022-03-03","21:13:51",""
"4519358","6.264","0.0002","17.8352","0.0005","15.8767","0.0004","90","","97.605","0.0011","90","","1758.14","0.09","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N O -","- C24 H17 N O -","- C96 H68 N4 O4 -","4","1","","Murugan, Sivan Perumal; Zhong, Hong-Jie; Wu, Chih-Yu; Pan, Hao-Wei; Chen, Chinpiao; Lee, Gene-Hsian","Camphorsulfonic Acid-Mediated One-Pot Tandem Consecutive via the Ugi Four-Component Reaction for the Synthesis of Functionalized Indole and 2-Quinolone Derivatives by Switching Solvents.","ACS omega","2022","7","7","5713","5729","10.1021/acsomega.1c05460","","","0.71073","MoKα","","0.0594","0.0493","","","0.127","0.1359","","","","","","1.022","","","","has coordinates","273265","2022-03-03","21:14:14",""
"4519359","14.8518","0.0004","15.7023","0.0005","25.8545","0.0007","90","","90","","90","","6029.5","0.3","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32.25 H30.5 Cl0.5 N2 O3 -","- C32.25 H30.5 Cl0.5 N2 O3 -","- C258 H244 Cl4 N16 O24 -","8","1","","Murugan, Sivan Perumal; Zhong, Hong-Jie; Wu, Chih-Yu; Pan, Hao-Wei; Chen, Chinpiao; Lee, Gene-Hsian","Camphorsulfonic Acid-Mediated One-Pot Tandem Consecutive via the Ugi Four-Component Reaction for the Synthesis of Functionalized Indole and 2-Quinolone Derivatives by Switching Solvents.","ACS omega","2022","7","7","5713","5729","10.1021/acsomega.1c05460","","","0.71073","MoKα","","0.0823","0.0664","","","0.186","0.1995","","","","","","1.044","","","","has coordinates","273266","2022-03-03","21:14:48",""
"4519360","7.1468","0.0002","17.7533","0.0006","8.5534","0.0002","90","","103.318","0.001","90","","1056.06","0.05","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Co N2 O5 -","- C8 H10 Co N2 O5 -","- C32 H40 Co4 N8 O20 -","4","1","","D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N.","Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection.","ACS omega","2022","7","7","5698","5712","10.1021/acsomega.1c05216","","","0.71073","MoKα","","0.0389","0.0281","","","0.0629","0.0693","","","","","","1.063","","","","has coordinates","273267","2022-03-03","21:15:10",""
"4519361","12.1608","0.0005","7.5544","0.0003","8.6393","0.0004","90","","90.528","0.001","90","","793.64","0.06","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Co N2 O4 -","- C6 H6 Co N2 O4 -","- C24 H24 Co4 N8 O16 -","4","0.5","","D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N.","Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection.","ACS omega","2022","7","7","5698","5712","10.1021/acsomega.1c05216","","","0.71073","MoKα","","0.0306","0.0298","","","0.0817","0.0822","","","","","","1.224","","","","has coordinates","273268","2022-03-03","21:15:35",""
"4519362","10.316","0.004","7.114","0.003","9.458","0.004","90","","90","","90","","694.1","0.5","296","2","296","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C8 H16 Co N2 O8 -","- C8 H16 Co N2 O8 -","- C16 H32 Co2 N4 O16 -","2","0.25","","D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N.","Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection.","ACS omega","2022","7","7","5698","5712","10.1021/acsomega.1c05216","","","0.71076","MoKα","","0.0422","0.0357","","","0.0793","0.083","","","","","","1.196","","","","has coordinates","273269","2022-03-03","21:15:57",""
"4519363","7.4075","0.0003","14.8143","0.0006","7.7787","0.0003","90","","99.741","0.001","90","","841.3","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 Co O8 -","- C4 H12 Co O8 -","- C16 H48 Co4 O32 -","4","1","","D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N.","Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection.","ACS omega","2022","7","7","5698","5712","10.1021/acsomega.1c05216","","","0.71073","MoKα","","0.0283","0.0225","","","0.0557","0.0596","","","","","","1.06","","","","has coordinates","273270","2022-03-03","21:16:19",""
"4519364","12.7414","0.0005","6.7729","0.0002","13.4227","0.0004","90","","107.659","0.001","90","","1103.75","0.06","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Co N2 O6 -","- C8 H12 Co N2 O6 -","- C32 H48 Co4 N8 O24 -","4","0.5","","D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N.","Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection.","ACS omega","2022","7","7","5698","5712","10.1021/acsomega.1c05216","","","0.71073","MoKα","","0.0472","0.0294","","","0.0676","0.0772","","","","","","1.066","","","","has coordinates","273271","2022-03-03","21:16:42",""
"4519365","7.7368","0.0004","9.0843","0.0005","11.321","0.0006","90.118","0.001","99.312","0.001","97.756","0.001","777.78","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Co2 N2 O10 -","- C12 H16 Co2 N2 O10 -","- C24 H32 Co4 N4 O20 -","2","1","","D'souza, Luann R.; Harmalkar, Nikita N.; Harmalkar, Sarvesh S.; Tayade, Sakharam B.; Dhuri, Sunder N.","Construction of Pyrazine-Appended 1D and 3D Cobalt(II) Succinate Coordination Polymers: Influence of Solvent on Architectures and Applications in Gas Adsorption and NAC Detection.","ACS omega","2022","7","7","5698","5712","10.1021/acsomega.1c05216","","","0.71073","MoKα","","0.0449","0.0309","","","0.0664","0.0737","","","","","","1.054","","","","has coordinates","273272","2022-03-03","21:17:05",""
"4519394","8.5453","0.0003","22.0815","0.0007","24.6638","0.0008","90","","97.013","0.001","90","","4619.1","0.3","120","2","120","2","","","","","","","synthesized by the authors","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H40 B Cl2 F4 N -","- C60 H40 B Cl2 F4 N -","- C240 H160 B4 Cl8 F16 N4 -","4","1","","Ulč, Jan; Asanuma, Yuya; Moss, Robert; Manca, Gabriele; Císařová, Ivana; Kotora, Martin","Computational, Mechanistic, and Experimental Insights into Regioselective Catalytic C-C Bond Activation in Linear 1-Aza-[3]triphenylene.","ACS omega","2022","7","10","8665","8674","10.1021/acsomega.1c06664","","","1.54178","CuKα","","0.0436","0.0431","","","0.1074","0.1078","","","","","","1.035","","","","has coordinates","274250","2022-04-03","20:08:28",""
"4519395","11.0371","0.0006","13.4132","0.0007","15.606","0.0009","70.893","0.002","73.798","0.002","74.546","0.002","2057","0.2","120","2","120","2","","","","","","","synthesized by the authors","4","P -1","-P 1","2","","","","- C51 H45 N Si2 -","- C51 H45 N Si2 -","- C102 H90 N2 Si4 -","2","1","","Ulč, Jan; Asanuma, Yuya; Moss, Robert; Manca, Gabriele; Císařová, Ivana; Kotora, Martin","Computational, Mechanistic, and Experimental Insights into Regioselective Catalytic C-C Bond Activation in Linear 1-Aza-[3]triphenylene.","ACS omega","2022","7","10","8665","8674","10.1021/acsomega.1c06664","","","1.54178","CuKα","","0.0414","0.036","","","0.0918","0.0952","","","","","","1.019","","","","has coordinates","274251","2022-04-03","20:08:54",""
"4519396","8.2706","0.0003","34.0842","0.0013","15.5666","0.0005","90","","94.273","0.002","90","","4376","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H47 Cl2 N Si2 -","- C52 H47 Cl2 N Si2 -","- C208 H188 Cl8 N4 Si8 -","4","1","","Ulč, Jan; Asanuma, Yuya; Moss, Robert; Manca, Gabriele; Císařová, Ivana; Kotora, Martin","Computational, Mechanistic, and Experimental Insights into Regioselective Catalytic C-C Bond Activation in Linear 1-Aza-[3]triphenylene.","ACS omega","2022","7","10","8665","8674","10.1021/acsomega.1c06664","","","1.54178","CuKα","","0.0692","0.0591","","","0.1406","0.1454","","","","","","1.12","","","","has coordinates","274252","2022-04-03","20:09:20",""
"4519397","15.5106","0.0007","4.9274","0.0002","18.1757","0.0009","90","","99.752","0.007","90","","1369.04","0.11","138","2","138","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-Phenylbenzo[4,5]pentaleno[1,2-c]thiophene","","- C20 H12 S -","- C20 H12 S -","- C80 H48 S4 -","4","1","","Gazdag, Tamás; Mayer, Péter J; Kalapos, Péter Pál; Holczbauer, Tamás; El Bakouri, Ouissam; London, Gábor","Unsymmetrical Thienopentalenes: Synthesis, Optoelectronic Properties, and (Anti)aromaticity Analysis.","ACS omega","2022","7","10","8336","8349","10.1021/acsomega.1c05618","","","0.71075","MoKα","","0.0639","0.058","","","0.1243","0.1272","","","","","","1.168","","","","has coordinates,has disorder","274253","2022-04-03","20:09:45",""
"4519398","44.87","0.02","8.909","0.004","14.807","0.007","90","","90.851","0.009","90","","5918","5","210","2","210","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 Co2 N2 O12 S -","- C27 H20 Co2 N2 O12 S -","- C216 H160 Co16 N16 O96 S8 -","8","1","","Rothman, Jeffrey H.","Synthesis of Endocyclic Cycloalkyne Amino Acids.","ACS omega","2022","7","10","9053","9060","10.1021/acsomega.2c00270","","","0.71073","MoKα","","0.0824","0.0567","","","0.1403","0.1608","","","","","","1.053","","","","has coordinates","274254","2022-04-03","20:10:13",""
"4519399","9.2143","0.0002","12.7406","0.0003","12.62","0.0003","85.167","0.001","73.242","0.001","71.786","0.001","1347.51","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H42 F4 N4 -","- C52 H42 F4 N4 -","- C52 H42 F4 N4 -","1","0.5","","Chou, Pallas; Kim, Lauren; Marzouk, Sammer M.; Sun, Rui; Hartnett, Alaina C.; Dogutan, Dilek K.; Zheng, Shao-Liang; Nocera, Daniel G.","Synthesis, Characterization, and Hydrogen Evolution Activity of Metallo-<i>meso</i>-(4-fluoro-2,6-dimethylphenyl)porphyrin Derivatives.","ACS omega","2022","7","10","8988","8994","10.1021/acsomega.2c00109","","","1.54178","CuKα","","0.0675","0.0528","","","0.1536","0.1666","","","","","","1.086","","","","has coordinates,has disorder","274255","2022-04-03","20:10:33",""
"4519400","9.5087","0.0001","7.8793","0.0001","18.5965","0.0002","90","","91.407","0.001","90","","1392.87","0.03","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H39 N O14 -","- C23 H39 N O14 -","- C46 H78 N2 O28 -","2","1","","Zhang, Tingting; Yang, Shiying; Zhang, Baoxi; Yang, Dezhi; Lu, Yang; Du, Guanhua","Insights Into the Properties of Amygdalin Solvatomorphs: X-ray Structures, Intermolecular Interactions, and Transformations.","ACS omega","2022","7","10","8906","8918","10.1021/acsomega.1c07314","","","1.54184","CuKα","","0.0476","0.0452","","","0.1239","0.1282","","","","","","1.064","","","","has coordinates,has disorder","274257","2022-04-03","20:10:54",""
"4519401","9.41201","0.00005","7.9414","0.00005","19.98256","0.00011","90","","97.5366","0.0005","90","","1480.68","0.015","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H43 N O14 -","- C25 H43 N O14 -","- C50 H86 N2 O28 -","2","1","","Zhang, Tingting; Yang, Shiying; Zhang, Baoxi; Yang, Dezhi; Lu, Yang; Du, Guanhua","Insights Into the Properties of Amygdalin Solvatomorphs: X-ray Structures, Intermolecular Interactions, and Transformations.","ACS omega","2022","7","10","8906","8918","10.1021/acsomega.1c07314","","","1.54184","CuKα","","0.0328","0.0326","","","0.0913","0.0916","","","","","","1.038","","","","has coordinates","274258","2022-04-03","20:11:16",""
"4519402","9.41164","0.00019","7.95651","0.00014","20.651","0.0004","90","","100.299","0.0017","90","","1521.51","0.05","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H45 N O14 -","- C26 H45 N O14 -","- C52 H90 N2 O28 -","2","1","","Zhang, Tingting; Yang, Shiying; Zhang, Baoxi; Yang, Dezhi; Lu, Yang; Du, Guanhua","Insights Into the Properties of Amygdalin Solvatomorphs: X-ray Structures, Intermolecular Interactions, and Transformations.","ACS omega","2022","7","10","8906","8918","10.1021/acsomega.1c07314","","x-ray","1.54184","CuKα","","0.0558","0.0541","","","0.1541","0.1574","","","","","","1.132","","","","has coordinates,has disorder","274259","2022-04-03","20:11:38",""
"4519403","14.3012","0.0012","8.9089","0.0008","16.767","0.0014","90","","96.005","0.001","90","","2124.5","0.3","296.15","","296.15","","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C49 H36 Au2 P2 S4 -","- C49 H36 Au2 P2 S4 -","- C98 H72 Au4 P4 S8 -","2","1","","Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro","Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution.","ACS omega","2022","7","11","9594","9601","10.1021/acsomega.1c06938","","","0.71073","MoKα","","0.013","0.0125","","","0.0272","0.0273","","","","","","0.735","","","","has coordinates","274260","2022-04-03","20:12:02",""
"4519404","16.0501","0.0002","17.0934","0.0002","20.701","0.0003","91.582","0.001","108.552","0.001","96.765","0.001","5333.93","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H87 Au4 Cl8 P4 S8 -","- C108 H87 Au4 Cl8 P4 S8 -","- C216 H174 Au8 Cl16 P8 S16 -","2","1","","Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro","Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution.","ACS omega","2022","7","11","9594","9601","10.1021/acsomega.1c06938","","x-ray","1.54184","CuKα","","0.0728","0.0675","","","0.1912","0.1961","","","","","","1.04","","","","has coordinates","274261","2022-04-03","20:12:29",""
"4519405","18.48","0.0004","16.1182","0.0003","33.0678","0.0006","90","","90","","90","","9849.7","0.3","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C111 H98 Au4 O3 P4 S8 -","- C111 H98 Au4 O3 P4 S8 -","- C444 H392 Au16 O12 P16 S32 -","4","0.5","","Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro","Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution.","ACS omega","2022","7","11","9594","9601","10.1021/acsomega.1c06938","","x-ray","1.54184","CuKα","","0.0354","0.0302","","","0.0755","0.0779","","","","","","1.06","","","","has coordinates","274262","2022-04-03","20:12:55",""
"4519406","12.3768","0.0001","16.5846","0.0002","21.3999","0.0002","90","","101.368","0.001","90","","4306.46","0.08","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H38 Au2 P2 S4 -","- C50 H38 Au2 P2 S4 -","- C200 H152 Au8 P8 S16 -","4","1","","Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro","Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution.","ACS omega","2022","7","11","9594","9601","10.1021/acsomega.1c06938","","x-ray","1.54184","CuKα","","0.0289","0.0255","","","0.0619","0.0633","","","","","","1.038","","","","has coordinates","274263","2022-04-03","20:13:20",""
"4519407","21.019","0.0018","7.8788","0.0007","46.469","0.004","90","","97.275","0.001","90","","7633.5","1.1","73","","73","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H20 S4 -","- C34 H20 S4 -","- C408 H240 S48 -","12","3","","Abe, Ryota; Tsuchido, Yoshitaka; Ide, Tomohito; Koizumi, Take-Aki; Osakada, Kohtaro","Digold(I) Thianthrenyl Complexes. Effect of Diphosphine Ligands on Molecular Structures in the Solid State and in Solution.","ACS omega","2022","7","11","9594","9601","10.1021/acsomega.1c06938","","","0.71073","MoKα","","0.0811","0.0473","","","0.0949","0.1048","","","","","","1.01","","","","has coordinates","274264","2022-04-03","20:13:46",""
"4519408","10.2644","0.001","15.054","0.0009","10.2555","0.001","90","","119.67","0.007","90","","1376.9","0.2","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H48 N6 Si2 -","- C24.004 H48.008 N6.001 Si1.9966 -","- C48.008 H96.016 N12.002 Si3.9932 -","2","0.5","","Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin","Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior.","ACS omega","2022","7","11","9527","9536","10.1021/acsomega.1c06868","","","0.71073","MoKα","","0.0678","0.0495","","","0.1349","0.1452","","","","","","1.049","","","","has coordinates,has disorder","274265","2022-04-03","20:15:21",""
"4519409","10.0211","0.0005","17.9266","0.0008","15.5703","0.0008","90","","103.901","0.004","90","","2715.2","0.2","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H48 N6 Si2 -","- C24 H48 N6 Si2 -","- C96 H192 N24 Si8 -","4","1","","Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin","Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior.","ACS omega","2022","7","11","9527","9536","10.1021/acsomega.1c06868","","","0.71073","MoKα","","0.0672","0.0453","","","0.1176","0.1313","","","","","","1.086","","","","has coordinates,has disorder","274265","2022-04-03","20:15:21",""
"4519410","10.2419","0.0007","11.9781","0.0008","13.8119","0.0008","72.61","0.005","89.884","0.005","68.752","0.005","1496.25","0.18","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H46 N4 O9 Si2 -","- C22 H46 N4 O9 Si2 -","- C44 H92 N8 O18 Si4 -","2","1","","Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin","Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior.","ACS omega","2022","7","11","9527","9536","10.1021/acsomega.1c06868","","","0.71073","MoKα","","0.0447","0.0371","","","0.099","0.1035","","","","","","1.054","","","","has coordinates,has disorder","274265","2022-04-03","20:15:21",""
"4519411","18.6575","0.0005","6.3147","0.0001","16.0768","0.0004","90","","96.139","0.002","90","","1883.25","0.08","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 N2 O4 Si2 -","- C14 H28 N2 O4 Si2 -","- C56 H112 N8 O16 Si8 -","4","1","","Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin","Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior.","ACS omega","2022","7","11","9527","9536","10.1021/acsomega.1c06868","","","0.71073","MoKα","","0.0475","0.0374","","","0.0914","0.0963","","","","","","1.103","","","","has coordinates,has disorder","274265","2022-04-03","20:15:21",""
"4519412","9.773","0.0003","11.6396","0.0003","16.0521","0.0005","86.509","0.002","75.909","0.002","86.201","0.002","1765.26","0.09","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 Cl6 N4 O8 Si2 -","- C23.999 H39.999 Cl5.997 N4 O8 Si2 -","- C47.998 H79.998 Cl11.994 N8 O16 Si4 -","2","1","","Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin","Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior.","ACS omega","2022","7","11","9527","9536","10.1021/acsomega.1c06868","","","0.71073","MoKα","","0.0449","0.0368","","","0.0909","0.0949","","","","","","1.063","","","","has coordinates,has disorder","274265","2022-04-03","20:15:22",""
"4519413","7.6684","0.0009","8.5044","0.0009","8.923","0.001","67.142","0.008","66.196","0.008","88.7","0.009","484.36","0.11","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H32 N2 O4 Si2 -","- C16 H32 N2 O4 Si2 -","- C16 H32 N2 O4 Si2 -","1","0.5","","Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin","Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior.","ACS omega","2022","7","11","9527","9536","10.1021/acsomega.1c06868","","","0.71073","MoKα","","0.0327","0.0291","","","0.0773","0.0801","","","","","","1.064","","","","has coordinates","274265","2022-04-03","20:15:22",""
"4519414","9.3555","0.0006","19.1906","0.0008","10.8119","0.0006","90","","91.602","0.005","90","","1940.38","0.18","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H48 Cl6 N4 O8 Si2 -","- C28 H48 Cl6 N4 O8 Si2 -","- C56 H96 Cl12 N8 O16 Si4 -","2","0.5","","Ryll, Christopher; Kraushaar, Konstantin; Wagler, Jörg; Brendler, Erica; Kroke, Edwin","Disilanes with Pentacoordinate Si Atoms by Carbon Dioxide Insertion into Aminodisilanes: Syntheses, Molecular Structures, and Dynamic Behavior.","ACS omega","2022","7","11","9527","9536","10.1021/acsomega.1c06868","","","0.71073","MoKα","","0.0455","0.0336","","","0.0826","0.0893","","","","","","1.072","","","","has coordinates,has disorder","274265","2022-04-03","20:15:22",""
"4519415","26.638","0.003","13.754","0.002","7.5085","0.0009","90","","90","","90","","2751","0.6","296","2","296","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","(E)-2-methoxy-6-(((4-(trifluoromethyl)phenyl)imino)methyl)phenol","","- C15 H12 F3 N O2 -","- C15 H12 F2.994 N O2 -","- C120 H96 F23.952 N8 O16 -","8","1","","Ashfaq, Muhammad; Khalid, Muhammad; Tahir, Muhammad Nawaz; Ali, Akbar; Arshad, Muhammad Nadeem; Asiri, Abdullah M.","Synthesis of Crystalline Fluoro-Functionalized Imines, Single Crystal Investigation, Hirshfeld Surface Analysis, and Theoretical Exploration.","ACS omega","2022","7","11","9867","9878","10.1021/acsomega.2c00288","","","0.71073","MoKα","","0.0572","0.0387","","","0.076","0.0842","","","","","","1.016","","","","has coordinates,has disorder","274266","2022-04-03","20:16:22",""
"4519416","7.1922","0.0018","7.5334","0.0016","12.289","0.003","90","","100.816","0.011","90","","654","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(E)-2-methoxy-6-(((4-(trifluoromethyl)phenyl)imino)methyl)phenol","","- C17 H12 F N O -","- C17 H12 F N O -","- C34 H24 F2 N2 O2 -","2","1","","Ashfaq, Muhammad; Khalid, Muhammad; Tahir, Muhammad Nawaz; Ali, Akbar; Arshad, Muhammad Nadeem; Asiri, Abdullah M.","Synthesis of Crystalline Fluoro-Functionalized Imines, Single Crystal Investigation, Hirshfeld Surface Analysis, and Theoretical Exploration.","ACS omega","2022","7","11","9867","9878","10.1021/acsomega.2c00288","","","0.71073","MoKα","","0.0802","0.0449","","","0.0979","0.1139","","","","","","1.001","","","","has coordinates","274267","2022-04-03","20:16:46",""
"4519417","7.6501","0.0006","12.0632","0.001","13.6914","0.0016","90","","90","","90","","1263.5","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O -","- C15 H15 N O -","- C60 H60 N4 O4 -","4","1","","Tatlidil, Digdem; Raza, Muhammad Asam; Dege, Necmi; Agar, Aysen Alaman; Farwa, Umme; Rehman, Shafiq Ur","Therapeutical Potential of Imines; Synthesis, Single Crystal Structure, Computational, Molecular Modeling, and ADMET Evaluation","ACS Omega","2022","7","12","10568","10579","10.1021/acsomega.2c00102","","","0.71073","MoKα","","0.0635","0.0395","","","0.0779","0.0849","","","","","","0.968","","","","has coordinates","274268","2022-04-03","20:17:07",""
"4519418","5.731","0.0002","12.9388","0.0008","18.826","0.001","90","","90","","90","","1395.99","0.12","296","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C64 H68 N4 O8 -","4","1","","Tatlidil, Digdem; Raza, Muhammad Asam; Dege, Necmi; Agar, Aysen Alaman; Farwa, Umme; Rehman, Shafiq Ur","Therapeutical Potential of Imines; Synthesis, Single Crystal Structure, Computational, Molecular Modeling, and ADMET Evaluation","ACS Omega","2022","7","12","10568","10579","10.1021/acsomega.2c00102","","","0.71073","MoKα","","0.0579","0.0369","","","0.0867","0.0959","","","","","","0.947","","","","has coordinates","274269","2022-04-03","20:17:42",""
"4519419","8.6522","0.0008","32.232","0.003","14.3606","0.0013","90","","97.169","0.002","90","","3973.5","0.6","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 O5 -","- C24 H26 O5 -","- C192 H208 O40 -","8","2","","Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P.","Structure–Property Relationships of Dibenzylidenecyclohexanones","ACS Omega","2022","7","12","10087","10099","10.1021/acsomega.1c06129","","","0.71073","MoKα","","0.1212","0.0595","","","0.1271","0.1415","","","","","","1.013","","","","has coordinates","274270","2022-04-03","20:18:04",""
"4519420","8.8899","0.0003","9.4022","0.0003","20.6943","0.0007","90","","100.172","0.001","90","","1702.54","0.1","173.15","","173.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O3 -","- C22 H22 O3 -","- C88 H88 O12 -","4","1","","Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P.","Structure–Property Relationships of Dibenzylidenecyclohexanones","ACS Omega","2022","7","12","10087","10099","10.1021/acsomega.1c06129","","","0.71073","MoKα","","0.0513","0.0403","","","0.1071","0.1129","","","","","","1.037","","","","has coordinates","274271","2022-04-03","20:18:37",""
"4519421","21.798","0.003","8.9774","0.0016","9.6932","0.0018","90","","90","","90","","1896.9","0.6","150","2","150","2","","","","","","","","4","C m c 21","C 2c -2","36","","(2E,6E)-2,6-bis[4-(dimethylamino)benzylidene]cyclohexanone","","- C24 H28 N2 O -","- C24 H28 N2 O -","- C96 H112 N8 O4 -","4","0.5","","Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P.","Structure–Property Relationships of Dibenzylidenecyclohexanones","ACS Omega","2022","7","12","10087","10099","10.1021/acsomega.1c06129","","","0.71073","MoKα","","0.0713","0.0457","","","0.0995","0.1087","","","","","","1.032","","","","has coordinates","274272","2022-04-03","20:19:03",""
"4519422","9.2176","0.0011","22.382","0.003","18.333","0.002","90","","103.619","0.002","90","","3675.9","0.8","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2E,6E)-2,6-bis[4-(methylthio)benzylidene]cyclohexanone","","- C22 H22 O S2 -","- C22 H22 O S2 -","- C176 H176 O8 S16 -","8","2","","Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P.","Structure–Property Relationships of Dibenzylidenecyclohexanones","ACS Omega","2022","7","12","10087","10099","10.1021/acsomega.1c06129","","","0.71073","MoKα","","0.1898","0.1075","","","0.296","0.324","","","","","","1.062","","","","has coordinates","274273","2022-04-03","20:19:31",""
"4519423","9.4669","0.0003","18.2488","0.0007","9.3371","0.0003","90","","115.269","0.001","90","","1458.72","0.09","170.15","","170.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O -","- C20 H18 O -","- C80 H72 O4 -","4","1","","Fomina, Marina V.; Vatsadze, Sergey Z.; Freidzon, Alexandra Ya.; Kuz’mina, Lyudmila G.; Moiseeva, Anna A.; Starostin, Roman O.; Nuriev, Vyacheslav N.; Gromov, Sergey P.","Structure–Property Relationships of Dibenzylidenecyclohexanones","ACS Omega","2022","7","12","10087","10099","10.1021/acsomega.1c06129","","","0.71073","MoKα","","0.0483","0.0403","","","0.1082","0.1122","","","","","","1.061","","","","has coordinates","274274","2022-04-03","20:19:52",""
"5000041","9.363","0.002","9.363","0.002","6.878","0.002","90","","90","","120","","522.2","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Calcium tris(phosphate) fluoride","Fluorapatite","?","- Ca4.938 F0.906 O11.862 P3.024 -","- Ca9.876 F1.812 O23.724 P6.048 -","2","0.166667","","Sudarsanan, K; Mackie, P E; Young, R A","","Materials Research Bulletin","1972","7","","1331","1338","10.1016/0025-5408(72)90113-4","","","","","","0.029","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"5000079","6.188","0.001","11.863","0.002","12.058","0.002","90","","91.91","0.01","90","","884.66","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","pregnenolone","","","- C21 H32 O2 -","- C21 H32 O2 -","- C42 H64 O4 -","2","1","","Bordner, J.; Hennesee, G. L. A.; Chandross, R. J.","","Crystal Structure Communications","1978","7","","513","515","","","","","","","","","","","","","","","","","","","","","","has coordinates","187368","2020-10-21","18:00:00",""
"5000106","9.254","0.002","19.127","0.004","9.704","0.002","90","","90","","90","","1717.62","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C6 H3 N3 O7 -","- C6 H1.5 N3 O7 -","- C48 H12 N24 O56 -","8","2","","Duesler, E. N.; Engelmann, J. H.; Curtin, D. Y.; Paul, I. C.","Picric acid: C~6~H~3~N~3~O~7~","Crystal Structure Communications","1978","7","","449","453","","","","","","","","","","","","","","","","","","","","","","has coordinates","175295","2020-10-21","18:00:00",""
"5000167","8.408","0.003","5.792","0.004","9.777","0.003","90","","118.57","0.03","90","","418.15","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Acrylamide","","- C3 H5 N O -","- C3 H5 N O -","- C12 H20 N4 O4 -","4","1","","Isakov, I. V.","Crystal structure of acrylamide","Journal of Structural Chemistry","1967","7","6","836","837","10.1007/BF00761167","","","","","","","","","","","","","","","","","","","","","has coordinates","301844","2025-08-21","10:11:30",""
"5000210","11.89","0.04","10.74","0.03","12.19","0.04","90","","106.58","","90","","1491.9","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Sodium borate hydrate *","Borax","- B4 H20 Na2 O17 -","- B4 H30 Na2 O17 -","- B16 H120 Na8 O68 -","4","0.5","","Font, y Tullot J M","Borax as crystalline chain structure","Estudios Geologicos (Madrid)","1947","7","","13","20","","","","","","","","","","","","","","","","","","","","","","has coordinates","176451","2020-10-21","18:00:00",""
"7118071","13.678","0.005","10.566","0.005","12.076","0.005","90","","90","","90","","1745.2","1.3","100","2","100","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H6 Ag N3 O3 -","- C8 H6 Ag N3 O3 -","- C64 H48 Ag8 N24 O24 -","8","2","","Savić, Nada D.; Glišić, Biljana Đ.; Wadepohl, Hubert; Pavic, Aleksandar; Senerovic, Lidija; Nikodinovic-Runic, Jasmina; Djuran, Miloš I.","Silver(i) complexes with quinazoline and phthalazine: synthesis, structural characterization and evaluation of biological activities","Med. Chem. Commun.","2016","7","2","282","","10.1039/C5MD00494B","","x-ray","0.71073","MoKα","","0.0269","0.0219","","","0.0453","0.0474","","","","","","1.056","","","","has coordinates","177881","2020-10-21","18:00:00",""
"7118072","7.544","0.003","8.109","0.004","11.175","0.005","110.495","0.012","99.22","0.009","98.036","0.011","617.7","0.5","100","2","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Ag2 B2 F8 N6 -","- C20 H18 Ag2 B2 F8 N6 -","- C20 H18 Ag2 B2 F8 N6 -","1","0.5","","Savić, Nada D.; Glišić, Biljana Đ.; Wadepohl, Hubert; Pavic, Aleksandar; Senerovic, Lidija; Nikodinovic-Runic, Jasmina; Djuran, Miloš I.","Silver(i) complexes with quinazoline and phthalazine: synthesis, structural characterization and evaluation of biological activities","Med. Chem. Commun.","2016","7","2","282","","10.1039/C5MD00494B","","x-ray","0.71073","MoKα","","0.0222","0.0196","","","0.046","0.0471","","","","","","1.071","","","","has coordinates","301857","2025-08-21","22:47:31",""
"7118950","14.6162","0.0011","16.3774","0.0008","12.5927","0.0011","90","","90","","90","","3014.4","0.4","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C28 H20 Br2 Co N4 O4 -","- C28 H20 Br2 Co N4 O4 -","- C112 H80 Br8 Co4 N16 O16 -","4","0.5","","Zhang, Hai-Rong; Huang, Ke-Bin; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Meng, Ting; Qin, Qi-Pin; Zou, Bi-Qun; Liang, Hong","Cobalt(ii) 8-hydroxyquinoline complexes: structure, cytotoxicity and action mechanism","Med. Chem. Commun.","2016","7","5","806","","10.1039/C6MD00073H","","","0.7107","MoKα","","0.1571","0.0934","","","0.2749","0.336","","","","","","1.048","","","","has coordinates,has disorder","183716","2020-10-21","18:00:00",""
"7118951","17.88","0.004","13.11","0.003","14.44","0.003","90","","112.47","0.03","90","","3127.9","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Co N6 O8 -","- C32 H24 Co N6 O8 -","- C128 H96 Co4 N24 O32 -","4","0.5","","Zhang, Hai-Rong; Huang, Ke-Bin; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Meng, Ting; Qin, Qi-Pin; Zou, Bi-Qun; Liang, Hong","Cobalt(ii) 8-hydroxyquinoline complexes: structure, cytotoxicity and action mechanism","Med. Chem. Commun.","2016","7","5","806","","10.1039/C6MD00073H","","","0.71073","MoKα","","0.1138","0.0943","","","0.248","0.2596","","","","","","1.155","","","","has coordinates","183716","2020-10-21","18:00:00",""
"7118952","17.9171","0.0008","17.9171","0.0008","17.1784","0.0008","90","","90","","90","","5514.7","0.4","293","2","293","2","","","","","","","","5","P 4/n n c","-P 4a 2bc","126","","","","- C32 H24 Co N6 O4.25 -","- C32 H24 Co N6 O4.25 -","- C256 H192 Co8 N48 O34 -","8","","","Zhang, Hai-Rong; Huang, Ke-Bin; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Meng, Ting; Qin, Qi-Pin; Zou, Bi-Qun; Liang, Hong","Cobalt(ii) 8-hydroxyquinoline complexes: structure, cytotoxicity and action mechanism","Med. Chem. Commun.","2016","7","5","806","","10.1039/C6MD00073H","","","0.71073","MoKα","","0.1187","0.0793","","","0.2405","0.2728","","","","","","1.054","","","","has coordinates","183716","2020-10-21","18:00:00",""
"7118953","11.9747","0.0009","15.8152","0.0006","14.1457","0.001","90","","114.424","0.009","90","","2439.2","0.3","293","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 N6 O6 Zn -","- C25 H24 N6 O6 Zn -","- C100 H96 N24 O24 Zn4 -","4","0.5","","Zou, Hua-Hong; Wei, Jun-Guang; Qin, Xiao-Huan; Mo, Shun-Gui; Qin, Qi-Pin; Liu, Yan-Cheng; Liang, Fu-Pei; Zhang, Yun-Liang; Chen, Zhen-Feng","Synthesis, crystal structure, cytotoxicity and action mechanism of Zn(ii) and Mn(ii) complexes with 4-([2,2′:6′,2′′-terpyridin]-4′-yl)-N,N-diethylaniline as a ligand","Med. Chem. Commun.","2016","7","6","1132","","10.1039/C6MD00098C","","x-ray","0.71073","MoKα","","0.0653","0.0529","","","0.13","0.1467","","","","","","1.0081","","","","has coordinates","301857","2025-08-21","22:47:32",""
"7118954","19.0394","0.0004","15.14","0.0004","17.3328","0.0005","90","","108.185","0.002","90","","4746.7","0.2","293","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H48 Cl2 Mn N8 O8 -","- C50 H48 Cl2 Mn N8 O8 -","- C200 H192 Cl8 Mn4 N32 O32 -","4","1","","Zou, Hua-Hong; Wei, Jun-Guang; Qin, Xiao-Huan; Mo, Shun-Gui; Qin, Qi-Pin; Liu, Yan-Cheng; Liang, Fu-Pei; Zhang, Yun-Liang; Chen, Zhen-Feng","Synthesis, crystal structure, cytotoxicity and action mechanism of Zn(ii) and Mn(ii) complexes with 4-([2,2′:6′,2′′-terpyridin]-4′-yl)-N,N-diethylaniline as a ligand","Med. Chem. Commun.","2016","7","6","1132","","10.1039/C6MD00098C","","x-ray","0.71073","MoKα","","0.0924","0.0672","","","0.1939","0.223","","","","","","1.0801","","","","has coordinates","301857","2025-08-21","22:47:32",""
"7118955","16.2461","0.0006","7.5152","0.0003","14.1846","0.0005","90","","97.938","0.003","90","","1715.24","0.11","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Au2 Cl6 N2 -","- C10 H8 Au2 Cl6 N2 -","- C40 H32 Au8 Cl24 N8 -","4","0.5","","Glišić, Biljana Đ.; Savić, Nada D.; Warżajtis, Beata; Djokic, Lidija; Ilic-Tomic, Tatjana; Antić, Marija; Radenković, Slavko; Nikodinovic-Runic, Jasmina; Rychlewska, Urszula; Djuran, Miloš I.","Synthesis, structural characterization and biological evaluation of dinuclear gold(iii) complexes with aromatic nitrogen-containing ligands: antimicrobial activity in relation to the complex nuclearity","Med. Chem. Commun.","2016","7","7","1356","","10.1039/C6MD00214E","","","0.71073","MoKα","","0.0221","0.0194","","","0.0478","0.0487","","","","","","1.197","","","","has coordinates","185561","2020-10-21","18:00:00",""
"7118956","10.7433","0.0007","12.853","0.0007","14.532","0.0005","97.587","0.004","90.559","0.004","100.953","0.005","1951.58","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 Cl2 N3 O V -","- C19 H19 Cl2 N3 O V -","- C76 H76 Cl8 N12 O4 V4 -","4","2","","Kumar, Arun; Dixit, Akanksha; Banerjee, Samya; Bhattacharyya, Arnab; Garai, Aditya; Karande, Anjali A.; Chakravarty, Akhil R.","Cellular imaging and mitochondria targeted photo-cytotoxicity in visible light by singlet oxygen using a BODIPY-appended oxovanadium(iv) DNA crosslinking agent","Med. Chem. Commun.","2016","7","7","1398","","10.1039/C6MD00071A","","","0.71073","MoKα","","0.1061","0.0603","","","0.1193","0.1488","","","","","","1.011","","","","has coordinates","185562","2020-10-21","18:00:00",""
"7119026","10.3102","0.0006","10.7772","0.0006","14.5496","0.0008","80.932","0.005","89.859","0.005","65.526","0.005","1449.48","0.16","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H18 Cl Co N8 O5 S Se2 -","- C24 H18 Cl Co N8 O5 S Se2 -","- C48 H36 Cl2 Co2 N16 O10 S2 Se4 -","2","1","","Filipović, Nenad R.; Bjelogrlić, Snežana; Portalone, Gustavo; Pelliccia, Sveva; Silvestri, Romano; Klisurić, Olivera; Senćanski, Milan; Stanković, Dalibor; Todorović, Tamara R.; Muller, Christian D.","Pro-apoptotic and pro-differentiation induction by 8-quinolinecarboxaldehyde selenosemicarbazone and its Co(iii) complex in human cancer cell lines","Med. Chem. Commun.","2016","7","8","1604","","10.1039/C6MD00199H","","","0.710689","MoKα","","0.0509","0.038","","","0.088","0.0944","","","","","","1.025","","","","has coordinates","186450","2020-10-21","18:00:00",""
"7119027","8.8291","0.0008","12.9308","0.0008","10.1657","0.0007","90","","97.384","0.008","90","","1150.97","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N4 Se -","- C11 H10 N4 Se -","- C44 H40 N16 Se4 -","4","1","","Filipović, Nenad R.; Bjelogrlić, Snežana; Portalone, Gustavo; Pelliccia, Sveva; Silvestri, Romano; Klisurić, Olivera; Senćanski, Milan; Stanković, Dalibor; Todorović, Tamara R.; Muller, Christian D.","Pro-apoptotic and pro-differentiation induction by 8-quinolinecarboxaldehyde selenosemicarbazone and its Co(iii) complex in human cancer cell lines","Med. Chem. Commun.","2016","7","8","1604","","10.1039/C6MD00199H","","","0.71073","MoKα","","0.0428","0.0313","","","0.0698","0.0745","","","","","","1.022","","","","has coordinates","301857","2025-08-21","22:47:32",""
"7119028","7.7617","0.0014","9.9794","0.0018","13.124","0.002","101.841","0.003","100.386","0.003","97.192","0.003","964.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H19 F6 N O4 -","- C19 H19 F6 N O4 -","- C38 H38 F12 N2 O8 -","2","1","","Li, Yu; Xia, Guiquan; Guo, Qi; Wu, Li; Chen, Shizhen; Yang, Zhigang; Wang, Wei; Zhang, Zhong-Yin; Zhou, Xin; Jiang, Zhong-Xing","Design, synthesis and evaluation of novel (19)F magnetic resonance sensitive protein tyrosine phosphatase inhibitors.","MedChemComm","2016","7","8","1672","1680","10.1039/C6MD00277C","","","0.71073","MoKα","","0.0735","0.0426","","","0.0878","0.1036","","","","","","0.988","","","","has coordinates","301857","2025-08-21","22:47:32",""
"7119029","22.12","0.003","11.7114","0.0016","16.324","0.002","90","","109.222","0.004","90","","3993.1","0.9","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H23 N3 O3 S -","- C21 H23 N3 O3 S -","- C168 H184 N24 O24 S8 -","8","1","","Man, Ruo-Jun; Tang, Dan-Jie; Lu, Xiao-Yuan; Duan, Yong-Tao; Tao, Xiang-Xiang; Yang, Meng-Ru; Wang, Le-Le; Wang, Bao-Zhong; Xu, Chen; Zhu, Hai-Liang","Synthesis and biological evaluation of novel indole derivatives containing sulfonamide scaffold as potential tubulin inhibitor","Med. Chem. Commun.","2016","7","9","1759","","10.1039/C6MD00255B","","","0.71073","MoKα","","0.0694","0.0463","","","0.1084","0.1215","","","","","","1.018","","","","has coordinates","301857","2025-08-21","22:47:32",""
"7119063","19.2951","0.0009","13.6381","0.0004","19.3808","0.0008","90","","119.209","0.005","90","","4451.5","0.4","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","5-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(tert-butyl)-N-(2-methylquinolin-8-yl)thiazol-2-amine","","- C25 H25 N3 O2 S -","- C25 H25 N3 O2 S -","- C200 H200 N24 O16 S8 -","8","1","","Wu, Z. L.; Fang, Y. L.; Tang, Y. T.; Xiao, M. W.; Ye, J.; Li, G. X.; Hu, A. X.","Synthesis and antitumor evaluation of 5-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(tert-butyl)-N-arylthiazol-2-amines","Med. Chem. Commun.","2016","7","9","1768","","10.1039/C6MD00234J","","","0.71073","MoKα","","0.0538","0.043","","","0.1074","0.1164","","","","","","1.046","","","","has coordinates,has disorder","301857","2025-08-21","22:47:33",""
"7119104","7.4733","0.0002","17.126","0.0006","9.9156","0.0003","90","","90","","90","","1269.08","0.07","296","2","296.15","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C11 H12 Cl N O2 Pt S -","- C11 H12 Cl N O2 Pt S -","- C44 H48 Cl4 N4 O8 Pt4 S4 -","4","1","","Meng, Ting; Tang, Shang-Feng; Qin, Qi-Pin; Liang, Yue-Lan; Wu, Chen-Xuan; Wang, Chen-Yu; Yan, Hou-Tian; Dong, Jia-Xin; Liu, Yan-Cheng","Evaluation of the effect of iodine substitution of 8-hydroxyquinoline on its platinum(ii)complex: cytotoxicity, cell apoptosis and telomerase inhibition","Med. Chem. Commun.","2016","7","9","1802","","10.1039/C6MD00201C","","x-ray","0.71073","MoKα","","0.0681","0.0606","","","0.1408","0.1534","","","","","","1.076","","","","has coordinates","187155","2020-10-21","18:00:00",""
"7119105","12.2175","0.0004","11.5867","0.0004","45.0661","0.0013","90","","90","","90","","6379.6","0.4","293","2","296.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C11 H10 Cl I2 N O2 Pt S -","- C11 H10 Cl I2 N O2 Pt S -","- C176 H160 Cl16 I32 N16 O32 Pt16 S16 -","16","2","","Meng, Ting; Tang, Shang-Feng; Qin, Qi-Pin; Liang, Yue-Lan; Wu, Chen-Xuan; Wang, Chen-Yu; Yan, Hou-Tian; Dong, Jia-Xin; Liu, Yan-Cheng","Evaluation of the effect of iodine substitution of 8-hydroxyquinoline on its platinum(ii)complex: cytotoxicity, cell apoptosis and telomerase inhibition","Med. Chem. Commun.","2016","7","9","1802","","10.1039/C6MD00201C","","x-ray","0.71073","MoKα","","0.0581","0.047","","","0.0934","0.0998","","","","","","1.061","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7119106","13.3396","0.001","8.2529","0.0007","15.4875","0.0013","90","","94.937","0.008","90","","1698.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 O S -","- C21 H16 O S -","- C84 H64 O4 S4 -","4","1","","Gill, Rupinder Kaur; Kaur, Ramandeep; Kumar, Virender; Gupta, Vivek; Singh, Gagandeep; Bariwal, Jitender","Design and microwave assisted synthesis of novel 2-phenyl/2-phenylethynyl-3-aroyl thiophenes as potent antiproliferative agents","Med. Chem. Commun.","2016","7","10","1966","","10.1039/C6MD00256K","","","0.71073","MoKα","","0.0971","0.0523","","","0.1212","0.1509","","","","","","0.985","","","","has coordinates","301857","2025-08-21","22:47:33",""
"7119107","13.987","0.002","16.528","0.003","20.406","0.004","90","","90.626","0.017","90","","4717.1","1.4","165","2","165","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-chlorophenyl)urea","","- C15 H19 Cl N4 O -","- C15 H19 Cl N4 O -","- C180 H228 Cl12 N48 O12 -","12","3","","Nasiri, Amir H.; Saxena, Krishna; Bats, Jan W.; Nasiri, Hamid R.; Schwalbe, Harald","Biophysical investigation and conformational analysis of p38α kinase inhibitor doramapimod and its analogues","Med. Chem. Commun.","2016","7","7","1421","","10.1039/C6MD00262E","","","0.71073","MoKα","","0.1184","0.0513","","","0.1054","0.1283","","","","","","1.019","","","","has coordinates","301857","2025-08-21","22:47:33",""
"7119108","13.2894","0.0015","16.911","0.003","9.2595","0.0012","90","","97.917","0.009","90","","2061.1","0.5","161","2","161","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-chlorophenyl)urea","","- C21 H25 Cl N4 O2 -","- C21 H25 Cl N4 O2 -","- C84 H100 Cl4 N16 O8 -","4","1","","Nasiri, Amir H.; Saxena, Krishna; Bats, Jan W.; Nasiri, Hamid R.; Schwalbe, Harald","Biophysical investigation and conformational analysis of p38α kinase inhibitor doramapimod and its analogues","Med. Chem. Commun.","2016","7","7","1421","","10.1039/C6MD00262E","","","0.71073","MoKα","","0.0703","0.042","","","0.0908","0.1027","","","","","","1.028","","","","has coordinates","301857","2025-08-21","22:47:33",""
"7119109","10.217","0.003","15.177","0.004","16.06","0.004","72.646","0.009","85.659","0.014","88.367","0.01","2370.1","1.1","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-chlorophenyl)urea","","- C22 H27 Cl N4 O2 S -","- C22 H27 Cl N4 O2 S -","- C88 H108 Cl4 N16 O8 S4 -","4","2","","Nasiri, Amir H.; Saxena, Krishna; Bats, Jan W.; Nasiri, Hamid R.; Schwalbe, Harald","Biophysical investigation and conformational analysis of p38α kinase inhibitor doramapimod and its analogues","Med. Chem. Commun.","2016","7","7","1421","","10.1039/C6MD00262E","","","0.71073","MoKα","","0.2539","0.0737","","","0.143","0.1855","","","","","","0.903","","","","has coordinates","301857","2025-08-21","22:47:33",""
"7119110","9.5365","0.0019","10.4435","0.0013","13.1768","0.0016","85.347","0.009","84.622","0.01","68.226","0.017","1211.8","0.4","164","2","164","2","","","","","","","","6","P -1","-P 1","2","","1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-chlorophenyl)urea","","- C23 H29 Cl N4 O2 S -","- C23 H29 Cl N4 O2 S -","- C46 H58 Cl2 N8 O4 S2 -","2","1","","Nasiri, Amir H.; Saxena, Krishna; Bats, Jan W.; Nasiri, Hamid R.; Schwalbe, Harald","Biophysical investigation and conformational analysis of p38α kinase inhibitor doramapimod and its analogues","Med. Chem. Commun.","2016","7","7","1421","","10.1039/C6MD00262E","","","0.71073","MoKα","","0.0531","0.0376","","","0.0947","0.102","","","","","","1.069","","","","has coordinates","301857","2025-08-21","22:47:33",""
"7119111","10.2698","0.0016","14.906","0.002","16.249","0.002","90","","96.954","0.009","90","","2469.1","0.6","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-chlorophenyl)urea","","- C23 H31 Cl N4 O3 -","- C23 H31 Cl N4 O3 -","- C92 H124 Cl4 N16 O12 -","4","1","","Nasiri, Amir H.; Saxena, Krishna; Bats, Jan W.; Nasiri, Hamid R.; Schwalbe, Harald","Biophysical investigation and conformational analysis of p38α kinase inhibitor doramapimod and its analogues","Med. Chem. Commun.","2016","7","7","1421","","10.1039/C6MD00262E","","","0.71073","MoKα","","0.081","0.0526","","","0.1138","0.1308","","","","","","1.09","","","","has coordinates","301857","2025-08-21","22:47:33",""
"7119112","17.753","0.003","16.394","0.004","9.6378","0.0011","90","","120.355","0.007","90","","2420.5","0.8","158","2","158","2","","","","","","","","6","C 1 c 1","C -2yc","9","","1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-chlorophenyl)urea","","- C23 H29 Cl N4 O2 S -","- C23 H29 Cl N4 O2 S -","- C92 H116 Cl4 N16 O8 S4 -","4","1","","Nasiri, Amir H.; Saxena, Krishna; Bats, Jan W.; Nasiri, Hamid R.; Schwalbe, Harald","Biophysical investigation and conformational analysis of p38α kinase inhibitor doramapimod and its analogues","Med. Chem. Commun.","2016","7","7","1421","","10.1039/C6MD00262E","","","0.71073","MoKα","","0.0761","0.0506","","","0.1046","0.1166","","","","","","1.101","","","","has coordinates","301857","2025-08-21","22:47:33",""
"7119113","5.4909","0.0003","15.4713","0.0009","26.0024","0.0015","90","","90","","90","","2208.9","0.2","176","2","176","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-chlorophenyl)urea","","- C21 H26 Cl2 N4 O2 -","- C21 H26 Cl2 N4 O2 -","- C84 H104 Cl8 N16 O8 -","4","1","","Nasiri, Amir H.; Saxena, Krishna; Bats, Jan W.; Nasiri, Hamid R.; Schwalbe, Harald","Biophysical investigation and conformational analysis of p38α kinase inhibitor doramapimod and its analogues","Med. Chem. Commun.","2016","7","7","1421","","10.1039/C6MD00262E","","","0.71073","MoKα","","0.0612","0.0467","","","0.0793","0.0832","","","","","","1.078","","","","has coordinates","301857","2025-08-21","22:47:33",""
"7119184","11.735","0.0005","9.4232","0.0005","18.5619","0.001","90","","102.544","0.002","90","","2003.6","0.17","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 O5 -","- C23 H28 O5 -","- C92 H112 O20 -","4","1","","Herdman, Christine A.; Strecker, Tracy E.; Tanpure, Rajendra P.; Chen, Zhi; Winters, Alex; Gerberich, Jeni; Liu, Li; Hamel, Ernest; Mason, Ralph P.; Chaplin, David J.; Trawick, Mary Lynn; Pinney, Kevin G.","Synthesis and biological evaluation of benzocyclooctene-based and indene-based anticancer agents that function as inhibitors of tubulin polymerization","Med. Chem. Commun.","2016","7","12","2418","","10.1039/C6MD00459H","","","0.71073","MoKα","","0.0879","0.0541","","","0.1131","0.1267","","","","","","1.025","","","","has coordinates","301857","2025-08-21","22:47:33",""
"7119185","16.641","0.0012","11.1239","0.0008","20.557","0.0013","90","","90","","90","","3805.4","0.5","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H26 O5 -","- C22 H26 O5 -","- C176 H208 O40 -","8","1","","Herdman, Christine A.; Strecker, Tracy E.; Tanpure, Rajendra P.; Chen, Zhi; Winters, Alex; Gerberich, Jeni; Liu, Li; Hamel, Ernest; Mason, Ralph P.; Chaplin, David J.; Trawick, Mary Lynn; Pinney, Kevin G.","Synthesis and biological evaluation of benzocyclooctene-based and indene-based anticancer agents that function as inhibitors of tubulin polymerization","Med. Chem. Commun.","2016","7","12","2418","","10.1039/C6MD00459H","","","0.71073","MoKα","","0.0476","0.0365","","","0.0902","0.0964","","","","","","1.029","","","","has coordinates","301857","2025-08-21","22:47:33",""
"7119186","14.181","0.002","12.844","0.0009","11.3534","0.0008","90","","105.364","0.008","90","","1994","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 Cl2 N3 O2 -","- C20 H27 Cl2 N3 O2 -","- C80 H108 Cl8 N12 O8 -","4","1","","Wenker, Yvonne; Soeberdt, Michael; Daniliuc, Constantin; Ständer, Sonja; Schepmann, Dirk; Wünsch, Bernhard","Synthesis and pharmacological evaluation of conformationally restricted κ-opioid receptor agonists","Med. Chem. Commun.","2016","7","12","2368","","10.1039/C6MD00441E","","","1.54178","CuKα","","0.0397","0.0368","","","0.0935","0.0959","","","","","","1.04","","","","has coordinates","301857","2025-08-21","22:47:33",""
"7150525","7.417","0.005","10.385","0.005","10.651","0.005","68.383","0.005","83.788","0.005","82.9","0.005","755.1","0.7","120","2","120","2","","","","","","","Riaz Bhunnoo","4","P -1","-P 1","2","","","","- C28 H54 O6 Si2 -","- C28 H54 O6 Si2 -","- C28 H54 O6 Si2 -","1","0.5","","Bhunnoo, Riaz A; Hobbs, Heather; Lainé, Dramane I; Light, Mark E; Brown, Richard C D","Synthesis of the non-adjacent bis-THF core of cis-sylvaticin using a double oxidative cyclisation.","Organic & biomolecular chemistry","2009","7","5","1017","1024","10.1039/b813201a","","","0.71069","MoKα","","0.0665","0.0455","","","0.0981","0.1072","","","","","","1.018","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150526","27.2736","0.001","16.3323","0.0009","24.0996","0.001","90","","116.999","0.006","90","","9565","0.9","90","2","90","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C108 H124 O12 P4 -","- C105 H108 O9 P4 -","- C420 H432 O36 P16 -","4","1","","Moll, Hani El; Sémeril, David; Matt, Dominique; Youinou, Marie-Thérèse; Toupet, Loïc","Synthesis of a resorcinarene-based tetraphosphine-cavitand and its use in Heck reactions","Organic & Biomolecular Chemistry","2009","7","3","495","501","10.1039/b813373e","","","0.71069","MoKα","","0.1643","0.0601","","","0.1457","0.1639","","","","","","0.752","","","","has coordinates,has disorder","180291","2020-10-21","18:00:00",""
"7150527","9.0302","0.0003","8.0096","0.0003","12.164","0.0004","90","","109.737","0.001","90","","828.12","0.05","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C36 H42 N2 O10 -","2","1","","Evans, Amanda C.; Longbottom, Deborah A.; Matsuoka, Masato; Davies, John E.; Turner, Richard; Franckevičius, Vilius; Ley, Steven V.","Highly diastereoselective desymmetrisation of cyclic meso-anhydrides and derivatisation for use in natural product synthesis","Organic & Biomolecular Chemistry","2009","7","4","747","760","10.1039/b813494d","","","0.71073","MoKα","","0.0453","0.0385","","","0.0866","0.0913","","","","","","1.091","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150528","7.6843","0.0002","10.9358","0.0003","10.2015","0.0003","90","","100.974","0.002","90","","841.6","0.04","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C36 H46 N2 O10 -","2","1","","Evans, Amanda C.; Longbottom, Deborah A.; Matsuoka, Masato; Davies, John E.; Turner, Richard; Franckevičius, Vilius; Ley, Steven V.","Highly diastereoselective desymmetrisation of cyclic meso-anhydrides and derivatisation for use in natural product synthesis","Organic & Biomolecular Chemistry","2009","7","4","747","760","10.1039/b813494d","","","0.71073","MoKα","","0.0596","0.042","","","0.1141","0.1424","","","","","","1.349","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150529","6.5353","0.0001","9.8759","0.0001","30.2519","0.0005","90","","90","","90","","1952.52","0.05","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O6 S -","- C20 H27 N O6 S -","- C80 H108 N4 O24 S4 -","4","1","","Evans, Amanda C.; Longbottom, Deborah A.; Matsuoka, Masato; Davies, John E.; Turner, Richard; Franckevičius, Vilius; Ley, Steven V.","Highly diastereoselective desymmetrisation of cyclic meso-anhydrides and derivatisation for use in natural product synthesis","Organic & Biomolecular Chemistry","2009","7","4","747","760","10.1039/b813494d","","","0.71073","MoKα","","0.0297","0.0282","","","0.07","0.0713","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150530","5.797","0.002","12.152","0.004","20.075","0.006","90","","90","","90","","1414.2","0.8","193.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H22 O3 -","- C14 H22 O3 -","- C56 H88 O12 -","4","1","","Zhang, Xue-jing; Yan, Ming; Huang, Dan","Catalyzed addition of diazoacetoacetates to imines: synthesis of highly functionalized aziridines","Organic & Biomolecular Chemistry","2009","7","1","187","192","10.1039/b813763c","","","0.7107","MoKα","","","0.089","","","","0.21","","","","","","1.154","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150531","6.074","0.001","11.401","0.001","12.309","0.002","93.98","0.01","93.6","0.01","90.25","0.02","848.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N2 O2 -","- C22 H18 N2 O2 -","- C44 H36 N4 O4 -","2","1","","Garcia-Garibay, Miguel A; Dang, Hung","Photochemical generation, intramolecular reactions, and spectroscopic detection of oxonium ylide and carbene intermediates in a crystalline ortho-(1,3-dioxolan-2-yl)-diaryldiazomethane.","Organic & biomolecular chemistry","2009","7","6","1106","1114","10.1039/b814387k","","","0.71073","MoKα","","0.0483","0.0398","","","0.1135","0.1185","","","","","","1.087","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150532","8.868","0.003","7.529","0.003","23.243","0.008","90","","97.091","0.006","90","","1540","1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Garcia-Garibay, Miguel A; Dang, Hung","Photochemical generation, intramolecular reactions, and spectroscopic detection of oxonium ylide and carbene intermediates in a crystalline ortho-(1,3-dioxolan-2-yl)-diaryldiazomethane.","Organic & biomolecular chemistry","2009","7","6","1106","1114","10.1039/b814387k","","","0.71073","MoKα","","0.2099","0.0641","","","0.135","0.1969","","","","","","0.952","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150533","13.352","0.0002","6.54","0.0001","32.4439","0.0005","90","","99.008","0.001","90","","2798.13","0.07","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","19β,28-epoxy-18α-olean-3β-yl acetate","","- C32 H52 O3 -","- C32 H52 O3 -","- C128 H208 O12 -","4","1","","Salvador, Jorge A. R.; Pinto, Rui M. A.; Santos, Rita C.; Le Roux, Christophe; Beja, Ana Matos; Paixão, José A.","Bismuth triflate-catalyzed Wagner-Meerwein rearrangement in terpenes. Application to the synthesis of the 18α-oleanane core and A-neo-18α-oleanene compounds from lupanes","Organic & Biomolecular Chemistry","2009","7","3","508","517","10.1039/b814448f","","","0.71073","MoKα","","0.0408","0.0355","","","0.0951","0.0994","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150534","13.2214","0.0004","6.4962","0.0002","29.842","0.0009","90","","93.615","0.002","90","","2558","0.13","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","A-neo-18α-olean-3(5)-en-28,19β-olide","","- C30 H46 O2 -","- C30 H46 O2 -","- C120 H184 O8 -","4","1","","Salvador, Jorge A. R.; Pinto, Rui M. A.; Santos, Rita C.; Le Roux, Christophe; Beja, Ana Matos; Paixão, José A.","Bismuth triflate-catalyzed Wagner-Meerwein rearrangement in terpenes. Application to the synthesis of the 18α-oleanane core and A-neo-18α-oleanene compounds from lupanes","Organic & Biomolecular Chemistry","2009","7","3","508","517","10.1039/b814448f","","","0.71073","MoKα","","0.0971","0.0462","","","0.0958","0.1158","","","","","","0.994","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150535","18.0006","0.0006","10.8282","0.0003","25.595","0.0009","90","","98.184","0.002","90","","4938","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 N5 O4 P S -","- C12 H20 N5 O4 P S -","- C144 H240 N60 O48 P12 S12 -","12","3","","Breen, David; Kennedy, Alan R.; Suckling, Colin J.","A divergent synthesis of minor groove binders with tail group variation","Organic & Biomolecular Chemistry","2009","7","1","178","186","10.1039/b814452d","","","0.71073","MoKα","","0.1381","0.0904","","","0.173","0.2004","","","","","","1.085","","","","has coordinates,has disorder","180291","2020-10-21","18:00:00",""
"7150536","11.422","0.000001","8.778999","0.000001","15.357","0.000001","90","","107.527","0.000003","90","","1468.41","0.0002","120","","120","","","","","","","","?","5","P 1 21 1","P 2yb","4","","","","- C34 H35 Fe N O6 -","- C34 H35 Fe N O6 -","- C68 H70 Fe2 N2 O12 -","2","1","","Alonso, Francisco; Davies, Stephen G.; Elend, Almut S.; Leech, Michael A.; Roberts, Paul M.; Smith, Andrew D.; Thomson, James E.","Stereoselective functionalisation of cis- and trans-2-ferrocenyl-3-pivaloyl-4-alkyl-1,3-oxazolidin-5-ones: asymmetric synthesis of (R)- and (S)-2-alkyl-2-aminopent-4-enoic acids and (2R,3S)-2-amino-2-methyl-3-hydroxy-3-phenylpropanoic acid","Organic & Biomolecular Chemistry","2009","7","3","527","536","10.1039/b814453b","","","0.71073","MoKα","","0.0394","0.0373","","0.0374","0.0372","0.0372","","","","","","1.1712","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150537","9.462","0.001","10.432","0.001","11.673","0.001","73.144","0.003","85.38","0.003","65.358","0.003","1001.21","0.17","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H29 Fe N O3 -","- C23 H29 Fe N O3 -","- C46 H58 Fe2 N2 O6 -","2","1","","Alonso, Francisco; Davies, Stephen G.; Elend, Almut S.; Leech, Michael A.; Roberts, Paul M.; Smith, Andrew D.; Thomson, James E.","Stereoselective functionalisation of cis- and trans-2-ferrocenyl-3-pivaloyl-4-alkyl-1,3-oxazolidin-5-ones: asymmetric synthesis of (R)- and (S)-2-alkyl-2-aminopent-4-enoic acids and (2R,3S)-2-amino-2-methyl-3-hydroxy-3-phenylpropanoic acid","Organic & Biomolecular Chemistry","2009","7","3","527","536","10.1039/b814453b","","","0.71073","MoKα","","0.086","0.0488","","0.0513","0.0463","0.0463","","","","","","1.1009","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150538","4.7172","0.0006","14.805","0.002","19.787","0.003","90","","93.81","0.004","90","","1378.8","0.3","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 O8 -","- C34 H28 O8 -","- C68 H56 O16 -","2","0.5","","Vautravers, Nicolas R.; André, Pascal; Slawin, A. M. Z.; Cole-Hamilton, David J.","Synthesis and characterization of photoluminescent vinylbiphenyl decorated polyhedral oligomeric silsesquioxanes","Organic & Biomolecular Chemistry","2009","7","4","717","724","10.1039/b814496f","","","0.71073","MoKα","","0.0499","0.0432","","","0.1124","0.1201","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150539","8.851","0.0002","9.8816","0.0003","18.2164","0.0007","92.1632","0.0014","96.4141","0.0015","116.416","0.002","1411.1","0.08","120","2","120","2","","","","","","","","4","P -1","-P 1","2","E-2-(2-(Dimethylamino)biphen-2-yl)-1-nitroethene","E-2-(2-(Dimethylamino)biphen-2-yl)-1-nitroethene","","- C16 H16 N2 O2 -","- C16 H16 N2 O2 -","- C64 H64 N8 O8 -","4","2","","O'Leary, Jane; Wallis, John D.","Interactions and reactions in some 2,2′-disubstituted biphenyls—an open or shut case","Organic & Biomolecular Chemistry","2009","7","2","225","228","10.1039/b814615b","","","0.71073","MoKα","","0.1387","0.0787","","","0.2126","0.2342","","","","","","1.032","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150540","8.2446","0.0002","17.2928","0.0004","11.6833","0.0002","90","","107.177","0.0017","90","","1591.42","0.06","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Methyl E-2-cyano-3-(2-(Dimethylamino)biphen-2-yl)propenoate","Methyl E-2-cyano-3-(2-(Dimethylamino)biphen-2-yl)propenoate","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","","O'Leary, Jane; Wallis, John D.","Interactions and reactions in some 2,2′-disubstituted biphenyls—an open or shut case","Organic & Biomolecular Chemistry","2009","7","2","225","228","10.1039/b814615b","","","0.71073","MoKα","","0.0603","0.0434","","","0.107","0.1142","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150541","11.4599","0.0004","8.2053","0.0003","14.7752","0.0007","90","","92.142","0.001","90","","1388.37","0.1","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","5-(1,2-Dihydro-1,1-dimethylbenzo(c)quinolinium-2-yl) - dicyanomethide","5-(1,2-Dihydro-1,1-dimethylbenzo(c)quinolinium-2-yl) -dicyanomethide","","- C18 H15 N3 -","- C18 H15 N3 -","- C72 H60 N12 -","4","2","","O'Leary, Jane; Wallis, John D.","Interactions and reactions in some 2,2′-disubstituted biphenyls—an open or shut case","Organic & Biomolecular Chemistry","2009","7","2","225","228","10.1039/b814615b","","","0.71073","MoKα","","0.0615","0.0465","","","0.1059","0.112","","","","","","0.989","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150542","9.3343","0.0002","10.2514","0.0002","11.3449","0.0002","114.442","0.0008","91.7559","0.0008","105.049","0.0008","942.56","0.03","120","2","120","2","","","","","","","","4","P -1","-P 1","2","2-(1',2'-Dihydo-1',1'-dimethylbenzo(c)-quinolinium-2'-yl)-5,5- dimethyl-1,3-dioxocyclohexan-2-ide","2-(1',2'-Dihydo-1',1'-dimethylbenzo(c)-quinolinium-2'-yl)- 5,5-dimethyl-1,3-dioxocyclohexan-2-ide","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C46 H54 N2 O6 -","2","1","","O'Leary, Jane; Wallis, John D.","Interactions and reactions in some 2,2′-disubstituted biphenyls—an open or shut case","Organic & Biomolecular Chemistry","2009","7","2","225","228","10.1039/b814615b","","","0.71073","MoKα","","0.059","0.0421","","","0.1036","0.1107","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150543","8.3982","0.0015","8.7381","0.0016","17.245","0.003","83.601","0.005","87.923","0.004","62.354","0.004","1113.9","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 N2 S3 -","- C28 H18 N2 S3 -","- C56 H36 N4 S6 -","2","1","","Franz, Adam W.; Popa, Larisa N.; Rominger, Frank; Müller, Thomas J. J.","First synthesis and electronic properties of diphenothiazine dumbbells bridged by heterocycles","Organic & Biomolecular Chemistry","2009","7","3","469","475","10.1039/b814850c","","","0.71073","MoKα","","0.1005","0.0706","","","0.1377","0.1497","","","","","","1.133","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150544","5.5615","0.0017","27.699","0.008","10.094","0.003","90","","105.644","0.006","90","","1497.4","0.8","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 O5 S -","- C15 H20 O5 S -","- C60 H80 O20 S4 -","4","2","","Sheldrake, Helen M.; Jamieson, Craig; Pascu, Sofia I.; Burton, Jonathan W.","Synthesis of the originally proposed structures of elatenyne and an enyne from Laurencia majuscula","Organic & Biomolecular Chemistry","2009","7","2","238","252","10.1039/b814953d","","","0.71073","MoKα","","0.0772","0.0464","","0.0728","0.0493","0.0493","","","","","","1.1154","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150545","5.5615","0.0017","27.699","0.008","10.094","0.003","90","","105.644","0.006","90","","1497.4","0.8","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H20 O5 S -","- C15 H20 O5 S -","- C60 H80 O20 S4 -","4","2","","Sheldrake, Helen M.; Jamieson, Craig; Pascu, Sofia I.; Burton, Jonathan W.","Synthesis of the originally proposed structures of elatenyne and an enyne from Laurencia majuscula","Organic & Biomolecular Chemistry","2009","7","2","238","252","10.1039/b814953d","","","0.6898","synchrotron","","0.0763","0.0528","","0.1238","0.1102","0.1238","","","","","","1.0051","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150546","6.8047","0.0002","11.9451","0.0007","12.7864","0.0009","111.921","0.006","94.992","0.005","92.605","0.004","957.09","0.1","208","2","208","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 N O4 S -","- C22 H19 N O4 S -","- C44 H38 N2 O8 S2 -","2","1","","Kaiser, Jasper; van Esseveldt, Bart C. J.; Segers, Margot J. A.; van Delft, Floris L.; Smits, Jan M. M.; Butterworth, Sam; Rutjes, Floris P. J. T.","Synthesis and aromatisation of cyclic enediyne-containing amino acids","Organic & Biomolecular Chemistry","2009","7","4","695","705","10.1039/b815176h","","","0.71073","MoKα","","0.0494","0.0373","","0.0995","0.0935","0.0995","","","1.038","","","1.038","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150547","8.6566","0.0007","12.0779","0.0008","35.5","0.003","90","","90","","90","","3711.7","0.5","208","2","208","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H21 N O4 S -","- C20 H21 N O4 S -","- C160 H168 N8 O32 S8 -","8","1","","Kaiser, Jasper; van Esseveldt, Bart C. J.; Segers, Margot J. A.; van Delft, Floris L.; Smits, Jan M. M.; Butterworth, Sam; Rutjes, Floris P. J. T.","Synthesis and aromatisation of cyclic enediyne-containing amino acids","Organic & Biomolecular Chemistry","2009","7","4","695","705","10.1039/b815176h","","","0.71073","MoKα","","0.1146","0.0763","","0.1452","0.1329","0.1452","","","1.224","","","1.224","","","","has coordinates,has disorder","301861","2025-08-22","11:11:47",""
"7150548","8.4021","0.0005","11.957","0.0009","12.0405","0.0008","69.128","0.006","70.351","0.005","84.942","0.005","1063.75","0.14","208","2","208","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 N O4 S -","- C24 H23 N O4 S -","- C48 H46 N2 O8 S2 -","2","1","","Kaiser, Jasper; van Esseveldt, Bart C. J.; Segers, Margot J. A.; van Delft, Floris L.; Smits, Jan M. M.; Butterworth, Sam; Rutjes, Floris P. J. T.","Synthesis and aromatisation of cyclic enediyne-containing amino acids","Organic & Biomolecular Chemistry","2009","7","4","695","705","10.1039/b815176h","","","0.71073","MoKα","","0.0486","0.0364","","0.0967","0.0888","0.0967","","","1.083","","","1.083","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150549","8.1942","0.0012","9.732","0.0007","13.0079","0.0013","90","","104.996","0.009","90","","1002","0.2","208","2","208","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H21 N O4 S -","- C23 H21 N O4 S -","- C46 H42 N2 O8 S2 -","2","1","","Kaiser, Jasper; van Esseveldt, Bart C. J.; Segers, Margot J. A.; van Delft, Floris L.; Smits, Jan M. M.; Butterworth, Sam; Rutjes, Floris P. J. T.","Synthesis and aromatisation of cyclic enediyne-containing amino acids","Organic & Biomolecular Chemistry","2009","7","4","695","705","10.1039/b815176h","","","0.71073","MoKα","","0.0867","0.0523","","0.0833","0.0752","0.0833","","","1.08","","","1.08","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150550","8.3607","0.0011","9.2365","0.0013","10.0371","0.0014","65.628","0.002","77.548","0.002","75.07","0.002","676.91","0.16","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 N O3 -","- C16 H21 N O3 -","- C32 H42 N2 O6 -","2","1","","King, Frank D.; Aliev, Abil E.; Caddick, Stephen; Tocher, Derek A.; Courtier-Murias, Denis","A facile synthesis of pyrrolo-(di)-benzazocinones via an intramolecular N-acyliminium ion cyclisation","Organic & Biomolecular Chemistry","2009","7","1","167","177","10.1039/b815195d","","","0.71073","MoKα","","0.052","0.0494","","","0.1463","0.1496","","","","","","0.986","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150551","7.6569","0.0008","9.6582","0.0011","20.404","0.002","90","","90.423","0.002","90","","1508.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","1","","King, Frank D.; Aliev, Abil E.; Caddick, Stephen; Tocher, Derek A.; Courtier-Murias, Denis","A facile synthesis of pyrrolo-(di)-benzazocinones via an intramolecular N-acyliminium ion cyclisation","Organic & Biomolecular Chemistry","2009","7","1","167","177","10.1039/b815195d","","","0.71073","MoKα","","0.0473","0.044","","","0.1201","0.1231","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150552","9.3106","0.0008","10.415","0.0009","16.0747","0.0014","75.949","0.001","88.805","0.001","63.586","0.001","1347.4","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O -","- C18 H17 N O -","- C72 H68 N4 O4 -","4","2","","King, Frank D.; Aliev, Abil E.; Caddick, Stephen; Tocher, Derek A.; Courtier-Murias, Denis","A facile synthesis of pyrrolo-(di)-benzazocinones via an intramolecular N-acyliminium ion cyclisation","Organic & Biomolecular Chemistry","2009","7","1","167","177","10.1039/b815195d","","","0.71073","MoKα","","0.0583","0.052","","","0.1554","0.1641","","","","","","1.079","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150553","4.5625","0.0006","10.2315","0.0019","11.4327","0.0017","107.479","0.005","100.889","0.008","101.507","0.005","480.82","0.13","113.2","","113.2","","","","","","","","","4","P -1","-P 1","2","9b","","","- C9 H10 N4 O2 -","- C9 H10 N4 O2 -","- C18 H20 N8 O4 -","2","1","","Nakaike, Yumi; Hayashi, Daisuke; Nishiwaki, Nagatoshi; Tobe, Yoshito; Ariga, Masahiro","Formylnitroenamines: useful building blocks for nitrated pyridones and aminopyridines with functional groups","Organic & Biomolecular Chemistry","2009","7","2","325","334","10.1039/b815306j","","","0.71075","MoKα","","0.0416","0.0356","","","0.1054","0.1097","","","","","","1.098","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150554","8.4625","0.0016","8.0276","0.0016","21.142","0.004","90","","90.378","0.005","90","","1436.2","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H9 F O2 -","- C7 H9 F O2 -","- C56 H72 F8 O16 -","8","1","","Caravano, Audrey; Field, Robert A; Percy, Jonathan M; Rinaudo, Giuseppe; Roig, Ricard; Singh, Kuldip","Developing an asymmetric, stereodivergent route to selected 6-deoxy-6-fluoro-hexoses.","Organic & biomolecular chemistry","2009","7","5","996","1008","10.1039/b815342f","","","0.71073","MoKα","","0.0535","0.0455","","","0.1063","0.1101","","","","","","1.151","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150555","8.995","0.002","10.147","0.002","11.016","0.003","107.1","0.004","95.726","0.004","110.042","0.003","880","0.4","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","3-Iodo-6-methoxy-4-(p-methoxyphenyl)-2-trifluoromethyl)quinoline","","- C18 H13 F3 I N O2 -","- C18 H13 F3 I N O2 -","- C36 H26 F6 I2 N2 O4 -","2","1","","Likhar, Pravin R.; Subhas, Madavu Salian; Roy, Sarabindu; Kantam, Mannepalli Lakshmi; Sridhar, Balasubramanian; Seth, Ratanesh Kumar; Biswas, Sukla","Synthesis of highly substituted 2-perfluoroalkyl quinolines by electrophilic iodocyclization of perfluoroalkyl propargyl imines/amines","Organic & Biomolecular Chemistry","2009","7","1","85","93","10.1039/b815398a","","x-ray","0.71073","MoKα","","0.0275","0.0246","","","0.0652","0.0672","","","","","","1.067","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150556","5.5479","0.0006","18.474","0.0019","14.5807","0.0015","90","","99.871","0.002","90","","1472.3","0.3","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-Iodo-4-phenyl-2-trifluoromethyl-1-aza-spiro[4.5]deca-1,3,6,9-tetraen-8-one","","- C16 H9 F3 I N O -","- C16 H9 F3 I N O -","- C64 H36 F12 I4 N4 O4 -","4","1","","Likhar, Pravin R.; Subhas, Madavu Salian; Roy, Sarabindu; Kantam, Mannepalli Lakshmi; Sridhar, Balasubramanian; Seth, Ratanesh Kumar; Biswas, Sukla","Synthesis of highly substituted 2-perfluoroalkyl quinolines by electrophilic iodocyclization of perfluoroalkyl propargyl imines/amines","Organic & Biomolecular Chemistry","2009","7","1","85","93","10.1039/b815398a","","x-ray","0.71073","MoKα","","0.0223","0.0218","","","0.0549","0.0552","","","","","","1.167","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150557","26.471","0.003","12.5614","0.0007","16.7632","0.0014","90","","128.674","0.009","90","","4351.7","0.9","220","2","220","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H53 Cl7 N2 O4 -","- C37 H53 Cl7 N2 O4 -","- C148 H212 Cl28 N8 O16 -","4","0.5","","Winkelmann, Ole; Näther, Christian; Lüning, Ulrich","Organocatalysis by bimacrocyclic NHCs: unexpected formation of a cyclic hemiacetal instead of a γ-butyrolactone","Organic & Biomolecular Chemistry","2009","7","3","553","556","10.1039/b815828b","","","0.71073","MoKα","","0.1122","0.0628","","","0.1606","0.187","","","","","","1.016","","","","has coordinates,has disorder","301861","2025-08-22","11:11:47",""
"7150558","14.422","0.0012","25.714","0.003","7.9543","0.001","90","","90","","90","","2949.8","0.6","298","2","298","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C17 H17 N O S -","- C17 H17 N O S -","- C136 H136 N8 O8 S8 -","8","1","","Tu, Shu-Jiang; Cao, Xu-Dong; Hao, Wen-Juan; Zhang, Xiao-Hong; Yan, Shu; Wu, Shan-Shan; Han, Zheng-Guo; Shi, Feng","An efficient and chemoselective synthesis of benzo[e][1,4]thiazepin-2(1H,3H,5H)-ones via a microwave-assisted multi-component reaction in water","Organic & Biomolecular Chemistry","2009","7","3","557","563","10.1039/b815879g","","","0.71073","MoKα","","0.1096","0.0578","","","0.1029","0.1286","","","","","","1.073","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150559","8.6191","0.0003","9.4722","0.0004","10.8125","0.0005","87.925","0.002","80.702","0.002","70.015","0.002","818.52","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 N2 O3 S2 -","- C38 H42 N2 O3 S2 -","- C38 H42 N2 O3 S2 -","1","0.5","","Gu, Rong; Van Snick, Sven; Robeyns, Koen; Van Meervelt, Luc; Dehaen, Wim","A facile and general method for the synthesis of 6,12-diaryl-5,11-dihydroindolo[3,2-b]carbazoles","Organic & Biomolecular Chemistry","2009","7","2","380","385","10.1039/b815908d","","","1.54178","CuKα","","0.052","0.0485","","","0.1317","0.1356","","","","","","1.092","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150560","13.9005","0.0015","14.0323","0.0011","26.137","0.002","75.665","0.004","81.887","0.004","74.949","0.005","4753.9","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Bis(m-phenylene)-32-crown-10-Based Cryptand/Paraquat (2)Catenane","Bis(m-phenylene)-32-crown-10-Based Cryptand/Paraquat [2]Catenane","","- C82 H102.925 F24 I0.075 N9 O16 P4 -","- C82 H102.92 F24 I0.08 N9 O16 P4 -","- C164 H205.84 F48 I0.16 N18 O32 P8 -","2","1","","Liu, Ming; Li, Shijun; Zhang, Mingming; Zhou, Qizhong; Wang, Feng; Hu, Menglong; Fronczek, Frank R.; Li, Ning; Huang, Feihe","Three-dimensional bis(m-phenylene)-32-crown-10-based cryptand/paraquat catenanes","Organic & Biomolecular Chemistry","2009","7","7","1288","1291","10.1039/B815929G","","","0.71073","MoKα","","0.1168","0.0927","","","0.25","0.27","","","","","","1.035","","","","has coordinates,has disorder","180291","2020-10-21","18:00:00",""
"7150561","20.196","0.004","14.757","0.003","28.726","0.006","90","","92.64","0.03","90","","8552","3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis(m-phenylene)-32-crown-10-Based Cryptand/Paraquat (3)Catenane","Bis(m-phenylene)-32-crown-10-Based Cryptand/Paraquat [3]Catenane","","- C70 H99 F12 N7 O20 P2 -","- C70 H91 F12 N7 O16 P2 -","- C280 H364 F48 N28 O64 P8 -","4","1","","Liu, Ming; Li, Shijun; Zhang, Mingming; Zhou, Qizhong; Wang, Feng; Hu, Menglong; Fronczek, Frank R.; Li, Ning; Huang, Feihe","Three-dimensional bis(m-phenylene)-32-crown-10-based cryptand/paraquat catenanes","Organic & Biomolecular Chemistry","2009","7","7","1288","1291","10.1039/B815929G","","","0.71073","MoKα","","0.074","0.0537","","","0.1413","0.1528","","","","","","1.047","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150562","10.2117","0.0011","13.3903","0.0014","17.8587","0.0019","90","","104.642","0.002","90","","2362.7","0.4","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H35 N O3 S -","- C25 H35 N O3 S -","- C100 H140 N4 O12 S4 -","4","1","","Huang, Jianhui; Moore, Stephen P.; O'Brien, Peter; Whitwood, Adrian C.; Gilday, John","Lithiation-electrophilic trapping of N-sulfonyl-activated ethylene aziridines","Organic & Biomolecular Chemistry","2009","7","2","335","345","10.1039/b815957b","","","0.71073","MoKα","","0.0496","0.0408","","","0.0993","0.1039","","","","","","1.05","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150563","9.7183","0.0005","19.6987","0.0009","15.3953","0.0007","90","","95.697","0.001","90","","2932.7","0.2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H40 N2 O6 S -","- C29 H40 N2 O6 S -","- C116 H160 N8 O24 S4 -","4","1","","Huang, Jianhui; Moore, Stephen P.; O'Brien, Peter; Whitwood, Adrian C.; Gilday, John","Lithiation-electrophilic trapping of N-sulfonyl-activated ethylene aziridines","Organic & Biomolecular Chemistry","2009","7","2","335","345","10.1039/b815957b","","","0.71073","MoKα","","0.0541","0.042","","","0.1034","0.1099","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150564","9.0438","0.0004","14.174","0.0007","19.0124","0.0011","90","","90","","90","","2437.1","0.2","296.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 N2 O2 -","- C26 H24 N2 O2 -","- C104 H96 N8 O8 -","4","1","","Libendi, Samuel Shikuku; Demizu, Yosuke; Onomura, Osamu","Direct electrochemical α-cyanation of N-protected cyclic amines","Organic & Biomolecular Chemistry","2009","7","2","351","356","10.1039/b816598j","","","0.7107","MoKα","","","0.0731","","","","0.1818","","","","","","0.975","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150565","6.655","0.001","21.318","0.0011","17.247","0.002","90","","91.568","0.011","90","","2445.9","0.5","198","2","198","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C27 H44 O2 -","- C27 H44 O2 -","- C108 H176 O8 -","4","2","","Martin, René; Schmidt, Arndt W.; Theumer, Gabriele; Krause, Tilo; Entchev, Eugeni V.; Kurzchalia, Teymuras V.; Knölker, Hans-Joachim","Synthesis and biological activity of the (25R)-cholesten-26-oic acids—ligands for the hormonal receptor DAF-12 in Caenorhabditis elegans","Organic & Biomolecular Chemistry","2009","7","5","909","920","10.1039/b817358c","","","0.71073","MoKα","","0.0725","0.049","","","0.1236","0.1401","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150566","32.7713","0.0006","8.3741","0.0002","18.3244","0.0003","90","","104.915","0.001","90","","4859.34","0.17","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H29 O2 P S Si -","- C25 H29 O2 P S Si -","- C200 H232 O16 P8 S8 Si8 -","8","1","","Clarke, Celia; Fox, David J.; Pedersen, Daniel Sejer; Warren, Stuart","The lithiation and acyl transfer reactions of phosphine oxides, sulfides and boranes in the synthesis of cyclopropanes","Organic & Biomolecular Chemistry","2009","7","7","1329","1336","10.1039/b817436a","","","0.71073","MoKα","","0.0481","0.0368","","","0.0892","0.0958","","","","","","1.017","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150567","12.819","0.004","8.441","0.003","13.31","0.004","90","","95.462","0.005","90","","1433.7","0.8","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 N4 -","- C16 H20 N4 -","- C64 H80 N16 -","4","1","","Jiang, Bo; Hao, Wen-Juan; Zhang, Jin-Peng; Tu, Shu-Jiang; Shi, Feng","New domino reaction for the selective synthesis of tetracyclic cinnolino[5,4,3-cde]cinnolines","Organic & Biomolecular Chemistry","2009","7","6","1171","1175","10.1039/b817930a","","","0.71073","MoKα","","0.1079","0.0521","","","0.1342","0.1785","","","","","","1.044","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150568","9.698","0.005","5.875","0.003","10.023","0.005","90","","117.314","0.006","90","","507.4","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,2,3,6,7,8-hexahydro-cinnolino[5,4,3-cde]cinnoline","","- C12 H12 N4 -","- C12 H12 N4 -","- C24 H24 N8 -","2","0.5","","Jiang, Bo; Hao, Wen-Juan; Zhang, Jin-Peng; Tu, Shu-Jiang; Shi, Feng","New domino reaction for the selective synthesis of tetracyclic cinnolino[5,4,3-cde]cinnolines","Organic & Biomolecular Chemistry","2009","7","6","1171","1175","10.1039/b817930a","","","0.71073","MoKα","","0.0712","0.041","","","0.1007","0.1231","","","","","","1.013","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150569","15.5665","0.0004","23.5385","0.0005","33.1929","0.0009","90","","90","","90","","12162.3","0.5","100.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C45 H91.249 O43.6245 -","- C45 H49 O43.6245 -","- C360 H392 O348.996 -","8","2","","Osaki, Motofumi; Takashima, Yoshinori; Yamaguchi, Hiroyasu; Harada, Akira","Switching of polymerization activity of cinnamoyl-α-cyclodextrin","Organic & Biomolecular Chemistry","2009","7","8","1646","1651","10.1039/b818241h","","","1.54187","CuKα","","","0.0698","","","","0.2154","","","","","","1.134","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150570","11.5712","0.0002","13.9737","0.0002","17.038","0.0002","90","","90","","90","","2754.92","0.07","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 N O4 -","- C29 H39 N O4 -","- C116 H156 N4 O16 -","4","1","","Davies, Stephen G.; Durbin, Matthew J.; Goddard, Euan C.; Kelly, Peter M.; Kurosawa, Wataru; Lee, James A.; Nicholson, Rebecca L.; Price, Paul D.; Roberts, Paul M.; Russell, Angela J.; Scott, Philip M.; Smith, Andrew D.","Doubly diastereoselective conjugate addition of homochiral lithium amides to homochiral α,β-unsaturated esters containing cis- and trans-dioxolane units","Organic & Biomolecular Chemistry","2009","7","4","761","776","10.1039/B818298a","","","0.71073","MoKα","","0.0408","0.0321","","0.0465","0.0396","0.0396","","","","","","1.0881","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150571","7.1471","0.0003","10.1809","0.0004","12.3149","0.0005","81.282","0.003","77.534","0.002","81.436","0.003","858.56","0.06","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C16.8 H19.2 N4 O4.8 -","- C16.8 H19.2 N4 O4.8 -","- C33.6 H38.4 N8 O9.6 -","2","1","","Gibson, Colin L.; Huggan, Judith K.; Kennedy, Alan; Kiefer, Lionel; Lee, Jeong Hwan; Suckling, Colin J.; Clements, Carol; Harvey, Alan L.; Hunter, William N.; Tulloch, Lindsay B.","Diversity oriented syntheses of fused pyrimidines designed as potential antifolates","Organic & Biomolecular Chemistry","2009","7","9","1829","1842","10.1039/b818339b","","","0.71073","MoKα","","0.0875","0.0528","","","0.1268","0.1447","","","","","","1.036","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150572","22.8916","0.0012","22.8916","0.0012","5.224","0.004","90","","90","","90","","2738","2","208","2","208","2","","","","","","","","4","P 42/n :2","-P 4bc","86","AD11","","","- C14 H18 N2 O4 -","- C14 H18 N2 O4 -","- C112 H144 N16 O32 -","8","1","","Díaz-Rodríguez, Alba; Sanghvi, Yogesh S.; Fernández, Susana; Schinazi, Raymond F.; Theodorakis, Emmanuel A.; Ferrero, Miguel; Gotor, Vicente","Synthesis and anti-HIV activity of conformationally restricted bicyclic hexahydroisobenzofuran nucleoside analogs","Organic & Biomolecular Chemistry","2009","7","7","1415","1423","10.1039/b818707j","","","0.71073","MoKα","","0.0739","0.0675","","","0.12","0.1223","","","","","","1.346","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150573","6.5457","0.0009","12.2932","0.0015","30.973","0.004","90","","90","","90","","2492.3","0.6","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 O4 -","- C15 H16 O4 -","- C120 H128 O32 -","8","2","","Li, Yi; Nawrat, Christopher C.; Pattenden, Gerald; Winne, Johan M.","A concise total synthesis of (±)-anthecularin","Organic & Biomolecular Chemistry","2009","7","4","639","640","10.1039/b819454h","","","0.71073","MoKα","","0.091","0.0809","","","0.1401","0.1433","","","","","","1.293","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150574","5.8108","0.0008","10.4031","0.0015","10.8646","0.0015","68.858","0.003","87.535","0.003","79.418","0.003","601.95","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H19 N -","- C15 H19 N -","- C30 H38 N2 -","2","1","","Klein, Johannes E. M. N.; Müller-Bunz, Helge; Evans, Paul","Studies concerning the electrophilic amino-alkene cyclisation for the synthesis of bicyclic amines","Organic & Biomolecular Chemistry","2009","7","5","986","995","10.1039/b819610a","","","0.71073","MoKα","","0.0461","0.037","","","0.0885","0.0934","","","","","","1.077","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150575","29.078","0.007","4.8656","0.0012","22.535","0.005","90","","96.268","0.005","90","","3169.2","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 Br N O -","- C16 H24 Br N O -","- C128 H192 Br8 N8 O8 -","8","1","","Klein, Johannes E. M. N.; Müller-Bunz, Helge; Evans, Paul","Studies concerning the electrophilic amino-alkene cyclisation for the synthesis of bicyclic amines","Organic & Biomolecular Chemistry","2009","7","5","986","995","10.1039/b819610a","","","0.71073","MoKα","","0.0296","0.0255","","","0.0626","0.0645","","","","","","1.066","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150576","26.387","0.005","6.8937","0.0012","19.161","0.003","90","","122.455","0.003","90","","2941.1","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H21 Br Cl N -","- C15 H21 Br Cl N -","- C120 H168 Br8 Cl8 N8 -","8","1","","Klein, Johannes E. M. N.; Müller-Bunz, Helge; Evans, Paul","Studies concerning the electrophilic amino-alkene cyclisation for the synthesis of bicyclic amines","Organic & Biomolecular Chemistry","2009","7","5","986","995","10.1039/b819610a","","","0.71073","MoKα","","0.0297","0.0267","","","0.0686","0.07","","","","","","1.072","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150577","6.237","0.002","12.419","0.004","17.923","0.006","90","","90","","90","","1388.3","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 N O2 S -","- C15 H21 N O2 S -","- C60 H84 N4 O8 S4 -","4","1","","Klein, Johannes E. M. N.; Müller-Bunz, Helge; Evans, Paul","Studies concerning the electrophilic amino-alkene cyclisation for the synthesis of bicyclic amines","Organic & Biomolecular Chemistry","2009","7","5","986","995","10.1039/b819610a","","","0.71073","MoKα","","0.064","0.0554","","","0.1326","0.1371","","","","","","1.075","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150578","7.3608","0.0007","12.176","0.0011","15.1409","0.0014","103.092","0.002","93.82","0.002","100.303","0.002","1292.3","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C9 H14 O2 -","- C9 H14 O2 -","- C54 H84 O12 -","6","3","","Klein, Johannes E. M. N.; Müller-Bunz, Helge; Evans, Paul","Studies concerning the electrophilic amino-alkene cyclisation for the synthesis of bicyclic amines","Organic & Biomolecular Chemistry","2009","7","5","986","995","10.1039/b819610a","","","0.71073","MoKα","","0.0431","0.0353","","","0.081","0.085","","","","","","1.043","","","","has coordinates,has disorder","301861","2025-08-22","11:11:47",""
"7150579","10.3845","0.0009","14.8703","0.0013","10.5114","0.0009","90","","107.902","0.002","90","","1544.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 Cl N O -","- C16 H24 Cl N O -","- C64 H96 Cl4 N4 O4 -","4","1","","Klein, Johannes E. M. N.; Müller-Bunz, Helge; Evans, Paul","Studies concerning the electrophilic amino-alkene cyclisation for the synthesis of bicyclic amines","Organic & Biomolecular Chemistry","2009","7","5","986","995","10.1039/b819610a","","","0.71073","MoKα","","0.0533","0.0501","","","0.1499","0.154","","","","","","1.102","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150580","16.115","0.002","10.4898","0.0013","10.9685","0.0014","90","","121.095","0.003","90","","1587.7","0.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H24 Cl N -","- C17 H24 Cl N -","- C68 H96 Cl4 N4 -","4","1","","Klein, Johannes E. M. N.; Müller-Bunz, Helge; Evans, Paul","Studies concerning the electrophilic amino-alkene cyclisation for the synthesis of bicyclic amines","Organic & Biomolecular Chemistry","2009","7","5","986","995","10.1039/b819610a","","","0.71073","MoKα","","0.0517","0.0432","","","0.1006","0.1045","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150581","11.2099","0.0005","15.8759","0.0006","35.534","0.0015","90","","90","","90","","6323.9","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C65 H89 I N2 O8 -","- C65 H89 I N2 O8 -","- C260 H356 I4 N8 O32 -","4","1","","Podoprygorina, Ganna; Bolte, Michael; Böhmer, Volker","Tetra-urea calix[4]arenes 1,3-bridged at the narrow rim","Organic & Biomolecular Chemistry","2009","7","8","1592","1598","10.1039/B819710e","","","0.71073","MoKα","","0.0411","0.0387","","","0.1059","0.1082","","","","","","1.012","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150582","13.2687","0.0005","13.5843","0.0004","31.5174","0.0012","90","","94.788","0.003","90","","5661.1","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H65 I N6 O17 -","- C56 H65 I N6 O17 -","- C224 H260 I4 N24 O68 -","4","1","","Podoprygorina, Ganna; Bolte, Michael; Böhmer, Volker","Tetra-urea calix[4]arenes 1,3-bridged at the narrow rim","Organic & Biomolecular Chemistry","2009","7","8","1592","1598","10.1039/B819710e","","","0.71073","MoKα","","0.0429","0.0352","","","0.0918","0.0952","","","","","","1.045","","","","has coordinates,has disorder","180291","2020-10-21","18:00:00",""
"7150583","42.923","0.001","18.262","0.001","29.806","0.001","90","","129.106","0.01","90","","18130","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C100.25 H94.25 Cl9.75 N7 Zn -","- C100.25 H94.25 Cl9.75 N7 Zn -","- C802 H754 Cl78 N56 Zn8 -","8","1","","Sooambar, Chloè; Troiani, Vincent; Bruno, Carlo; Marcaccio, Massimo; Paolucci, Francesco; Listorti, Andrea; Belbakra, Abdelhalim; Armaroli, Nicola; Magistrato, Alessandra; De Zorzi, Rita; Geremia, Silvano; Bonifazi, Davide","Synthesis, photophysical, electrochemical, and electrochemiluminescent properties of 5,15-bis(9-anthracenyl)porphyrin derivatives","Organic & Biomolecular Chemistry","2009","7","11","2402","2413","10.1039/b820210a","","","1","synchrotron","","0.0853","0.0776","","","0.2111","0.2219","","","","","","1.029","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150584","9.0583","0.0004","15.2181","0.0007","15.4705","0.0005","114.522","0.002","106.688","0.002","91.036","0.003","1835.34","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H78 Cl10 N4 Zn -","- C81 H78 Cl10 N4 Zn -","- C81 H78 Cl10 N4 Zn -","1","0.5","","Sooambar, Chloè; Troiani, Vincent; Bruno, Carlo; Marcaccio, Massimo; Paolucci, Francesco; Listorti, Andrea; Belbakra, Abdelhalim; Armaroli, Nicola; Magistrato, Alessandra; De Zorzi, Rita; Geremia, Silvano; Bonifazi, Davide","Synthesis, photophysical, electrochemical, and electrochemiluminescent properties of 5,15-bis(9-anthracenyl)porphyrin derivatives","Organic & Biomolecular Chemistry","2009","7","11","2402","2413","10.1039/b820210a","","","1.54184","CuKα","","0.0782","0.0641","","","0.1839","0.1943","","","","","","1.075","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150585","8.584","0.0002","12.9688","0.0003","10.3119","0.0002","90","","100.852","0.001","90","","1127.43","0.04","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 I N2 O -","- C9 H13 I N2 O -","- C36 H52 I4 N8 O4 -","4","1","","Plater, M. John; Barnes, Paul; McDonald, Lauren K.; Wallace, Sandy; Archer, Nia; Gelbrich, Thomas; Horton, Peter N.; Hursthouse, Michael B.","Hidden signatures: new reagents for developing latent fingerprints","Organic & Biomolecular Chemistry","2009","7","8","1633","1641","10.1039/b820257e","","","0.71073","MoKα","","0.0206","0.0189","","","0.0422","0.043","","","","","","1.082","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150586","7.9338","0.0002","14.4447","0.0005","11.0343","0.0003","90","","103.597","0.002","90","","1229.1","0.06","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 I N O2 -","- C12 H14 I N O2 -","- C48 H56 I4 N4 O8 -","4","1","","Plater, M. John; Barnes, Paul; McDonald, Lauren K.; Wallace, Sandy; Archer, Nia; Gelbrich, Thomas; Horton, Peter N.; Hursthouse, Michael B.","Hidden signatures: new reagents for developing latent fingerprints","Organic & Biomolecular Chemistry","2009","7","8","1633","1641","10.1039/b820257e","","","0.71073","MoKα","","0.0242","0.0237","","","0.0569","0.0573","","","","","","1.022","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150587","8.2775","0.0012","15.616","0.002","12.3892","0.0018","90","","98.896","0.003","90","","1582.2","0.4","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","","Ko, Young Ok; Chun, Yu Sung; Park, Cho-Long; Kim, Youngmee; Shin, Hyunik; Ahn, Sungho; Hong, Jongki; Lee, Sang-gi","An effective and general method for the highly regioselective synthesis of 1-phenylpyrazoles from β-enaminoketoesters, tandem Blaise–acylation adducts","Organic & Biomolecular Chemistry","2009","7","6","1132","1136","10.1039/b820324e","","","0.71073","MoKα","","0.0793","0.0421","","","0.0862","0.0943","","","","","","0.885","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150588","10.468","0.008","15.676","0.012","10.469","0.008","90","","103.79","","90","","1668","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","","Ko, Young Ok; Chun, Yu Sung; Park, Cho-Long; Kim, Youngmee; Shin, Hyunik; Ahn, Sungho; Hong, Jongki; Lee, Sang-gi","An effective and general method for the highly regioselective synthesis of 1-phenylpyrazoles from β-enaminoketoesters, tandem Blaise–acylation adducts","Organic & Biomolecular Chemistry","2009","7","6","1132","1136","10.1039/b820324e","","","0.71073","MoKα","","0.1489","0.0587","","","0.1324","0.1464","","","","","","0.881","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150589","12.182","0.002","19.321","0.004","9.0766","0.0017","90","","98.535","0.004","90","","2112.7","0.7","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 F3 N2 O2 -","- C25 H19 F3 N2 O2 -","- C100 H76 F12 N8 O8 -","4","1","","Ko, Young Ok; Chun, Yu Sung; Park, Cho-Long; Kim, Youngmee; Shin, Hyunik; Ahn, Sungho; Hong, Jongki; Lee, Sang-gi","An effective and general method for the highly regioselective synthesis of 1-phenylpyrazoles from β-enaminoketoesters, tandem Blaise–acylation adducts","Organic & Biomolecular Chemistry","2009","7","6","1132","1136","10.1039/b820324e","","","0.71073","MoKα","","0.0749","0.0341","","","0.0551","0.0586","","","","","","0.676","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150590","9.801","0.002","9.982","0.002","12.377","0.003","78.875","0.005","88.801","0.005","64.005","0.004","1065.1","0.4","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H19 F3 N2 O2 -","- C25 H19 F3 N2 O2 -","- C50 H38 F6 N4 O4 -","2","1","","Ko, Young Ok; Chun, Yu Sung; Park, Cho-Long; Kim, Youngmee; Shin, Hyunik; Ahn, Sungho; Hong, Jongki; Lee, Sang-gi","An effective and general method for the highly regioselective synthesis of 1-phenylpyrazoles from β-enaminoketoesters, tandem Blaise–acylation adducts","Organic & Biomolecular Chemistry","2009","7","6","1132","1136","10.1039/b820324e","","","0.71073","MoKα","","0.2089","0.0684","","","0.1151","0.1613","","","","","","0.714","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150591","10.2157","0.0003","11.9363","0.0005","12.9452","0.0005","66.5184","0.0017","89.148","0.002","86.525","0.002","1445.05","0.09","160","1","160","1","","","","","","","","4","P -1","-P 1","2","","","","- C38 H32 N4 O2 -","- C38 H32 N4 O2 -","- C76 H64 N8 O4 -","2","1","","Frantz, Derik K.; Sullivan, Ashley A.; Yasui, Yoshizumi; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Synthesis, X-ray crystal structures, and computational studies of 1,1′-bridged 4,4′-diaryl-2,2′-bibenzimidazoles: building blocks for supramolecular structures","Organic & Biomolecular Chemistry","2009","7","11","2347","2352","10.1039/b820502g","","","0.71073","MoKα","","0.112","0.0615","","","0.1318","0.1543","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150592","21.4622","0.0003","7.4031","0.0001","23.7326","0.0003","90","","94.2256","0.0009","90","","3760.55","0.09","160","1","160","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H46 N4 O3 -","- C45 H46 N4 O3 -","- C180 H184 N16 O12 -","4","1","","Frantz, Derik K.; Sullivan, Ashley A.; Yasui, Yoshizumi; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Synthesis, X-ray crystal structures, and computational studies of 1,1′-bridged 4,4′-diaryl-2,2′-bibenzimidazoles: building blocks for supramolecular structures","Organic & Biomolecular Chemistry","2009","7","11","2347","2352","10.1039/b820502g","","","0.71073","MoKα","","0.1144","0.077","","","0.1898","0.2173","","","","","","1.066","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150593","12.7522","0.0002","22.9038","0.0004","10.1324","0.0002","90","","106.799","0.001","90","","2833.11","0.09","160","1","160","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 Cl2 N4 O2 -","- C34 H32 Cl2 N4 O2 -","- C136 H128 Cl8 N16 O8 -","4","1","","Frantz, Derik K.; Sullivan, Ashley A.; Yasui, Yoshizumi; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Synthesis, X-ray crystal structures, and computational studies of 1,1′-bridged 4,4′-diaryl-2,2′-bibenzimidazoles: building blocks for supramolecular structures","Organic & Biomolecular Chemistry","2009","7","11","2347","2352","10.1039/b820502g","","","0.71073","MoKα","","0.108","0.0703","","","0.1954","0.2237","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150594","20.2497","0.0002","14.7082","0.0002","24.943","0.0004","90","","90","","90","","7428.94","0.17","160","1","160","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H42 Cl4 N4 O2 -","- C39 H42 Cl4 N4 O2 -","- C312 H336 Cl32 N32 O16 -","8","1","","Frantz, Derik K.; Sullivan, Ashley A.; Yasui, Yoshizumi; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Synthesis, X-ray crystal structures, and computational studies of 1,1′-bridged 4,4′-diaryl-2,2′-bibenzimidazoles: building blocks for supramolecular structures","Organic & Biomolecular Chemistry","2009","7","11","2347","2352","10.1039/b820502g","","","0.71073","MoKα","","0.0806","0.0538","","","0.1312","0.1457","","","","","","1.057","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150595","23.0441","0.0008","12.4981","0.0005","17.4616","0.0006","90","","98.296","0.003","90","","4976.4","0.3","160","1","160","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 N4 O2 -","- C32 H28 N4 O2 -","- C256 H224 N32 O16 -","8","1","","Frantz, Derik K.; Sullivan, Ashley A.; Yasui, Yoshizumi; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Synthesis, X-ray crystal structures, and computational studies of 1,1′-bridged 4,4′-diaryl-2,2′-bibenzimidazoles: building blocks for supramolecular structures","Organic & Biomolecular Chemistry","2009","7","11","2347","2352","10.1039/b820502g","","","0.71073","MoKα","","0.0922","0.0575","","","0.1338","0.1522","","","","","","1.073","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150596","8.5899","0.0004","27.0079","0.0012","12.9677","0.0005","90","","104.886","0.003","90","","2907.5","0.2","160","1","160","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N4 O2 -","- C36 H36 N4 O2 -","- C144 H144 N16 O8 -","4","1","","Frantz, Derik K.; Sullivan, Ashley A.; Yasui, Yoshizumi; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Synthesis, X-ray crystal structures, and computational studies of 1,1′-bridged 4,4′-diaryl-2,2′-bibenzimidazoles: building blocks for supramolecular structures","Organic & Biomolecular Chemistry","2009","7","11","2347","2352","10.1039/b820502g","","","0.71073","MoKα","","0.1479","0.0933","","","0.2297","0.2685","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150597","7.595","0.0001","10.1858","0.0002","10.5743","0.0002","105.965","0.0011","105.306","0.0012","95.0213","0.0009","747.2","0.02","160","1","160","1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 S2 -","- C18 H16 N2 S2 -","- C36 H32 N4 S4 -","2","1","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels–Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.0757","0.0563","","","0.1402","0.1515","","","","","","1.037","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150598","13.9453","0.0004","25.7283","0.0005","31.5668","0.0007","90","","90","","90","","11325.8","0.5","260","1","260","1","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","","","- C19 H17.5 N2.5 -","- C19.66 H16 N2 -","- C629.12 H512 N64 -","32","1","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.0886","0.0559","","","0.1472","0.1748","","","","","","1.014","","","","has coordinates","180291","2020-10-21","18:00:00",""
"7150599","21.7712","0.0006","9.9895","0.0003","9.2316","0.0003","90","","104.664","0.0017","90","","1942.32","0.1","160","1","160","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 N2 -","- C28 H20 N2 -","- C112 H80 N8 -","4","0.5","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels–Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.0882","0.0609","","","0.1504","0.1688","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150600","15.718","0.0007","13.3493","0.0006","23.9219","0.001","90","","92.478","0.002","90","","5014.7","0.4","160","1","160","1","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C24.5 H28 N4 O2.5 -","- C24 H26 N4 O2 -","- C192 H208 N32 O16 -","8","2","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.1478","0.0933","","","0.2436","0.2758","","","","","","1.053","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150601","14.6105","0.0004","18.4987","0.0004","11.5185","0.0003","90","","110.07","0.0014","90","","2924.12","0.13","160","1","160","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 Cl6 N2 O2 -","- C30 H22 Cl6 N2 O2 -","- C120 H88 Cl24 N8 O8 -","4","0.5","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels–Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.101","0.0598","","","0.1391","0.1608","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150602","7.4781","0.0001","22.6399","0.0003","23.883","0.0003","90","","97.0449","0.0007","90","","4012.95","0.09","160","1","160","1","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C26.25 H16.5 Cl0.5 N2 O2 -","- C26.25 H16.5 Cl0.5 N2 O2 -","- C210 H132 Cl4 N16 O16 -","8","4","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels–Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.0753","0.0563","","","0.1289","0.138","","","","","","1.074","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150603","11.4681","0.0002","8.0005","0.0001","20.8185","0.0004","90","","94.4706","0.0011","90","","1904.3","0.05","160","1","160","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N6 -","- C24 H20 N6 -","- C96 H80 N24 -","4","1","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels–Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.0794","0.0509","","","0.1166","0.133","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150604","9.5615","0.0002","9.9958","0.0003","12.942","0.0003","85.6212","0.0013","72.6708","0.0012","62.3017","0.0014","1042.65","0.05","160","1","160","1","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 Cl2 N2 -","- C28 H18 Cl2 N2 -","- C56 H36 Cl4 N4 -","2","1","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels–Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.0861","0.0742","","","0.1924","0.2015","","","","","","1.085","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150605","5.2259","0.0001","18.397","0.0005","7.1402","0.0002","90","","109.441","0.0015","90","","647.33","0.03","160","1","160","1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C16 H12 N2 S2 -","- C16 H12 N2 S2 -","- C32 H24 N4 S4 -","2","0.5","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels–Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.0565","0.042","","","0.1019","0.1104","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150606","21.423","0.0005","10.0153","0.0003","7.9227","0.0003","90","","90","","90","","1699.88","0.09","160","1","160","1","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C24 H14 N4 -","- C24 H14 N4 -","- C96 H56 N16 -","4","0.5","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels–Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.1003","0.0698","","","0.1673","0.1879","","","","","","1.062","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150607","8.871","0.0002","10.0494","0.0002","21.2597","0.0005","90","","102.122","0.0015","90","","1853","0.07","160","1","160","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 N2 S2 -","- C24 H16 N2 S2 -","- C96 H64 N8 S8 -","4","0.5","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels–Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.0741","0.0552","","","0.1367","0.1484","","","","","","1.088","","","","has coordinates,has disorder","301861","2025-08-22","11:11:47",""
"7150608","21.4777","0.0006","10.0334","0.0003","7.525","0.0003","90","","90","","90","","1621.6","0.09","160","1","160","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C22 H12 N2 S2 -","- C22 H12 N2 S2 -","- C88 H48 N8 S8 -","4","0.5","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels–Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.07","0.0503","","","0.1249","0.1365","","","","","","1.039","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150609","15.6806","0.0012","10.8157","0.0009","15.0851","0.0013","90","","118.174","0.004","90","","2255.3","0.3","160","1","160","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C128 H96 N16 -","8","1","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels–Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.1119","0.0608","","","0.1491","0.1785","","","","","","1.015","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150610","22.5128","0.0016","9.9474","0.0008","7.9414","0.0006","90","","103.717","0.005","90","","1727.7","0.2","160","1","160","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 N2 -","- C26 H16 N2 -","- C104 H64 N8 -","4","0.5","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels–Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.0965","0.0524","","","0.1195","0.1445","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150611","8.3958","0.0002","9.9699","0.0002","19.6247","0.0005","90","","90","","90","","1642.69","0.07","160","1","160","1","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C80 H64 N8 O16 -","4","0.5","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels–Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.0497","0.0448","","","0.1095","0.1135","","","","","","1.161","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150612","9.9472","0.0002","13.2994","0.0002","11.5775","0.0002","90","","114.658","0.0008","90","","1391.95","0.04","160","1","160","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H12 N2 O4 -","- C18 H12 N2 O4 -","- C72 H48 N8 O16 -","4","2","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels–Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.0495","0.0434","","","0.1138","0.1187","","","","","","1.085","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150613","7.8327","0.0002","19.1058","0.0004","6.8699","0.0002","90","","105.77","0.0013","90","","989.39","0.04","160","1","160","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 Br2 -","- C12 H6 Br2 -","- C48 H24 Br8 -","4","1","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels‒Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.0542","0.0402","","","0.0937","0.1004","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150614","8.3569","0.0005","9.9526","0.0006","21.8278","0.0009","90","","100.864","0.004","90","","1782.94","0.17","160","1","160","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 O2 -","- C24 H16 N2 O2 -","- C96 H64 N8 O8 -","4","1","","Rahanyan, Nelli; Linden, Anthony; Baldridge, Kim K.; Siegel, Jay S.","Diels–Alder reactions of 3,6-disubstituted 1,2,4,5-tetrazines. Synthesis and X-ray crystal structures of diazafluoranthene derivatives","Organic & Biomolecular Chemistry","2009","7","10","2082","2092","10.1039/b820551e","","","0.71073","MoKα","","0.1263","0.0565","","","0.1336","0.1775","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150615","10.0678","0.0003","15.9325","0.0005","11.7652","0.0004","90","","111.406","0.002","90","","1757.02","0.1","173","","","","","","","","","","LOC ETH Zurich","3","P 1 21/c 1","-P 2ybc","14","(E)-2-(3-cyclohexyl-1-(4- (dimethylamino)phenyl)allylidene)malononitrile","(E)-2-(3-cyclohexyl-1-(4-(dimethylamino)phenyl)allylidene)malononitrile","","- C20 H23 N3 -","- C20 H23 N3 -","- C80 H92 N12 -","4","1","","Jarowski, Peter D.; Wu, Yi-Lin; Boudon, Corinne; Gisselbrecht, Jean-Paul; Gross, Maurice; Schweizer, W. Bernd; Diederich, François","New donor–acceptor chromophores by formal [2+2] cycloaddition of donor-substituted alkynes to dicyanovinyl derivatives","Organic & Biomolecular Chemistry","2009","7","7","1312","1322","10.1039/b821230a","","","0.71073","MoKα","","0.0593","0.045","","","0.1319","0.1459","","","","","","1.035","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150616","9.4778","0.0003","7.942","0.0003","24.0757","0.0009","90","","93.4125","0.0014","90","","1809.03","0.11","223","","","","","","","","","","LOC ETH Zurich","4","P 1 21/c 1","-P 2ybc","14","(E)-2-(3-(4-bromophenyl)-1-(4- (dimethylamino)phenyl)allylidene)malononitrile","(E)-2-(3-(4-bromophenyl)-1-(4-(dimethylamino)phenyl)allylidene)malononitrile","","- C20 H16 Br N3 -","- C20 H16 Br N3 -","- C80 H64 Br4 N12 -","4","1","","Jarowski, Peter D.; Wu, Yi-Lin; Boudon, Corinne; Gisselbrecht, Jean-Paul; Gross, Maurice; Schweizer, W. Bernd; Diederich, François","New donor–acceptor chromophores by formal [2+2] cycloaddition of donor-substituted alkynes to dicyanovinyl derivatives","Organic & Biomolecular Chemistry","2009","7","7","1312","1322","10.1039/b821230a","","","0.71073","MoKα","","0.0744","0.0505","","","0.1464","0.1684","","","","","","1.086","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150617","7.8176","0.0002","15.0473","0.0004","16.0532","0.0005","104.702","0.002","90.581","0.002","104.638","0.002","1761.71","0.09","203","","","","","","","","","","LOC ETH Zurich","4","P -1","-P 1","2","2-(1-(4-(dimethylamino)phenyl)-3-(4- methoxyphenyl)allylidene)propanedinitrile","2-(1-(4-(dimethylamino)phenyl)-3-(4-methoxyphenyl)allylidene)propanedinitrile","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C84 H76 N12 O4 -","4","2","","Jarowski, Peter D.; Wu, Yi-Lin; Boudon, Corinne; Gisselbrecht, Jean-Paul; Gross, Maurice; Schweizer, W. Bernd; Diederich, François","New donor–acceptor chromophores by formal [2+2] cycloaddition of donor-substituted alkynes to dicyanovinyl derivatives","Organic & Biomolecular Chemistry","2009","7","7","1312","1322","10.1039/b821230a","","","0.71073","MoKα","","0.0624","0.0445","","","0.1259","0.1433","","","","","","0.988","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150618","10.739","0.0014","11.1934","0.0015","12.1609","0.0016","93.177","0.002","97.768","0.002","109.836","0.002","1354.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N2 O4 -","- C15 H16 N2 O4 -","- C60 H64 N8 O16 -","4","2","","Reyes-Gutiérrez, Paul E.; Torres-Ochoa, Rubén O.; Martínez, Roberto; Miranda, Luis D.","Synthesis of azepino[4,5-b]indolones via an intermolecular radical oxidative substitution of N-Boc tryptamine","Organic & Biomolecular Chemistry","2009","7","7","1388","1396","10.1039/b821260k","","","0.71073","MoKα","","0.0678","0.0511","","","0.1195","0.1281","","","","","","1.037","","","","has coordinates,has disorder","301861","2025-08-22","11:11:47",""
"7150619","9.7516","0.0016","17.835","0.003","8.8391","0.0014","90","","90.635","0.002","90","","1537.2","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C72 H72 N8 O16 -","4","1","","Reyes-Gutiérrez, Paul E.; Torres-Ochoa, Rubén O.; Martínez, Roberto; Miranda, Luis D.","Synthesis of azepino[4,5-b]indolones via an intermolecular radical oxidative substitution of N-Boc tryptamine","Organic & Biomolecular Chemistry","2009","7","7","1388","1396","10.1039/b821260k","","","0.71073","MoKα","","0.0616","0.0378","","","0.0751","0.0817","","","","","","0.917","","","","has coordinates,has disorder","301861","2025-08-22","11:11:47",""
"7150620","8.3976","0.0011","22.631","0.003","10.234","0.0014","90","","102.952","0.004","90","","1895.4","0.4","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C38 H45 N3 O11 -","- C38 H45 N3 O11 -","- C76 H90 N6 O22 -","2","1","","Ribes, Celia; Falomir, Eva; Murga, Juan; Carda, Miguel; Alberto Marco, J.","Convergent, stereoselective syntheses of the glycosidase inhibitors broussonetines D and M","Organic & Biomolecular Chemistry","2009","7","7","1355","1360","10.1039/b821431j","","x-ray","0.71073","MoKα","","0.2248","0.0686","","","0.1408","0.2022","","","","","","0.957","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150621","13.5773","0.0006","13.5923","0.0006","15.9863","0.0007","87.224","0.001","71.872","0.001","84.466","0.001","2790.2","0.2","243","2","243","2","","","","","","","","6","P -1","-P 1","2","IMes-Pd(dmba)Cl","(chloro (1,3-bis(2,4,6-trimethylphenyl)imidazol-2-ylidene) (k2-N,C-dimethylbenzylamine)palladium (II)","","- C30 H36.5 Cl N3 O0.25 Pd -","- C30 H36.5 Cl N3 O0.25 Pd -","- C120 H146 Cl4 N12 O Pd4 -","4","2","","Peh, Guang-Rong; Kantchev, Eric Assen B.; Zhang, Chi; Ying, Jackie Y.","N-heterocycle carbene (NHC)-ligated cyclopalladated N,N-dimethylbenzylamine: a highly active, practical and versatile catalyst for the Heck‒Mizoroki reaction","Organic & Biomolecular Chemistry","2009","7","10","2110","2119","10.1039/b821892g","","","0.71073","MoKα","","0.0427","0.0346","","","0.0829","0.0866","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150622","27.786","0.002","4.5194","0.0008","17.0553","0.0004","90","","90","","90","","2141.7","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","aromatic amide","","","- C25 H20 N2 O7 -","- C25 H20 N2 O7 -","- C100 H80 N8 O28 -","4","1","","Prabhakaran, Panchami; Puranik, Vedavati G.; Chandran, Jima N.; Rajamohanan, P. R.; Hofmann, Hans-Jörg; Sanjayan, Gangadhar J.","Sterically controlled naphthalene homo-oligoamides with novel structural architectures","Organic & Biomolecular Chemistry","2009","7","11","2458","2465","10.1039/b822076j","","","0.71073","MoKα","","0.0497","0.035","","","0.0751","0.078","","","","","","1.012","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150623","10.1275","0.0013","10.7976","0.0014","11.7307","0.0014","96.883","0.003","94.267","0.003","90.92","0.003","1269.6","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","aromatic amide","","","- C26 H23 Cl3 N2 O5 -","- C26 H22 Cl3 N2 O5 -","- C52 H44 Cl6 N4 O10 -","2","1","","Prabhakaran, Panchami; Puranik, Vedavati G.; Chandran, Jima N.; Rajamohanan, P. R.; Hofmann, Hans-Jörg; Sanjayan, Gangadhar J.","Sterically controlled naphthalene homo-oligoamides with novel structural architectures","Organic & Biomolecular Chemistry","2009","7","11","2458","2465","10.1039/b822076j","","","0.71073","MoKα","","0.2465","0.0705","","","0.1925","0.2732","","","","","","0.79","","","","has coordinates,has disorder","180292","2020-10-21","18:00:00",""
"7150624","9.648","0.0019","9.9528","0.0019","17.941","0.003","90","","90","","90","","1722.8","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Br O5 -","- C16 H19 Br O5 -","- C64 H76 Br4 O20 -","4","1","","Yang, Jin; Wang, Ting; Ding, Zhenhua; Shen, Zongxuan; Zhang, Yawen","Highly diastereo- and enantioselective organocatalytic addition of acetone to β-substituted α-ketoesters via dynamic kinetic resolution","Organic & Biomolecular Chemistry","2009","7","10","2208","2213","10.1039/b822127h","","","0.7107","MoKα","","0.1148","0.0748","","","0.1449","0.1602","","","","","","1.169","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150625","6.1265","0.0004","13.8082","0.0009","19.2305","0.0013","90","","90","","90","","1626.82","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N3 O -","- C18 H21 N3 O -","- C72 H84 N12 O4 -","4","1","","Coeffard, Vincent; Müller-Bunz, Helge; Guiry, Patrick J.","The synthesis of new oxazoline-containing bifunctional catalysts and their application in the addition of diethylzinc to aldehydes","Organic & Biomolecular Chemistry","2009","7","8","1723","1734","10.1039/b822580j","","","0.71073","MoKα","","0.0398","0.0368","","","0.0981","0.1009","","","","","","1.051","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150626","10.4417","0.0006","11.1428","0.0006","17.018","0.0009","90","","90","","90","","1980.04","0.19","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Cl2 N3 O Zn -","- C18 H21 Cl2 N3 O Zn -","- C72 H84 Cl8 N12 O4 Zn4 -","4","1","","Coeffard, Vincent; Müller-Bunz, Helge; Guiry, Patrick J.","The synthesis of new oxazoline-containing bifunctional catalysts and their application in the addition of diethylzinc to aldehydes","Organic & Biomolecular Chemistry","2009","7","8","1723","1734","10.1039/b822580j","","","0.71073","MoKα","","0.0302","0.0285","","","0.0747","0.0759","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150627","8.146","0.004","10.714","0.005","13.58","0.007","69.23","0.007","85.432","0.007","89.137","0.007","1104.6","0.9","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 F2 O6 -","- C25 H24 F2 O6 -","- C50 H48 F4 O12 -","2","1","","Jiang, Bo; Hao, Wen-Juan; Zhang, Jin-Peng; Tu, Shu-Jiang; Shi, Feng","A new domino autocatalytic reaction leading to polyfunctionalized spiro[5.5]undecanes and dispiro[4.2.5.2]pentadecanes","Organic & Biomolecular Chemistry","2009","7","10","2195","2201","10.1039/b822645h","","","0.71073","MoKα","","0.0846","0.0535","","","0.133","0.1562","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150628","9.977","0.005","20.162","0.009","12.508","0.006","90","","94.934","0.008","90","","2507","2","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 O8 -","- C27 H30 O8 -","- C108 H120 O32 -","4","1","","Jiang, Bo; Hao, Wen-Juan; Zhang, Jin-Peng; Tu, Shu-Jiang; Shi, Feng","A new domino autocatalytic reaction leading to polyfunctionalized spiro[5.5]undecanes and dispiro[4.2.5.2]pentadecanes","Organic & Biomolecular Chemistry","2009","7","10","2195","2201","10.1039/b822645h","","","0.71073","MoKα","","0.2361","0.0747","","","0.1392","0.1874","","","","","","1.005","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150629","7.356","0.003","12.59","0.005","14.852","0.006","69.787","0.006","87.415","0.007","79.243","0.006","1267.8","0.9","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 Br2 N0 O6 -","- C26 H26 Br2 O6 -","- C52 H52 Br4 O12 -","2","1","","Jiang, Bo; Hao, Wen-Juan; Zhang, Jin-Peng; Tu, Shu-Jiang; Shi, Feng","A new domino autocatalytic reaction leading to polyfunctionalized spiro[5.5]undecanes and dispiro[4.2.5.2]pentadecanes","Organic & Biomolecular Chemistry","2009","7","10","2195","2201","10.1039/b822645h","","","0.71073","MoKα","","0.2196","0.0728","","","0.1245","0.1455","","","","","","1","","","","has coordinates,has disorder","180292","2020-10-21","18:00:00",""
"7150630","6.8061","0.0008","22.23","0.003","14.9656","0.0016","90","","99.243","0.002","90","","2234.9","0.5","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 O9 -","- C25 H22 O9 -","- C100 H88 O36 -","4","1","","Jiang, Bo; Hao, Wen-Juan; Zhang, Jin-Peng; Tu, Shu-Jiang; Shi, Feng","A new domino autocatalytic reaction leading to polyfunctionalized spiro[5.5]undecanes and dispiro[4.2.5.2]pentadecanes","Organic & Biomolecular Chemistry","2009","7","10","2195","2201","10.1039/b822645h","","","0.71073","MoKα","","0.3029","0.0943","","","0.1917","0.2599","","","","","","1.005","","","","has coordinates,has disorder","180292","2020-10-21","18:00:00",""
"7150631","10.8538","0.0005","10.2423","0.0004","18.513","0.0007","90","","100.106","0.002","90","","2026.12","0.14","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 N2 O4 -","- C22 H28 N2 O4 -","- C88 H112 N8 O16 -","4","1","","Coldham, Iain; Jana, Samaresh; Watson, Luke; Martin, Nathaniel G.","Cascade condensation, cyclization, intermolecular dipolar cycloaddition by multi-component coupling and application to a synthesis of (±)-crispine A","Organic & Biomolecular Chemistry","2009","7","8","1674","1679","10.1039/b822743h","","","0.71073","MoKα","","0.0733","0.0474","","","0.1159","0.1344","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150632","11.834","0.0004","16.5803","0.0005","9.4455","0.0003","90","","110.556","0.001","90","","1735.31","0.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O6 -","- C19 H23 N O6 -","- C76 H92 N4 O24 -","4","1","","Coldham, Iain; Jana, Samaresh; Watson, Luke; Martin, Nathaniel G.","Cascade condensation, cyclization, intermolecular dipolar cycloaddition by multi-component coupling and application to a synthesis of (±)-crispine A","Organic & Biomolecular Chemistry","2009","7","8","1674","1679","10.1039/b822743h","","","0.71073","MoKα","","0.0403","0.0358","","","0.0952","0.0988","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150633","9.0677","0.0003","12.2382","0.0004","13.3377","0.0004","88.777","0.002","73.519","0.002","80.784","0.002","1400.53","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 Cl3 N O6 S2 -","- C27 H28 Cl3 N O6 S2 -","- C54 H56 Cl6 N2 O12 S4 -","2","1","","Coldham, Iain; Jana, Samaresh; Watson, Luke; Martin, Nathaniel G.","Cascade condensation, cyclization, intermolecular dipolar cycloaddition by multi-component coupling and application to a synthesis of (±)-crispine A","Organic & Biomolecular Chemistry","2009","7","8","1674","1679","10.1039/b822743h","","","0.71073","MoKα","","0.0345","0.0292","","","0.0745","0.0778","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150634","11.18","0.007","17.516","0.008","13.175","0.007","90","","112.18","0.03","90","","2389","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H21.9 Br1.1 N O4 S -","- C25 H21.9 Br1.1 N O4 S -","- C100 H87.6 Br4.4 N4 O16 S4 -","4","1","","Ayats, Carles; Soley, Roger; Albericio, Fernando; Álvarez, Mercedes","Synthesis of the pyrrolo[2,3-c]carbazole core of the dictyodendrins","Organic & Biomolecular Chemistry","2009","7","5","860","862","10.1039/b822933n","","","0.71073","MoKα","","0.1179","0.056","","","0.1514","0.1857","","","","","","1.015","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150635","28.5943","0.0012","9.1264","0.0004","9.5011","0.0004","90","","90.748","0.002","90","","2479.22","0.18","223","2","223","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H24 N O5.5 S -","- C26 H24 N O5.5 S -","- C104 H96 N4 O22 S4 -","4","1","","Lorpitthaya, Rujee; Sophy, K. B.; Kuo, Jer-Lai; Liu, Xue-Wei","Highly stereoselective synthesis of aminoglycosides via rhodium-catalyzed and substrate-controlled aziridination of glycals","Organic & Biomolecular Chemistry","2009","7","7","1284","1287","10.1039/b823099b","","","0.71073","MoKα","","0.0814","0.07","","","0.2025","0.2216","","","","","","1.103","","","","has coordinates,has disorder","301861","2025-08-22","11:11:47",""
"7150636","11.0933","0.0002","26.7833","0.0006","13.2013","0.0003","90","","98.056","0.001","90","","3883.6","0.14","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H57 N5 O3 -","- C43 H57 N5 O3 -","- C172 H228 N20 O12 -","4","1","","Hiscock, Jennifer R.; Caltagirone, Claudia; Light, Mark E.; Hursthouse, Michael B.; Gale, Philip A.","Fluorescent carbazolylurea anion receptors","Organic & Biomolecular Chemistry","2009","7","9","1781","1783","10.1039/b900178f","","","0.71073","MoKα","","0.1274","0.0674","","","0.1354","0.1613","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150637","10.98","0.005","13.774","0.005","15.173","0.005","68.76","0.005","85.232","0.005","81.541","0.005","2114.5","1.4","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C48 H59 N5 O3 -","- C48 H59 N5 O3 -","- C96 H118 N10 O6 -","2","2","","Hiscock, Jennifer R.; Caltagirone, Claudia; Light, Mark E.; Hursthouse, Michael B.; Gale, Philip A.","Fluorescent carbazolylurea anion receptors","Organic & Biomolecular Chemistry","2009","7","9","1781","1783","10.1039/b900178f","","","0.71069","MoKα","","0.119","0.0661","","","0.1368","0.1589","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150638","9.2919","0.0008","13.7266","0.0012","12.8144","0.001","90","","92.825","0.002","90","","1632.4","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Zhang, Fengzhi; Simpkins, Nigel S.; Blake, Alexander J.","New approaches for the synthesis of erythrinan alkaloids","Organic & Biomolecular Chemistry","2009","7","9","1963","1979","10.1039/b900189a","","","0.71073","MoKα","","0.0563","0.0411","","","0.102","0.108","","","","","","0.97","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150639","12.0486","0.0003","12.5522","0.0003","15.703","0.0004","98.5162","0.0018","97.4398","0.0018","103.293","0.0018","2252.52","0.1","298","","298","","","","","","","","","5","P -1","-P 1","2","(7-benzyl-4-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan- 2-yl)-7H-pyrrolo(2","(7-benzyl-4-phenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine)","","- C25 H26 B N3 O2 -","- C25 H26 B N3 O2 -","- C100 H104 B4 N12 O8 -","4","2","","Klečka, Martin; Pohl, Radek; Klepetářová, Blanka; Hocek, Michal","Direct C–H borylation and C–H arylation of pyrrolo[2,3-d]pyrimidines: synthesis of 6,8-disubstituted 7-deazapurines","Organic & Biomolecular Chemistry","2009","7","5","866","868","10.1039/b900218a","","","1.54184","CuKα","","0.0911","0.0589","","0.0785","0.0675","0.0675","","","","","","1.0755","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150640","9.8513","0.0018","10.4417","0.0018","11.565","0.002","101.076","0.014","114.026","0.017","104.117","0.015","995.1","0.4","298","","298","","","","","","","","","3","P -1","-P 1","2","(7-benzyl-4-phenyl-6-p-tolyl-7H-pyrrolo(2,3-d)pyrimidine)","(7-benzyl-4-phenyl-6-p-tolyl-7H-pyrrolo[2,3-d]pyrimidine)","","- C26 H21 N3 -","- C26 H21 N3 -","- C52 H42 N6 -","2","1","","Klečka, Martin; Pohl, Radek; Klepetářová, Blanka; Hocek, Michal","Direct C–H borylation and C–H arylation of pyrrolo[2,3-d]pyrimidines: synthesis of 6,8-disubstituted 7-deazapurines","Organic & Biomolecular Chemistry","2009","7","5","866","868","10.1039/b900218a","","","1.54184","CuKα","","0.0791","0.0501","","0.0769","0.061","0.061","","","","","","1.0007","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150641","27.274","0.003","5.7146","0.0007","16.204","0.002","90","","90","","90","","2525.6","0.5","90","2","90","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H12 F N O3 -","- C16 H12 F N O3 -","- C128 H96 F8 N8 O24 -","8","2","","Guo, Yong; Twamley, Brendan; Shreeve, Jean'ne M.","Pd-catalyzed arylation of silyl enol ethers of substituted α-fluoroketones","Organic & Biomolecular Chemistry","2009","7","8","1716","1722","10.1039/b900311h","","","0.71073","MoKα","","0.0637","0.0468","","","0.1052","0.115","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150642","7.4507","0.0004","10.6081","0.0006","14.7549","0.0009","77.052","0.004","78.918","0.003","81.775","0.003","1109.24","0.11","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","Dimethyl 4-hydroxy-2,5-dimethylisophthalate","","- C12 H14 O4 -","- C12 H14 O4 -","- C48 H56 O16 -","4","2","","Shkoor, Mohanad; Riahi, Abdolmajid; Fatunsin, Olumide; Hussain, Ibrar; Yawer, Mirza A.; Lubbe, Mathias; Reim, Stefanie; Reinke, Helmut; Fischer, Christine; Langer, Peter","Diversity-oriented synthesis of 1-hydroxy-2,4-benzodioates by regioselective [3+3] cyclocondensations of 1,3-bis(silyloxy)-1,3-butadienes with 3-alkoxy- and 3-silyloxy-2-alkoxycarbonyl-2-en-1-ones","Organic & Biomolecular Chemistry","2009","7","10","2182","2186","10.1039/b900542k","","","0.71073","MoKα","","0.0949","0.0503","","","0.1178","0.1407","","","","","","1.017","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150643","4.0186","0.0002","33.9422","0.0015","11.3074","0.0005","90","","98.435","0.003","90","","1525.65","0.12","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dimethyl 4'-chloro-2-hydroxy-4-methylbiphenyl-3,5-dicarboxylate","","- C17 H15 Cl O5 -","- C17 H15 Cl O5 -","- C68 H60 Cl4 O20 -","4","1","","Shkoor, Mohanad; Riahi, Abdolmajid; Fatunsin, Olumide; Hussain, Ibrar; Yawer, Mirza A.; Lubbe, Mathias; Reim, Stefanie; Reinke, Helmut; Fischer, Christine; Langer, Peter","Diversity-oriented synthesis of 1-hydroxy-2,4-benzodioates by regioselective [3+3] cyclocondensations of 1,3-bis(silyloxy)-1,3-butadienes with 3-alkoxy- and 3-silyloxy-2-alkoxycarbonyl-2-en-1-ones","Organic & Biomolecular Chemistry","2009","7","10","2182","2186","10.1039/b900542k","","","0.71073","MoKα","","0.0857","0.0437","","","0.0895","0.1008","","","","","","0.899","","","","has coordinates,has disorder","301861","2025-08-22","11:11:47",""
"7150644","10.7093","0.0009","12.0684","0.0011","13.4541","0.0012","114.885","0.002","100.794","0.002","96.372","0.002","1514","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H52 Cl4 Cu2 N4 P2 -","- C66 H52 Cl4 Cu2 N4 P2 -","- C66 H52 Cl4 Cu2 N4 P2 -","1","0.5","","Fleming, William J.; Müller-Bunz, Helge; Lillo, Vanesa; Fernández, Elena; Guiry, Patrick J.","Axially chiral P-N ligands for the copper catalyzed β-borylation of α,β-unsaturated esters","Organic & Biomolecular Chemistry","2009","7","12","2520","2524","10.1039/b900741e","","","0.71073","MoKα","","0.0666","0.0535","","","0.1509","0.1572","","","","","","1.103","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150645","9.8195","0.0009","29.059","0.003","15.0113","0.0014","90","","95.039","0.002","90","","4266.8","0.7","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C47 H42 Cl F6 N3 P2 Pd -","- C47 H42 Cl F6 N3 P2 Pd -","- C188 H168 Cl4 F24 N12 P8 Pd4 -","4","2","","Fleming, William J.; Müller-Bunz, Helge; Lillo, Vanesa; Fernández, Elena; Guiry, Patrick J.","Axially chiral P-N ligands for the copper catalyzed β-borylation of α,β-unsaturated esters","Organic & Biomolecular Chemistry","2009","7","12","2520","2524","10.1039/b900741e","","","0.71073","MoKα","","0.0443","0.0408","","","0.1005","0.1028","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150646","11.836","0.002","16.17","0.003","12.621","0.003","90","","90","","90","","2415.5","0.8","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C30 H34 N4 -","- C30 H34 N4 -","- C120 H136 N16 -","4","1","","Alder, Roger W.; Hyland, Niall P.; Jeffery, John C.; Riis-Johannessen, Thomas; Riley, D. Jason","Poly(1,1-bis(dialkylamino)propan-1,3-diyl)s; conformationally-controlled oligomers bearing electroactive groups","Organic & Biomolecular Chemistry","2009","7","13","2704","2715","10.1039/b901060b","","","0.71073","MoKα","","0.0487","0.0428","","","0.0854","0.0875","","","","","","0.944","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150647","30.277","0.004","30.277","0.004","25.361","0.005","90","","90","","90","","23248","6","293","2","100","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- C46.2 H51.2 Cl3.6 N6 -","- C45 H26 N6 -","- C900 H520 N120 -","20","2.5","","Alder, Roger W.; Hyland, Niall P.; Jeffery, John C.; Riis-Johannessen, Thomas; Riley, D. Jason","Poly(1,1-bis(dialkylamino)propan-1,3-diyl)s; conformationally-controlled oligomers bearing electroactive groups","Organic & Biomolecular Chemistry","2009","7","13","2704","2715","10.1039/b901060b","","","0.71073","MoKα","","0.2136","0.1808","","","0.4508","0.4742","","","","","","1.629","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150648","13.395","0.003","13.92","0.003","18.238","0.004","82.99","0.03","74.76","0.03","63.01","0.03","2923.7","1.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C65 H75 Cl6 N8 -","- C65 H75 Cl6 N8 -","- C130 H150 Cl12 N16 -","2","1","","Alder, Roger W.; Hyland, Niall P.; Jeffery, John C.; Riis-Johannessen, Thomas; Riley, D. Jason","Poly(1,1-bis(dialkylamino)propan-1,3-diyl)s; conformationally-controlled oligomers bearing electroactive groups","Organic & Biomolecular Chemistry","2009","7","13","2704","2715","10.1039/b901060b","","","0.71073","MoKα","","0.0922","0.0791","","","0.2112","0.2168","","","","","","1.06","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150649","8.6359","0.0007","40.315","0.008","13.478","0.003","90","","107.581","0.01","90","","4473.3","1.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C106 H138 N12 O4 -","- C106 H138 N12 O4 -","- C212 H276 N24 O8 -","2","0.5","","Alder, Roger W.; Hyland, Niall P.; Jeffery, John C.; Riis-Johannessen, Thomas; Riley, D. Jason","Poly(1,1-bis(dialkylamino)propan-1,3-diyl)s; conformationally-controlled oligomers bearing electroactive groups","Organic & Biomolecular Chemistry","2009","7","13","2704","2715","10.1039/b901060b","","","1.54178","CuKα","","0.0429","0.0367","","","0.096","0.0987","","","","","","0.956","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150650","12.3277","0.0008","9.6466","0.0007","15.918","0.0011","90","","103.091","0.002","90","","1843.8","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 O3 -","- C22 H28 O3 -","- C88 H112 O12 -","4","1","","Bruder, Marjorie; Smith, Stephen J.; Blake, Alexander J.; Moody, Christopher J.","Synthesis of (±)-likonide B (smenochromene D) using a regioselective Claisen rearrangement, separation of the enantiomers and stereochemical assignment","Organic & Biomolecular Chemistry","2009","7","10","2127","2134","10.1039/b901358j","","","0.71073","MoKα","","0.0481","0.0436","","","0.12","0.124","","","","","","1.06","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150651","12.482","0.009","13.018","0.01","8.14","0.006","90","","107.639","0.012","90","","1260.5","1.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Ramachary, Dhevalapally B.; Venkaiah, Chintalapudi; Reddy, Y. Vijayendar; Kishor, Mamillapalli","Multi-catalysis cascade reactions based on the methoxycarbonylketene platform: diversity-oriented synthesis of functionalized non-symmetrical malonates for agrochemicals and pharmaceuticals","Organic & Biomolecular Chemistry","2009","7","10","2053","2062","10.1039/b901652j","","","0.71073","MoKα","","0.064","0.0447","","","0.1103","0.1203","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150652","6.1541","0.0012","7.9492","0.0016","8.6988","0.0017","71.93","0.03","70.89","0.03","83","0.03","382.17","0.16","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H23 N O5 -","- C15 H23 N O5 -","- C15 H23 N O5 -","1","1","","Mathieson, Jennifer E.; Crawford, James J.; Schmidtmann, Marc; Marquez, Rodolfo","Fast and efficient one step synthesis of dienamides","Organic & Biomolecular Chemistry","2009","7","10","2170","2175","10.1039/b901797f","","","0.71073","MoKα","","0.0362","0.0345","","","0.0933","0.095","","","","","","1.098","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150653","7.6796","0.0001","8.7072","0.0001","17.3304","0.0002","81.579","0.001","78.919","0.001","87.911","0.001","1124.94","0.02","296","2","296","2","","","","","","","","3","P -1","-P 1","2","2,3-diarylbenzofuran","","","- C26 H24 O7 -","- C26 H24 O7 -","- C52 H48 O14 -","2","1","","Kim, Ikyon; Choi, Jihyun","A versatile approach to oligostilbenoid natural products – synthesis of permethylated analogues of viniferifuran, malibatol A, and shoreaphenol","Organic & Biomolecular Chemistry","2009","7","13","2788","2795","10.1039/b901911a","","","0.71073","MoKα","","0.0615","0.0439","","","0.1164","0.1284","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150654","7.5867","0.0001","7.9569","0.0001","14.3677","0.0002","79.655","0.001","81.41","0.001","81.762","0.001","837.59","0.02","296","2","296","2","","","","","","","","3","P -1","-P 1","2","3-arylbenzofuran","","","- C38 H34 O12 -","- C38 H34 O12 -","- C38 H34 O12 -","1","0.5","","Kim, Ikyon; Choi, Jihyun","A versatile approach to oligostilbenoid natural products – synthesis of permethylated analogues of viniferifuran, malibatol A, and shoreaphenol","Organic & Biomolecular Chemistry","2009","7","13","2788","2795","10.1039/b901911a","","","0.71073","MoKα","","0.0679","0.0415","","","0.1011","0.1141","","","","","","1.041","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150655","7.9563","0.0012","8.4315","0.0012","28.798","0.004","90","","90","","90","","1931.9","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N3 O3 -","- C23 H23 N3 O3 -","- C92 H92 N12 O12 -","4","1","","Walton, Jeffrey G. A.; Patterson, Stephen; Liu, Gu; Haraldsen, Jeralyn D.; Hollick, Jonathan J.; Slawin, Alexandra M. Z.; Ward, Gary E.; Westwood, Nicholas J.","Synthesis and biological evaluation of functionalised tetrahydro-β-carboline analogues as inhibitors of Toxoplasma gondii invasion","Organic & Biomolecular Chemistry","2009","7","15","3049","","10.1039/b902319d","","","1.54178","CuKα","","0.1368","0.1033","","","0.2259","0.25","","","","","","1.142","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150656","7.475","0.001","8.234","0.001","16.061","0.002","90","","90","","90","","988.5","0.2","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","(1S,2S,7R,8S,9R)-8-hydroxymethyl-10,12-dioxatricyclo- (7.2.1.027)dodec-4-ene","(1S,2S,7R,8S,9R)-8-hydroxymethyl-10,12-dioxatricyclo- [7.2.1.027]dodec-4-ene","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","1","","Stevens, Anne T.; Caira, Mino R.; Bull, James R.; Chibale, Kelly","Cycloaddition and one-carbon homologation studies in the synthesis of advanced iridoid precursors","Organic & Biomolecular Chemistry","2009","7","17","3527","3536","10.1039/b902452b","","","0.71073","MoKα","","0.0496","0.0357","","","0.076","0.0815","","","","","","1.07","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150657","20.7","0.003","8.1002","0.0011","19.248","0.003","90","","94.392","0.002","90","","3217.9","0.8","100","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1,3,4,6,7,9-Hexamethylbenzo(1,2-c:3,4-c':5,6-c'')trithiophene","","","- C18 H18 S3 -","- C18 H18 S3 -","- C144 H144 S24 -","8","1","","Wu, Yao-Ting; Tai, Chia-Cheng; Lin, Wei-Chih; Baldridge, Kim K.","1,3,4,6,7,9-Hexamethylbenzo[1,2-c:3,4-c′:5,6-c′′]trithiophene: a twisted heteroarene","Organic & Biomolecular Chemistry","2009","7","13","2748","2755","10.1039/b902517k","","","0.71073","MoKα","","0.0468","0.0405","","","0.1054","0.11","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150658","20.7","0.003","8.1002","0.0011","19.248","0.003","90","","94.392","0.002","90","","3217.9","0.8","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","1,3,4,6,7,9-Hexamethylbenzo(1,2-c:3,4-c':5,6-c'')trithiophene","","","- C18 H18 S3 -","- C18 H18 S3 -","- C144 H144 S24 -","8","1","","Wu, Yao-Ting; Tai, Chia-Cheng; Lin, Wei-Chih; Baldridge, Kim K.","1,3,4,6,7,9-Hexamethylbenzo[1,2-c:3,4-c′:5,6-c′′]trithiophene: a twisted heteroarene","Organic & Biomolecular Chemistry","2009","7","13","2748","2755","10.1039/b902517k","","","0.71073","MoKα","","0.0598","0.0415","","","0.1058","0.1151","","","","","","0.95","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150659","7.361","0.003","10.817","0.004","12.31","0.004","90","","106.652","0.008","90","","939.1","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-ethyl 3-((S)-4-benzyl-2-oxooxazolidine-3-carbonyl)hex-5-enoate","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C38 H46 N2 O10 -","2","1","","Kerhervé, Jennifer; Botuha, Candice; Dubois, Joëlle","New asymmetric synthesis of protein farnesyltransferase inhibitors via palladium-catalyzed cross-coupling reactions of 2-iodo-imidazoles","Organic & Biomolecular Chemistry","2009","7","10","2214","2222","10.1039/b902601k","","","0.71069","MoKα","","0.0561","0.0411","","","0.099","0.1082","","","","","","1.084","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150660","12.3683","0.0017","4.9903","0.0008","12.8281","0.0018","90","","93.207","0.013","90","","790.5","0.2","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N O -","- C17 H23 N O -","- C34 H46 N2 O2 -","2","1","","Davies, Stephen G.; Garner, A. Christopher; Nicholson, Rebecca L.; Osborne, James; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E.","Doubly diastereoselective [3,3]-sigmatropic aza-Claisen rearrangements","Organic & Biomolecular Chemistry","2009","7","12","2604","2611","10.1039/b902753j","","","1.5418","CuKα","","0.0533","0.0511","","0.0611","0.0559","0.0557","","","","","","1.0335","","","","has coordinates,has disorder","301861","2025-08-22","11:11:47",""
"7150661","4.8727","0.0001","10.8284","0.0002","24.6333","0.0006","90","","95.4698","0.0009","90","","1293.82","0.05","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H35 N O2 -","- C30 H35 N O2 -","- C60 H70 N2 O4 -","2","1","","Davies, Stephen G.; Garner, A. Christopher; Nicholson, Rebecca L.; Osborne, James; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E.","Doubly diastereoselective [3,3]-sigmatropic aza-Claisen rearrangements","Organic & Biomolecular Chemistry","2009","7","12","2604","2611","10.1039/b902753j","","","0.71073","MoKα","","0.0683","0.041","","0.0728","0.0444","0.0511","","","","","","1.1768","","","","has coordinates,has disorder","301861","2025-08-22","11:11:47",""
"7150662","8.9487","0.0002","5.1851","0.0001","52.29","0.0007","90","","90","","90","","2426.25","0.08","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32.33 N O2 -","- C29 H32.3257 N O2 -","- C116 H129.303 N4 O8 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Nicholson, Rebecca L.; Osborne, James; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E.","Doubly diastereoselective [3,3]-sigmatropic aza-Claisen rearrangements","Organic & Biomolecular Chemistry","2009","7","12","2604","2611","10.1039/b902753j","","","0.71073","MoKα","","0.0983","0.0777","","0.1858","0.155","0.1587","","","","","","0.986","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150663","14.6725","0.0014","10.8383","0.001","18.7883","0.0013","90","","127.732","0.005","90","","2363","0.4","293","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 B F2 N4 O2 -","- C26 H29 B F2 N4 O2 -","- C104 H116 B4 F8 N16 O8 -","4","1","","Lu, Hua; Xiong, Liqin; Liu, Hanzhuang; Yu, Mengxiao; Shen, Zhen; Li, Fuyou; You, Xiaozeng","A highly selective and sensitive fluorescent turn-on sensor for Hg2+ and its application in live cell imaging","Organic & Biomolecular Chemistry","2009","7","12","2554","2558","10.1039/b902912e","","","0.71073","MoKα","","0.1056","0.0673","","","0.1892","0.2121","","","","","","0.93","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150664","28.3633","0.0009","28.3633","0.0009","21.8616","0.0016","90","","90","","90","","17587.1","1.5","100","0.1","100","0.1","","","","","","","","4","I 41/a :2","-I 4ad","88","cucurbit[8]uril","","","- C66 H60.8 N32 O20.4 -","- C66 H60.8 N32 O20.4 -","- C528 H486.4 N256 O163.2 -","8","0.5","","Wang, Ruibing; Bardelang, David; Waite, Mélanie; Udachin, Konstantin A.; Leek, Donald M.; Yu, Kui; Ratcliffe, Christopher I.; Ripmeester, John A.","Inclusion complexes of coumarin in cucurbiturils","Organic & Biomolecular Chemistry","2009","7","11","2435","2439","10.1039/b903057c","","","0.7107","MoKα","","0.09","0.0793","","","0.2292","0.2368","","","","","","1.507","","","","has coordinates,has disorder","301861","2025-08-22","11:11:47",""
"7150665","15.396","0.003","16.278","0.003","29.093","0.006","99.21","0.03","104.19","0.03","100.3","0.03","6794","3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C134 H144 Cl7 N16 O22 -","- C134 H120 Cl7 N16 O22 -","- C268 H240 Cl14 N32 O44 -","2","1","","Hu, Hai-Yu; Xiang, Jun-Feng; Chen, Chuan-Feng","Conformationally constrained aromatic oligoamide foldamers with supersecondary structure motifs","Organic & Biomolecular Chemistry","2009","7","12","2534","2539","10.1039/b903178b","","","0.71073","MoKα","","0.3228","0.149","","","0.3071","0.394","","","","","","1.125","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7150666","14.041","0.003","15.327","0.003","18.74","0.004","110.78","0.03","102.06","0.03","104.06","0.03","3458.6","1.9","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C133 H132.5 Cl13.5 N16 O20 -","- C133 H120 Cl13.5 N16 O20 -","- C133 H120 Cl13.5 N16 O20 -","1","0.5","","Hu, Hai-Yu; Xiang, Jun-Feng; Chen, Chuan-Feng","Conformationally constrained aromatic oligoamide foldamers with supersecondary structure motifs","Organic & Biomolecular Chemistry","2009","7","12","2534","2539","10.1039/b903178b","","","0.71073","MoKα","","0.2973","0.1473","","","0.3631","0.4435","","","","","","1.103","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150667","7.2064","0.0002","7.7304","0.0004","21.6681","0.001","90","","99.591","0.003","90","","1190.22","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Cl2 O2 -","- C12 H10 Cl2 O2 -","- C48 H40 Cl8 O8 -","4","1","","Kashinath, Dhurke; Mioskowski, Charles; Falck, J. R.; Goli, Mohan; Meunier, Stéphane; Baati, Rachid; Wagner, Alain","Highly stereoselective synthesis of (Z,E)-1-halo-1,3-dienol esters via rearrangement of Fischer chromium chloro-carbenes using microwave irradiation","Organic & Biomolecular Chemistry","2009","7","9","1771","1774","10.1039/b903244b","","","0.71073","MoKα","","0.0788","0.0462","","","0.1161","0.1368","","","","","","1.061","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150668","7.5568","0.0009","5.6463","0.0008","12.8318","0.0011","90","","92.578","0.007","90","","546.95","0.11","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H11 Cl O3 -","- C11 H11 Cl O3 -","- C22 H22 Cl2 O6 -","2","1","","Kashinath, Dhurke; Mioskowski, Charles; Falck, J. R.; Goli, Mohan; Meunier, Stéphane; Baati, Rachid; Wagner, Alain","Highly stereoselective synthesis of (Z,E)-1-halo-1,3-dienol esters via rearrangement of Fischer chromium chloro-carbenes using microwave irradiation","Organic & Biomolecular Chemistry","2009","7","9","1771","1774","10.1039/b903244b","","","0.71073","MoKα","","0.094","0.0638","","","0.14","0.1674","","","","","","1.111","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150669","12.2334","0.0015","4.9607","0.0006","18.6244","0.0019","90","","105.91","0.007","90","","1086.9","0.2","173","2","173","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C18 H31 I N2 O4 -","- C18 H31 I N2 O4 -","- C36 H62 I2 N4 O8 -","2","1","","Carbain, Benoit; Martin, Stephen R.; Collins, Patrick J.; Hitchcock, Peter B.; Streicher, Hansjörg","Galactose-conjugates of the oseltamivir pharmacophore—new tools for the characterization of influenza virus neuraminidases","Organic & Biomolecular Chemistry","2009","7","12","2570","2575","10.1039/b903394g","","x-ray","0.71073","MoKα","","0.1334","0.0736","","","0.1482","0.1772","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150670","8.3424","0.0001","9.2501","0.0001","11.6434","0.0002","98.854","0.001","97.19","0.001","94.937","0.001","875.71","0.02","285","2","285","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H28 Cl N O3 -","- C17 H28 Cl N O3 -","- C34 H56 Cl2 N2 O6 -","2","1","","Yang, Sung-Hyun; Clark, G. R.; Caprio, Vittorio","A concise approach to the core structures of pinnaic acid and halichlorine","Organic & Biomolecular Chemistry","2009","7","14","2981","2990","10.1039/b903904j","","","0.71073","MoKα","","0.0697","0.0443","","","0.1028","0.1162","","","","","","1.028","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150671","8.551","0.0002","10.7255","0.0002","10.3379","0.0002","90","","96.33","0.002","90","","942.35","0.03","84","2","84","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 N O2 -","- C10 H17 N O2 -","- C40 H68 N4 O8 -","4","1","","Yang, Sung-Hyun; Clark, G. R.; Caprio, Vittorio","A concise approach to the core structures of pinnaic acid and halichlorine","Organic & Biomolecular Chemistry","2009","7","14","2981","2990","10.1039/b903904j","","","0.71073","MoKα","","0.0633","0.0569","","","0.1569","0.1626","","","","","","1.1","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150672","7.0336","0.0001","20.633","0.0003","10.916","0.0001","90","","102.955","0.001","90","","1543.85","0.03","84","2","84","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H25 N O2 -","- C18 H25 N O2 -","- C72 H100 N4 O8 -","4","2","","Yang, Sung-Hyun; Clark, G. R.; Caprio, Vittorio","A concise approach to the core structures of pinnaic acid and halichlorine","Organic & Biomolecular Chemistry","2009","7","14","2981","2990","10.1039/b903904j","","","0.71073","MoKα","","0.0367","0.0336","","","0.0844","0.0872","","","","","","0.96","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150673","6.2552","0.0001","10.5282","0.0002","13.4329","0.0002","104.454","0.001","101.796","0.001","97.25","0.001","823.76","0.02","84","2","84","1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H27 N O3 -","- C18 H27 N O3 -","- C36 H54 N2 O6 -","2","1","","Yang, Sung-Hyun; Clark, G. R.; Caprio, Vittorio","A concise approach to the core structures of pinnaic acid and halichlorine","Organic & Biomolecular Chemistry","2009","7","14","2981","2990","10.1039/b903904j","","","0.71073","MoKα","","0.0735","0.0559","","","0.144","0.1582","","","","","","1.042","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150674","10.8855","0.001","12.0229","0.0011","13.1337","0.0012","88.141","0.002","75.077","0.002","73.626","0.002","1592","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H38 O2 -","- C40 H38 O2 -","- C80 H76 O4 -","2","1","","Li, Wei; Shi, Min","Triflic imide-catalyzed cascade cycloaddition and Friedel–Crafts reaction of diarylvinylidenecyclopropanes with ethyl 5,5-diarylpenta-2,3,4-trienoate","Organic & Biomolecular Chemistry","2009","7","9","1775","1777","10.1039/b903965a","","","0.71073","MoKα","","0.1545","0.0757","","","0.1628","0.1982","","","","","","0.941","","","","has coordinates,has disorder","301861","2025-08-22","11:11:47",""
"7150675","11.091","0.0008","12.2148","0.0008","27.0216","0.0019","90","","99.362","0.001","90","","3612","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H39 Cl4 O2 -","- C41 H39 Cl4 O2 -","- C164 H156 Cl16 O8 -","4","1","","Li, Wei; Shi, Min","Triflic imide-catalyzed cascade cycloaddition and Friedel‒Crafts reaction of diarylvinylidenecyclopropanes with ethyl 5,5-diarylpenta-2,3,4-trienoate","Organic & Biomolecular Chemistry","2009","7","9","1775","1777","10.1039/b903965a","","","0.71073","MoKα","","0.0969","0.0602","","","0.1556","0.1737","","","","","","0.983","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150676","9.7469","0.0012","11.613","0.0014","15.7201","0.0018","90.102","0.002","93.697","0.003","100.409","0.002","1746.3","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H40 Cl2 O3 -","- C42 H40 Cl2 O3 -","- C84 H80 Cl4 O6 -","2","1","","Li, Wei; Shi, Min","Triflic imide-catalyzed cascade cycloaddition and Friedel–Crafts reaction of diarylvinylidenecyclopropanes with ethyl 5,5-diarylpenta-2,3,4-trienoate","Organic & Biomolecular Chemistry","2009","7","9","1775","1777","10.1039/b903965a","","","0.71073","MoKα","","0.0995","0.0583","","","0.1324","0.1499","","","","","","0.909","","","","has coordinates,has disorder","301861","2025-08-22","11:11:47",""
"7150677","11.802","0.001","7.528","0.001","15.271","0.002","90","","110.66","0.01","90","","1269.5","0.3","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H47 Br O -","- C27 H47 Br O -","- C54 H94 Br2 O2 -","2","1","","Martin, René; Saini, Ratni; Bauer, Ingmar; Gruner, Margit; Kataeva, Olga; Zagoriy, Vyacheslav; Entchev, Eugeni V.; Kurzchalia, Teymuras V.; Knölker, Hans-Joachim","4α-Bromo-5α-cholestan-3β-ol and nor-5α-cholestan-3β-ol derivatives—stereoselective synthesis and hormonal activity in Caenorhabditis elegans","Organic & Biomolecular Chemistry","2009","7","11","2303","2309","10.1039/b904001c","","","0.71073","MoKα","","0.0393","0.0268","","","0.0574","0.0611","","","","","","1.04","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150678","12.7428","0.0004","17.2842","0.0006","18.132","0.0006","117.951","0.001","97.062","0.001","99.851","0.001","3379.7","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H92 Br4 N10 O7 -","- C64 H92 Br4 N10 O7 -","- C128 H184 Br8 N20 O14 -","2","1","","Willans, Charlotte E.; Anderson, Kirsty M.; Potts, Lydia C.; Steed, Jonathan W.","Allosteric effects in a tetrapodal imidazolium-derived calix[4]arene anion receptor","Organic & Biomolecular Chemistry","2009","7","13","2756","2760","10.1039/b904148f","","","0.71073","MoKα","","0.0606","0.038","","","0.0913","0.0999","","","","","","1.032","","","","has coordinates,has disorder","180292","2020-10-21","18:00:00",""
"7150679","17.8228","0.0007","18.0014","0.0007","25.5431","0.001","77.151","0.001","82.016","0.002","60.606","0.001","6957.1","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H102.5 Cl4 N8 O13.25 -","- C60 H76 Cl4 N8 O13.25 -","- C240 H304 Cl16 N32 O53 -","4","2","","Willans, Charlotte E.; Anderson, Kirsty M.; Potts, Lydia C.; Steed, Jonathan W.","Allosteric effects in a tetrapodal imidazolium-derived calix[4]arene anion receptor","Organic & Biomolecular Chemistry","2009","7","13","2756","2760","10.1039/b904148f","","","0.71073","MoKα","","0.2244","0.1233","","","0.3534","0.4138","","","","","","1.251","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150680","11.2373","0.0003","16.0639","0.0005","19.0982","0.0006","114.249","0.001","97.909","0.001","99.557","0.001","3017.42","0.16","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C61.33 H80.68 N12.66 O13.34 -","- C61.328 H77.992 N12.664 O13.336 -","- C122.656 H155.984 N25.328 O26.672 -","2","1","","Willans, Charlotte E.; Anderson, Kirsty M.; Potts, Lydia C.; Steed, Jonathan W.","Allosteric effects in a tetrapodal imidazolium-derived calix[4]arene anion receptor","Organic & Biomolecular Chemistry","2009","7","13","2756","2760","10.1039/b904148f","","","0.71073","MoKα","","0.166","0.0784","","","0.2197","0.2765","","","","","","1.029","","","","has coordinates,has disorder","180292","2020-10-21","18:00:00",""
"7150681","11.2796","0.0018","12.066","0.002","14.734","0.002","83.1","0.008","79.807","0.008","89.782","0.008","1959","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H20 Cl8 N6 O2 -","- C39 H20 Cl8 N6 O2 -","- C78 H40 Cl16 N12 O4 -","2","1","","Shin, Ji-Young; Patrick, Brian O.; Dolphin, David","Facile synthesis of dicyanovinyl-di(meso-aryl)dipyrromethenes via a dipyrromethene–DDQ adduct","Organic & Biomolecular Chemistry","2009","7","10","2032","2035","10.1039/b904446a","","","0.71073","MoKα","","0.0772","0.0527","","","0.1628","0.1743","","","","","","1.172","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150682","14.153","0.0016","10.3574","0.0011","20.116","0.002","90","","92.535","0.005","90","","2945.9","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H18 Cl4 N6 -","- C34 H18 Cl4 N6 -","- C136 H72 Cl16 N24 -","4","1","","Shin, Ji-Young; Patrick, Brian O.; Dolphin, David","Facile synthesis of dicyanovinyl-di(meso-aryl)dipyrromethenes via a dipyrromethene–DDQ adduct","Organic & Biomolecular Chemistry","2009","7","10","2032","2035","10.1039/b904446a","","","0.71073","MoKα","","0.053","0.0332","","","0.0725","0.0821","","","","","","1.016","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150683","7.8137","0.0008","9.9057","0.0011","14.0837","0.0016","84.895","0.005","77.368","0.005","81.828","0.005","1051","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H11 Cl4 N3 O3 -","- C22 H11 Cl4 N3 O3 -","- C44 H22 Cl8 N6 O6 -","2","1","","Shin, Ji-Young; Patrick, Brian O.; Dolphin, David","Facile synthesis of dicyanovinyl-di(meso-aryl)dipyrromethenes via a dipyrromethene–DDQ adduct","Organic & Biomolecular Chemistry","2009","7","10","2032","2035","10.1039/b904446a","","","0.71073","MoKα","","0.0381","0.0302","","","0.074","0.0787","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150684","8.6334","0.0001","11.818","0.0002","15.316","0.0002","77.339","0.001","88.859","0.001","89.677","0.001","1524.38","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","(E)-Dimethyl 1-benzyl-3-(1,2-dimethoxycarbonylvinylthio)-2- methyl-4-phenyl-1,4-dihydroselenopheno(2,3-b)pyrazine-6,7-dicarboxylate","","","- C30 H28 N2 O8 S Se -","- C30 H28 N2 O8 S Se -","- C60 H56 N4 O16 S2 Se2 -","2","1","","Zhang, Jian-Hong; Cheng, Ying","The [3 + 2] cycloaddition reaction of thiazole carbene-derived C-C-Se 1,3-dipoles: a concise and highly efficient strategy for the construction of multifunctional dihydroselenophenes and selenopheno[2,3-b]pyrazines","Organic & Biomolecular Chemistry","2009","7","16","3264","3270","10.1039/b904575a","","","0.71073","MoKα","","0.0483","0.0342","","","0.0892","0.0965","","","","","","1.029","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150685","9.781","0.002","11.518","0.002","11.812","0.002","88.96","0.03","72.07","0.03","80.99","0.03","1249.8","0.5","113","2","113","2","","","","","","","","7","P -1","-P 1","2","(2Z,5Z)-Methyl 4-(4-bromobenzylamino)-5-(3,4- dichlorophenylimino)-2-(2-phenylethylidene)-2,5-dihydroselenophene-3- carboxylate","","","- C27 H21 Br Cl2 N2 O2 Se -","- C27 H21 Br Cl2 N2 O2 Se -","- C54 H42 Br2 Cl4 N4 O4 Se2 -","2","1","","Zhang, Jian-Hong; Cheng, Ying","The [3 + 2] cycloaddition reaction of thiazole carbene-derived C-C-Se 1,3-dipoles: a concise and highly efficient strategy for the construction of multifunctional dihydroselenophenes and selenopheno[2,3-b]pyrazines","Organic & Biomolecular Chemistry","2009","7","16","3264","3270","10.1039/b904575a","","","0.71073","MoKα","","0.0579","0.0367","","","0.0852","0.0921","","","","","","0.946","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150686","17.91","0.015","6.296","0.005","19.948","0.016","90","","90.4","0.03","90","","2249","3","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 Cl2 N2 O -","- C25 H24 Cl2 N2 O -","- C100 H96 Cl8 N8 O4 -","4","1","","Vervisch, Karel; D'hooghe, Matthias; Törnroos, Karl W.; De Kimpe, Norbert","A new approach towards 1-phenyl and 1-benzyl substituted 2-(aminomethyl)cyclopropanecarboxamides as novel derivatives of the antidepressant Milnacipran","Organic & Biomolecular Chemistry","2009","7","16","3271","3279","10.1039/b904611a","","","0.71073","MoKα","","0.0488","0.0363","","","0.0893","0.0959","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150687","7.014","0.0014","9.494","0.0019","11.755","0.002","74.26","0.03","79.41","0.03","86.75","0.03","740.6","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H18 Br N O2 S -","- C13 H18 Br N O2 S -","- C26 H36 Br2 N2 O4 S2 -","2","1","","Wei, Jun-fa; Zhang, Li-hui; Chen, Zhan-guo; Shi, Xian-ying; Cao, Jing-jing","KI-catalyzed aminobromination of olefins with TsNH2–NBS combination","Organic & Biomolecular Chemistry","2009","7","16","3280","3284","10.1039/b904789a","","","0.71073","MoKα","","0.1013","0.0625","","","0.1679","0.1907","","","","","","0.998","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150688","17.635","0.003","11.989","0.003","9.298","0.002","90","","102.961","0.013","90","","1915.8","0.7","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,4-Bis(pyrimidine-2,4-dione-5-yl)butadiyne","1,4-Bis(pyrimidine-2,4-dione-5-yl)butadiyne","","- C16 H18 N4 O6 S2 -","- C16 H18 N4 O6 S2 -","- C64 H72 N16 O24 S8 -","4","1","","Schindler, Diana; Eißmann, Frank; Weber, Edwin","Rigid rod and tetrahedral hybrid compounds featuring nucleobase and nucleoside end-capped structures","Organic & Biomolecular Chemistry","2009","7","17","3549","3560","10.1039/b904889h","","","0.71073","MoKα","","0.0733","0.0466","","","0.1114","0.1217","","","","","","1.048","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150689","10.0148","0.0006","10.6959","0.0007","12.9949","0.0008","90","","102.575","0.001","90","","1358.59","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H37 N O5 S -","- C30 H37 N O5 S -","- C60 H74 N2 O10 S2 -","2","1","","Badorrey, Ramón; Portaña, Elsa; Díaz-de-Villegas, María D.; Gálvez, José A.","Stereocontrolled synthesis of orthogonally protected 2-substituted 4-aminopiperidines","Organic & Biomolecular Chemistry","2009","7","14","2912","2918","10.1039/b904948g","","","0.71073","MoKα","","0.0418","0.0401","","","0.1018","0.1028","","","","","","1.044","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150690","6.6372","0.0004","18.6367","0.0012","12.6435","0.0008","90","","93.235","0.001","90","","1561.45","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H39 F3 O10 -","- C33 H39 F3 O10 -","- C66 H78 F6 O20 -","2","1","","Simpson, Denise S.; Lovell, Kimberly M.; Lozama, Anthony; Han, Nina; Day, Victor W.; Dersch, Christina M.; Rothman, Richard B.; Prisinzano, Thomas E.","Synthetic studies of neoclerodane diterpenes from Salvia divinorum: role of the furan in affinity for opioid receptors","Organic & Biomolecular Chemistry","2009","7","18","3748","3756","10.1039/b905148a","","","0.71073","MoKα","","0.0488","0.045","","","0.1069","0.1087","","","","","","1.001","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150691","13.673","0.005","14.213","0.005","20.031","0.005","73.329","0.005","89.059","0.005","62.217","0.005","3267.5","1.9","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H52 Cl13 N2 O6 P -","- C66 H52 Cl13 N2 O6 P -","- C132 H104 Cl26 N4 O12 P2 -","2","1","","Bouit, Pierre-Antoine; Aronica, Christophe; Guy, Laure; Martinez, Alexandre; Andraud, Chantal; Maury, Olivier","Diastereoselective supramolecular ion-pairing between the TRISPHAT anion and pro-chiral heptamethine cyanine dyes","Organic & Biomolecular Chemistry","2009","7","15","3086","","10.1039/b905366b","","","0.71069","MoKα","","0.1199","0.0509","","0.1334","0.05","0.05","","","","","","1.1038","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150692","10.3756","0.0006","12.6325","0.0007","16.2827","0.0009","90","","105.358","0.001","90","","2058","0.2","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 N4 O6 -","- C20 H26 N4 O6 -","- C80 H104 N16 O24 -","4","1","","Hsieh, Ming-Tsang; Liu, Hsing-Jang; Ly, Tai Wei; Shia, Kak-Shan","A concise total synthesis of (±)-acutifolone A","Organic & Biomolecular Chemistry","2009","7","16","3285","3290","10.1039/b905910e","","","0.71073","MoKα","","0.0456","0.0335","","","0.0862","0.0888","","","","","","0.984","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150693","15.4787","0.0005","23.2471","0.0006","31.7802","0.0009","90","","90","","90","","11435.6","0.6","123","","123","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H64 N4 O10 S2 -","- C64 H64 N4 O10 S2 -","- C512 H512 N32 O80 S16 -","8","1","","Gabutti, Sandro; Schaffner, Silvia; Neuburger, Markus; Fischer, Matthias; Schäfer, Gabriel; Mayor, Marcel","Planar chiral asymmetric naphthalenediimide cyclophanes: synthesis, characterization and tunable FRET properties","Organic & Biomolecular Chemistry","2009","7","16","3222","3229","10.1039/b905945h","","","0.71073","MoKα","","0.0943","0.0749","","0.1278","0.0697","0.0661","","","","","","1.0525","","","","has coordinates","180292","2020-10-21","18:00:00",""
"7150694","9.9888","0.001","10.6897","0.001","13.5774","0.0013","85.729","0.006","68.552","0.005","71.738","0.005","1280.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H35 N O6 -","- C27 H35 N O6 -","- C54 H70 N2 O12 -","2","1","","Bedford, Robin B.; Haddow, Mairi F.; Webster, Ruth L.; Mitchell, Charlotte J.","The catalytic ortho-arylation of tyrosine","Organic & Biomolecular Chemistry","2009","7","15","3119","","10.1039/b906119c","","","0.71073","MoKα","","0.0595","0.0404","","","0.0958","0.1054","","","","","","0.979","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150695","9.4191","0.0011","20.304","0.003","15.4161","0.0018","90","","97.671","0.002","90","","2921.9","0.6","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","[dicyclohexyl[11-(2,6-dimethoxyphenyl)tricyclo [8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl]phosphine oxide","","- C36 H45 O3 P -","- C36 H45 O3 P -","- C144 H180 O12 P4 -","4","1","","Ruan, Jiwu; Shearer, Lee; Mo, Jun; Bacsa, John; Zanotti-Gerosa, Antonio; Hancock, Fred; Wu, Xiaofeng; Xiao, Jianliang","[2.2]Paracyclophane-based monophosphine ligand for palladium-catalyzed cross-coupling reactions of aryl chlorides","Organic & Biomolecular Chemistry","2009","7","16","3236","3242","10.1039/b906139h","","","0.71073","","","0.0595","0.0441","","","0.1088","0.1161","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150696","6.1387","0.0007","11.0076","0.0013","10.776","0.0013","90","","103.653","0.002","90","","707.58","0.14","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O2 -","- C17 H18 O2 -","- C34 H36 O4 -","2","1","","Hong, Bor-Cherng; Nimje, Roshan Y.; Liao, Ju-Hsiou","Enantioselective synthesis of highly functionalized octahydro-6-oxo-1-phenylnaphthalene-2-carbaldehydes via organocatalytic domino reactions","Organic & Biomolecular Chemistry","2009","7","15","3095","","10.1039/b906205j","","","0.71073","MoKα","","0.0473","0.0435","","","0.1224","0.1266","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150697","18.564","0.001","18.564","0.001","10.127","0.001","90","","90","","120","","3022.4","0.4","293","2","293","2","","","","","","","","5","P 31","P 31","144","","","","- C42 H44 I N O6 -","- C42 H44 I N O6 -","- C126 H132 I3 N3 O18 -","3","1","","Pescatori, Luca; Arduini, Arturo; Pochini, Andrea; Secchi, Andrea; Massera, Chiara; Ugozzoli, Franco","Monotopic and heteroditopic calix[4]arene receptors as hosts for pyridinium and viologen ion pairs: a solution and solid-state study","Organic & Biomolecular Chemistry","2009","7","18","3698","3708","10.1039/b906409e","","","1.54178","CuKα","","0.0924","0.0584","","","0.1535","0.1719","","","","","","0.925","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150698","11.284","0.005","14.758","0.005","29.067","0.005","90","","91.04","0.02","90","","4840","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C110 H116 N6 O16 S2 -","- C110 H112 N6 O16 S2 -","- C220 H224 N12 O32 S4 -","2","1","","Pescatori, Luca; Arduini, Arturo; Pochini, Andrea; Secchi, Andrea; Massera, Chiara; Ugozzoli, Franco","Monotopic and heteroditopic calix[4]arene receptors as hosts for pyridinium and viologen ion pairs: a solution and solid-state study","Organic & Biomolecular Chemistry","2009","7","18","3698","3708","10.1039/b906409e","","","1.54178","CuKα","","0.1832","0.0727","","","0.2062","0.2254","","","","","","0.951","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150699","13.209","0.001","7.494","0.001","25.505","0.005","90","","91.45","0.01","90","","2523.9","0.6","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","dioxaspiro(bicyclo(3.2.1)octane-2,2'-oxolane) derivative 1","dioxaspiro[bicyclo[3.2.1]octane-2,2'-oxolane] derivative 1","","- C27 H42 O7 -","- C27 H42 O7 -","- C108 H168 O28 -","4","1","","Piccialli, Vincenzo; Oliviero, Giorgia; Borbone, Nicola; Tuzi, Angela; Centore, Roberto; Hemminki, Akseli; Ugolini, Matteo; Cerullo, Vincenzo","Discovery of a new PCC-mediated stereoselective oxidative spiroketalization process. An access to a new type of poly-THF spiroketal compound displaying anticancer activity","Organic & Biomolecular Chemistry","2009","7","15","3036","","10.1039/b906872d","","x-ray","0.71073","MoKα","","0.2249","0.0575","","","","0.2048","","","","","","0.959","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150700","15.162","0.004","8.489","0.009","24.593","0.004","90","","111.634","0.009","90","","2942","3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","dioxaspiro(bicyclo(3.2.1)octane-2,2'-oxolane) derivative 2","dioxaspiro[bicyclo[3.2.1]octane-2,2'-oxolane] derivative 2","","- C30 H50 O7 -","- C30 H50 O7 -","- C120 H200 O28 -","4","1","","Piccialli, Vincenzo; Oliviero, Giorgia; Borbone, Nicola; Tuzi, Angela; Centore, Roberto; Hemminki, Akseli; Ugolini, Matteo; Cerullo, Vincenzo","Discovery of a new PCC-mediated stereoselective oxidative spiroketalization process. An access to a new type of poly-THF spiroketal compound displaying anticancer activity","Organic & Biomolecular Chemistry","2009","7","15","3036","","10.1039/b906872d","","x-ray","0.71073","MoKα","","0.2423","0.0687","","","","0.2574","","","","","","1.013","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150701","9.725","0.0011","6.479","0.0007","20.325","0.002","90","","90","","90","","1280.6","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","quinolizidine","","","- C12 H21 N O3 -","- C12 H21 N O3 -","- C48 H84 N4 O12 -","4","1","","Pandey, Ganesh; Grahacharya, Debasish; Shashidhara, K. S.; Khan, M. Islam; Puranik, Vedavati G.","Synthesis of polyfunctional quinolizidine alkaloids: development towards selective glycosidase inhibitors","Organic & Biomolecular Chemistry","2009","7","16","3300","3307","10.1039/b907007a","","","0.71073","MoKα","","0.1121","0.048","","","0.0864","0.1055","","","","","","0.965","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150702","5.3743","0.0004","10.2506","0.0007","24.3106","0.0017","90","","90","","90","","1339.27","0.16","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","quinolizidine","","","- C13 H23 N O4 -","- C13 H23 N O4 -","- C52 H92 N4 O16 -","4","1","","Pandey, Ganesh; Grahacharya, Debasish; Shashidhara, K. S.; Khan, M. Islam; Puranik, Vedavati G.","Synthesis of polyfunctional quinolizidine alkaloids: development towards selective glycosidase inhibitors","Organic & Biomolecular Chemistry","2009","7","16","3300","3307","10.1039/b907007a","","","0.71073","MoKα","","0.0435","0.0358","","","0.0823","0.0856","","","","","","1.068","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150703","7.814","0.0005","14.5374","0.0008","16.0994","0.001","90","","90","","90","","1828.82","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H28 N4 O7 -","- C14 H24 N4 O7 -","- C56 H96 N16 O28 -","4","1","","Fernández-Tejada, Alberto; Corzana, Francisco; Busto, Jesús H.; Avenoza, Alberto; Peregrina, Jesús M.","Stabilizing unusual conformations in small peptides and glucopeptides using a hydroxylated cyclobutane amino acid","Organic & Biomolecular Chemistry","2009","7","14","2885","2893","10.1039/b907091p","","","0.71073","MoKα","","0.1125","0.0652","","","0.149","0.1761","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150704","5.1252","0.0001","19.681","0.0002","9.804","0.0001","90","","96.1731","0.0006","90","","983.19","0.02","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(Phenylacetyl)-4-[(2S)-1-(phenylacetyl)-2-pyrrolidinyl]-2,3-dihydro-1H-pyrrole","","- C24 H26 N2 O2 -","- C24 H26 N2 O2 -","- C48 H52 N4 O4 -","2","1","","King, Frank D.; Aliev, Abil E.; Caddick, Stephen; Copley, Royston C. B.","An investigation into the electrophilic cyclisation of N-acyl-pyrrolidinium ions: a facile synthesis of pyrrolo-tetrahydroisoquinolones and pyrrolo-benzazepinones","Organic & Biomolecular Chemistry","2009","7","17","3561","3571","10.1039/b907400g","","","1.54178","CuKα","","0.0309","0.0304","","","0.0813","0.0818","","","","","","1.06","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150705","5.1252","0.001","17.913","0.004","23.305","0.005","90","","90","","90","","2139.6","0.8","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","11d","","","- C25 H25 N5 O -","- C25 H25 N5 O -","- C100 H100 N20 O4 -","4","1","","Ghiviriga, Ion; El-Gendy, Bahaa El-Dien M.; Steel, Peter J.; Katritzky, Alan R.","Tautomerism of guanidines studied by 15N NMR: 2-hydrazono-3-phenylquinazolin-4(3H)-ones and related compounds","Organic & Biomolecular Chemistry","2009","7","19","4110","4119","10.1039/b907577a","","","0.71073","MoKα","","0.0328","0.0313","","","0.0814","0.0827","","","","","","1.082","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150706","10.964","0.0002","15.22","0.0003","8.8822","0.0002","90","","91.581","0.002","90","","1481.63","0.05","120","2","120","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","O-(p-chlorobenzoyl)-2-oxo-2-seleno-5,5-dimethyl-1,3,2- dioxaphosphorinan","O-(p-chlorobenzoyl)-2-oxo-2-seleno-5,5-dimethyl-1,3,2-dioxaphosphorinan","","- C12 H14 Cl O4 P Se -","- C12 H14 Cl O4 P Se -","- C48 H56 Cl4 O16 P4 Se4 -","4","1","","Cholewinski, Grzegorz; Chojnacki, Jaroslaw; Pikies, Jerzy; Rachon, Janusz","Synthesis and structural investigation of N-acyl selenophosphoramides","Organic & Biomolecular Chemistry","2009","7","19","4095","4100","10.1039/b907641g","","x-ray","0.71073","MoKα","","0.0364","0.0289","","","0.0751","0.0773","","","","","","1.104","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150707","8.6686","0.0003","14.9809","0.0004","12.4583","0.0004","90","","107.683","0.004","90","","1541.44","0.09","298","2","298","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","O-(p-metoxybenzoyl)-2-oxo-2-seleno-5,5-dimethyl-1,3,2- dioxaphosphorinan","O-(p-metoxybenzoyl)-2-oxo-2-seleno-5,5-dimethyl-1,3,2-dioxaphosphorinan","","- C13 H17 O5 P Se -","- C13 H17 O5 P Se -","- C52 H68 O20 P4 Se4 -","4","1","","Cholewinski, Grzegorz; Chojnacki, Jaroslaw; Pikies, Jerzy; Rachon, Janusz","Synthesis and structural investigation of N-acyl selenophosphoramides","Organic & Biomolecular Chemistry","2009","7","19","4095","4100","10.1039/b907641g","","x-ray","0.71073","MoKα","","0.0758","0.0414","","","0.0883","0.1081","","","","","","0.974","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150708","16.4014","0.001","7.6161","0.0003","12.2729","0.0006","90","","103.358","0.006","90","","1491.59","0.14","120","2","120","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","O-(p-nitrobenzoyl)-2-oxo-2-seleno-5,5-dimethyl-1,3,2- dioxaphosphorinan","O-(p-nitrobenzoyl)-2-oxo-2-seleno-5,5-dimethyl-1,3,2-dioxaphosphorinan","","- C12 H14 N O6 P Se -","- C12 H14 N O6 P Se -","- C48 H56 N4 O24 P4 Se4 -","4","1","","Cholewinski, Grzegorz; Chojnacki, Jaroslaw; Pikies, Jerzy; Rachon, Janusz","Synthesis and structural investigation of N-acyl selenophosphoramides","Organic & Biomolecular Chemistry","2009","7","19","4095","4100","10.1039/b907641g","","x-ray","0.71073","MoKα","","0.0745","0.0533","","","0.1438","0.1524","","","","","","1.089","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150709","11.9308","0.0007","15.4868","0.0009","8.2832","0.0004","90","","91.617","0.005","90","","1529.88","0.15","295","2","295","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","N-(p-chlorobenzoyl)-2-amino-2-seleno-5,5-dimethyl-1,3,2- dioxaphosphorinan","N-(p-chlorobenzoyl)-2-amino-2-seleno-5,5-dimethyl-1,3,2-dioxaphosphorinan","","- C12 H15 Cl N O3 P Se -","- C12 H15 Cl N O3 P Se -","- C48 H60 Cl4 N4 O12 P4 Se4 -","4","1","","Cholewinski, Grzegorz; Chojnacki, Jaroslaw; Pikies, Jerzy; Rachon, Janusz","Synthesis and structural investigation of N-acyl selenophosphoramides","Organic & Biomolecular Chemistry","2009","7","19","4095","4100","10.1039/b907641g","","x-ray","0.71073","MoKα","","0.0926","0.0429","","","0.0944","0.1169","","","","","","0.817","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150710","9.9981","0.0002","27.8966","0.0005","10.6258","0.0003","90","","109.816","0.003","90","","2788.18","0.12","120","2","120","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","N-pivaloyl-2-amino-2-seleno-5,5-dimethyl-1,3,2- dioxaphosphorinan","N-pivaloyl-2-amino-2-seleno-5,5-dimethyl-1,3,2-dioxaphosphorinan","","- C10 H20 N O3 P Se -","- C10 H20 N O3 P Se -","- C80 H160 N8 O24 P8 Se8 -","8","2","","Cholewinski, Grzegorz; Chojnacki, Jaroslaw; Pikies, Jerzy; Rachon, Janusz","Synthesis and structural investigation of N-acyl selenophosphoramides","Organic & Biomolecular Chemistry","2009","7","19","4095","4100","10.1039/b907641g","","x-ray","0.71073","MoKα","","0.0486","0.0361","","","0.0943","0.0982","","","","","","1.053","","","","has coordinates,has disorder","301861","2025-08-22","11:11:47",""
"7150711","7.7108","0.0002","10.9466","0.0003","10.9955","0.0003","90","","103.13","0.003","90","","903.83","0.04","120","2","120","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","2-amino-2-seleno-5,5-dimethyl-1,3,2-dioxaphosphorinan","2-amino-2-seleno-5,5-dimethyl-1,3,2-dioxaphosphorinan","","- C5 H12 N O2 P Se -","- C5 H12 N O2 P Se -","- C20 H48 N4 O8 P4 Se4 -","4","1","","Cholewinski, Grzegorz; Chojnacki, Jaroslaw; Pikies, Jerzy; Rachon, Janusz","Synthesis and structural investigation of N-acyl selenophosphoramides","Organic & Biomolecular Chemistry","2009","7","19","4095","4100","10.1039/b907641g","","x-ray","0.71073","MoKα","","0.0291","0.0256","","","0.0648","0.0668","","","","","","1.103","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150712","6.0167","0.0005","10.2379","0.0009","22.355","0.002","90","","90","","90","","1377","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","07113a","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Lu, Ting; Hayashi, Ryuji; Hsung, Richard P.; DeKorver, Kyle A.; Lohse, Andrew G.; Song, Zhenlei; Tang, Yu","Synthesis of amido-spiro[2.2]pentanes via Simmons–Smith cyclopropanation of allenamides","Organic & Biomolecular Chemistry","2009","7","16","3331","3337","10.1039/b908205k","","","0.71073","MoKα","","0.046","0.0329","","","0.0761","0.0803","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150713","30.294","0.008","6.4077","0.0017","7.0525","0.0019","90","","100.238","0.004","90","","1347.2","0.6","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","07114a","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Lu, Ting; Hayashi, Ryuji; Hsung, Richard P.; DeKorver, Kyle A.; Lohse, Andrew G.; Song, Zhenlei; Tang, Yu","Synthesis of amido-spiro[2.2]pentanes via Simmons–Smith cyclopropanation of allenamides","Organic & Biomolecular Chemistry","2009","7","16","3331","3337","10.1039/b908205k","","","0.71073","MoKα","","0.0553","0.0394","","","0.0868","0.0922","","","","","","1.055","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150714","6.2295","0.0004","11.8164","0.0007","12.8744","0.0008","84.547","0.001","86.582","0.001","76.412","0.001","916.31","0.1","173","2","173","2","","","","","","","","4","P 1","P 1","1","08084","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C42 H45 N3 O6 -","3","3","","Lu, Ting; Hayashi, Ryuji; Hsung, Richard P.; DeKorver, Kyle A.; Lohse, Andrew G.; Song, Zhenlei; Tang, Yu","Synthesis of amido-spiro[2.2]pentanes via Simmons–Smith cyclopropanation of allenamides","Organic & Biomolecular Chemistry","2009","7","16","3331","3337","10.1039/b908205k","","","0.71073","MoKα","","0.0424","0.032","","","0.0732","0.0793","","","","","","1.038","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150715","6.4331","0.0018","11.657","0.003","15.86","0.004","90","","90","","90","","1189.4","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","08086t","","","- C14 H15 N O2 -","- C14 H15 N O2 -","- C56 H60 N4 O8 -","4","1","","Lu, Ting; Hayashi, Ryuji; Hsung, Richard P.; DeKorver, Kyle A.; Lohse, Andrew G.; Song, Zhenlei; Tang, Yu","Synthesis of amido-spiro[2.2]pentanes via Simmons–Smith cyclopropanation of allenamides","Organic & Biomolecular Chemistry","2009","7","16","3331","3337","10.1039/b908205k","","","0.71073","MoKα","","0.0416","0.0329","","","0.0756","0.0815","","","","","","1.036","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150716","10.3033","0.0013","10.2448","0.0013","15.332","0.002","90","","95.088","0.002","90","","1612","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","09032a","","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C80 H76 N4 O8 -","4","1","","Lu, Ting; Hayashi, Ryuji; Hsung, Richard P.; DeKorver, Kyle A.; Lohse, Andrew G.; Song, Zhenlei; Tang, Yu","Synthesis of amido-spiro[2.2]pentanes via Simmons–Smith cyclopropanation of allenamides","Organic & Biomolecular Chemistry","2009","7","16","3331","3337","10.1039/b908205k","","","0.71073","MoKα","","0.0584","0.0415","","","0.1043","0.1178","","","","","","1.031","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150717","6.2307","0.0011","16.094","0.003","8.0544","0.0015","90","","96.906","0.002","90","","801.8","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","09058a","","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C36 H46 N2 O4 -","2","1","","Lu, Ting; Hayashi, Ryuji; Hsung, Richard P.; DeKorver, Kyle A.; Lohse, Andrew G.; Song, Zhenlei; Tang, Yu","Synthesis of amido-spiro[2.2]pentanes via Simmons–Smith cyclopropanation of allenamides","Organic & Biomolecular Chemistry","2009","7","16","3331","3337","10.1039/b908205k","","","0.71073","MoKα","","0.0425","0.0342","","","0.0811","0.0861","","","","","","1.065","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150718","11.093","0.0005","13.4335","0.0005","14.472","0.0006","90","","90","","90","","2156.59","0.15","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C27 H21 Cl O3 -","- C27 H21 Cl O3 -","- C108 H84 Cl4 O12 -","4","1","","Zhang, Xiaoxiang; Rao, Weidong; Chan, Sally; Chan, Philip Wai Hong","Iron(III) chloride-catalysed direct nucleophilic α-substitution of Morita-Baylis-Hillman alcohols with alcohols, arenes, 1,3-dicarbonyl compounds, and thiols","Organic & Biomolecular Chemistry","2009","7","20","4186","","10.1039/b908447a","","","0.71073","MoKα","","0.0424","0.0351","","","0.0917","0.1006","","","","","","1.073","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150719","8.5087","0.0004","10.7041","0.0005","10.9088","0.0005","112.218","0.003","93.624","0.003","107.362","0.003","860.27","0.08","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 O2 -","- C21 H22 O2 -","- C42 H44 O4 -","2","1","","Zhang, Xiaoxiang; Rao, Weidong; Chan, Sally; Chan, Philip Wai Hong","Iron(III) chloride-catalysed direct nucleophilic α-substitution of Morita-Baylis-Hillman alcohols with alcohols, arenes, 1,3-dicarbonyl compounds, and thiols","Organic & Biomolecular Chemistry","2009","7","20","4186","","10.1039/b908447a","","","0.71073","MoKα","","0.0848","0.0512","","","0.1295","0.1569","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150720","9.4492","0.0004","16.4318","0.0008","16.9333","0.0007","90","","96.75","0.003","90","","2611","0.2","223","","","","","","","","","","Diederich laboratory","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H35 F2 N O2 -","- C30 H35 F2 N O2 -","- C120 H140 F8 N4 O8 -","4","1","","Fäh, Christoph; Hardegger, Leo A.; Baitsch, Lukas; Schweizer, W. Bernd; Meyer, Solange; Bur, Daniel; Diederich, François","New organofluorine building blocks: inhibition of the malarial aspartic proteases plasmepsin II and IV by alicyclic α,α-difluoroketone hydrates","Organic & Biomolecular Chemistry","2009","7","19","3947","3957","10.1039/b908489d","","","0.71073","MoKα","","0.1894","0.1624","","","0.4312","0.4509","","","","","","3.136","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150721","15.0801","0.0005","18.6531","0.0007","19.704","0.0006","90","","90","","90","","5542.6","0.3","233","","","","","","","","","","Diederich laboratory","5","P n 21 a","P -2ac -2n","33","","","","- C30 H35 F2 N O3 -","- C30 H35 F2 N O3 -","- C240 H280 F16 N8 O24 -","8","2","","Fäh, Christoph; Hardegger, Leo A.; Baitsch, Lukas; Schweizer, W. Bernd; Meyer, Solange; Bur, Daniel; Diederich, François","New organofluorine building blocks: inhibition of the malarial aspartic proteases plasmepsin II and IV by alicyclic α,α-difluoroketone hydrates","Organic & Biomolecular Chemistry","2009","7","19","3947","3957","10.1039/b908489d","","","0.71073","MoKα","","0.1113","0.0824","","","0.2026","0.2229","","","","","","1.373","","","","has coordinates,has disorder","301861","2025-08-22","11:11:47",""
"7150722","7.67","0.0001","14.837","0.0003","20.519","0.0003","90","","90","","90","","2335.06","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Compound 4d","","","- C25 H28 N2 O6 -","- C25 H28 N2 O6 -","- C100 H112 N8 O24 -","4","1","","Cheeseman, Matt; Davies, Iwan R.; Axe, Phil; Johnson, Andrew L.; Bull, Steven D.","A temporary stereocentre approach for the asymmetric synthesis of chiral cyclopropane-carboxaldehydes","Organic & Biomolecular Chemistry","2009","7","17","3537","3548","10.1039/b908600e","","","0.71073","MoKα","","0.0589","0.0406","","","0.0918","0.0998","","","","","","1.027","","","","has coordinates","301861","2025-08-22","11:11:47",""
"7150723","15.9483","0.0004","19.0501","0.0005","37.5597","0.001","93.08","0.002","98.429","0.002","105.306","0.002","10836.4","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C196 H270 Cl16 N16 O25 S9 -","- C196 H270 Cl16 N16 O25 S9 -","- C392 H540 Cl32 N32 O50 S18 -","2","1","","Meshcheryakov, Denys; Bolte, Michael; Böhmer, Volker","Macrocyclic oligoureas with xanthene and diphenyl ether units","Organic & Biomolecular Chemistry","2009","7","21","4386","4390","10.1039/b909453a","","","0.71073","MoKα","","0.172","0.1395","","","0.3821","0.4089","","","","","","1.575","","","","has coordinates,has disorder","180293","2020-10-21","18:00:00",""
"7150724","11.5704","0.0008","14.5997","0.001","12.5793","0.0009","90","","95.664","0.001","90","","2114.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N4 O3 -","- C26 H24 N4 O3 -","- C104 H96 N16 O12 -","4","1","","Sivappa, Rasapalli; Mukherjee, Sabuj; Dias, H. V. Rasika; Lovely, Carl J.","Studies toward the total synthesis of the oroidin dimers","Organic & Biomolecular Chemistry","2009","7","16","3215","3218","10.1039/b909482b","","","0.71073","MoKα","","0.0448","0.0388","","","0.1009","0.1066","","","","","","1.054","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150725","10.6504","0.0012","19.3","0.002","11.4094","0.0013","90","","115.389","0.002","90","","2118.7","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N5 O5 S -","- C21 H23 N5 O5 S -","- C84 H92 N20 O20 S4 -","4","1","","Sivappa, Rasapalli; Mukherjee, Sabuj; Dias, H. V. Rasika; Lovely, Carl J.","Studies toward the total synthesis of the oroidin dimers","Organic & Biomolecular Chemistry","2009","7","16","3215","3218","10.1039/b909482b","","","0.71073","MoKα","","0.0628","0.0508","","","0.138","0.1468","","","","","","1.066","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150726","16.2859","0.0002","18.576","0.0004","17.0941","0.0003","90","","107.105","0.0008","90","","4942.68","0.15","103","2","103","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C49 H65 F3 O16 -","- C49 H65 F3 O16 -","- C196 H260 F12 O64 -","4","1","","Tanima, Daisuke; Imamura, Yoko; Kawabata, Takeo; Tsubaki, Kazunori","Development of highly sensitive and selective molecules for detection of spermidine and spermine","Organic & Biomolecular Chemistry","2009","7","22","4689","4694","10.1039/b909682e","","","0.71069","MoKα","","0.0564","0.0475","","","0.1121","0.1186","","","","","","1.061","","","","has coordinates,has disorder","301861","2025-08-22","11:11:48",""
"7150727","6.0491","0.0004","8.3323","0.0005","34.349","0.003","90","","90","","90","","1731.3","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(3S, 5clambda, 8S)-3,8-Dibenzyl-1,6-dioxa-4,9-diaza-5clambda5- phosphaspiro (4.4)-nonane-2,7-dione","(3S, 5Λ, 8S)-3,8-Dibenzyl-1,6-dioxa-4,9-diaza-5Λ5-phosphaspiro [4.4]-nonane-2,7-dione","","- C18 H19 N2 O4 P -","- C18 H19 N2 O4 P -","- C72 H76 N8 O16 P4 -","4","1","","Hou, Jian-Bo; Zhang, Hui; Guo, Jian-Nan; Liu, Yan; Xu, Peng-Xiang; Zhao, Yu-Fen; Blackburn, G. Michael","Chirality at phosphorus in pentacoordinate spirophosphoranes: stereochemistry by X-ray structure and spectroscopic analysis","Organic & Biomolecular Chemistry","2009","7","15","3020","","10.1039/b909786d","","","0.71073","MoKα","","0.0698","0.0411","","","0.0629","0.0696","","","","","","0.892","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150728","6.0474","0.0002","8.329","0.0003","34.27","0.002","90","","90","","90","","1726.14","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(3R, 5cdelta, 8R)-3,8-Dibenzyl-1,6-dioxa-4,9-diaza-5clambda5- phosphaspiro (4.4)-nonane-2,7-dione","(3R, 5Δ, 8R)-3,8-Dibenzyl-1,6-dioxa-4,9-diaza-5Λ5-phosphaspiro [4.4]-nonane-2,7-dione","","- C18 H19 N2 O4 P -","- C18 H19 N2 O4 P -","- C72 H76 N8 O16 P4 -","4","1","","Hou, Jian-Bo; Zhang, Hui; Guo, Jian-Nan; Liu, Yan; Xu, Peng-Xiang; Zhao, Yu-Fen; Blackburn, G. Michael","Chirality at phosphorus in pentacoordinate spirophosphoranes: stereochemistry by X-ray structure and spectroscopic analysis","Organic & Biomolecular Chemistry","2009","7","15","3020","","10.1039/b909786d","","","0.71073","MoKα","","0.0675","0.0625","","","0.1442","0.1457","","","","","","1.243","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150729","8.9756","0.0005","17.3489","0.001","12.2509","0.0007","90","","94.036","0.002","90","","1902.94","0.19","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H50 N2 O13 S -","- C36 H50 N2 O13 S -","- C72 H100 N4 O26 S2 -","2","1","","Bragnier, Nicolas; Guillot, Regis; Scherrmann, Marie-Christine","Diastereoselective addition of sugar radicals to camphorsultam glyoxilic oxime ether: a route toward C-glycosylthreonine and allothreonine","Organic & Biomolecular Chemistry","2009","7","19","3918","3921","10.1039/b910050d","","x-ray","0.71073","MoKα","","0.0386","0.0339","","","0.0857","0.0882","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150730","7.4542","0.0015","23.187","0.005","23.706","0.005","90","","90","","90","","4097.4","1.5","100","1","100","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H52 Cl2 N2 O13 S -","- C37 H52 Cl2 N2 O13 S -","- C148 H208 Cl8 N8 O52 S4 -","4","1","","Bragnier, Nicolas; Guillot, Regis; Scherrmann, Marie-Christine","Diastereoselective addition of sugar radicals to camphorsultam glyoxilic oxime ether: a route toward C-glycosylthreonine and allothreonine","Organic & Biomolecular Chemistry","2009","7","19","3918","3921","10.1039/b910050d","","x-ray","0.71073","MoKα","","0.0927","0.0754","","","0.1899","0.1988","","","","","","1.097","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150731","12.629","0.005","14.954","0.005","20.739","0.005","90","","90","","90","","3917","2","100","1","100","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H50 N2 O13 S -","- C36 H50 N2 O13 S -","- C144 H200 N8 O52 S4 -","4","1","","Bragnier, Nicolas; Guillot, Regis; Scherrmann, Marie-Christine","Diastereoselective addition of sugar radicals to camphorsultam glyoxilic oxime ether: a route toward C-glycosylthreonine and allothreonine","Organic & Biomolecular Chemistry","2009","7","19","3918","3921","10.1039/b910050d","","x-ray","0.71069","MoKα","","0.0687","0.0459","","","0.1106","0.1178","","","","","","1.057","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150732","9.9034","0.0012","10.2924","0.0013","20.413","0.002","90","","90","","90","","2080.7","0.4","100","1","100","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 O11 -","- C18 H26 O11 -","- C72 H104 O44 -","4","1","","Bragnier, Nicolas; Guillot, Regis; Scherrmann, Marie-Christine","Diastereoselective addition of sugar radicals to camphorsultam glyoxilic oxime ether: a route toward C-glycosylthreonine and allothreonine","Organic & Biomolecular Chemistry","2009","7","19","3918","3921","10.1039/b910050d","","x-ray","0.71073","MoKα","","0.0737","0.0481","","","0.1193","0.1321","","","","","","1.025","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150733","9.825","0.004","10.199","0.004","10.461","0.004","62","0.03","73.41","0.04","83.8","0.04","886.6","0.7","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H11 N3 O -","- C8 H11 N3 O -","- C32 H44 N12 O4 -","4","2","","Wei, Siping; Liu, Bo; Zhao, Dongbing; Wang, Zhen; Wu, Jie; Lan, Jingbo; You, Jingsong","Pyrido[1,2-c][1,2,4]triazol-3-ylidene: reactivity and its application in organocatalysis and organometallic catalysis","Organic & Biomolecular Chemistry","2009","7","20","4241","4247","10.1039/b910073c","","","0.71073","MoKα","","0.1664","0.0472","","","0.0948","0.1155","","","","","","0.962","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150734","5.329","0.003","9.235","0.002","14.718","0.004","90","","93.53","0.03","90","","722.9","0.5","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 N3 -","- C7 H9 N3 -","- C28 H36 N12 -","4","1","","Wei, Siping; Liu, Bo; Zhao, Dongbing; Wang, Zhen; Wu, Jie; Lan, Jingbo; You, Jingsong","Pyrido[1,2-c][1,2,4]triazol-3-ylidene: reactivity and its application in organocatalysis and organometallic catalysis","Organic & Biomolecular Chemistry","2009","7","20","4241","4247","10.1039/b910073c","","","0.71073","MoKα","","0.2079","0.0612","","","0.1346","0.1692","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150735","13.5774","0.0004","7.9769","0.0002","22.4305","0.0006","90","","106.67","0.003","90","","2327.25","0.12","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N4 -","- C12 H14 N4 -","- C96 H112 N32 -","8","2","","Wei, Siping; Liu, Bo; Zhao, Dongbing; Wang, Zhen; Wu, Jie; Lan, Jingbo; You, Jingsong","Pyrido[1,2-c][1,2,4]triazol-3-ylidene: reactivity and its application in organocatalysis and organometallic catalysis","Organic & Biomolecular Chemistry","2009","7","20","4241","4247","10.1039/b910073c","","x-ray","1.54184","CuKα","","0.0405","0.0349","","","0.1187","0.1229","","","","","","1.033","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150736","14.2321","0.0013","13.8619","0.0013","11.2976","0.0011","90","","105.46","0.002","90","","2148.2","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N O3 -","- C26 H25 N O3 -","- C104 H100 N4 O12 -","4","1","","Ramachary, Dhevalapally B.; Narayana, Vidadala V.; Prasad, M. Shiva; Ramakumar, Kinthada","High-yielding synthesis of Nefopam analogues (functionalized benzoxazocines) by sequential one-pot cascade operations","Organic & Biomolecular Chemistry","2009","7","17","3372","3378","10.1039/b910397j","","","0.71073","MoKα","","0.1082","0.0784","","","0.1521","0.1655","","","","","","1.121","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150737","12.9791","0.0007","15.0018","0.0008","13.9935","0.0008","90","","91.827","0.001","90","","2723.3","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 N2 O5 -","- C32 H30 N2 O5 -","- C128 H120 N8 O20 -","4","1","","Ramachary, Dhevalapally B.; Narayana, Vidadala V.; Prasad, M. Shiva; Ramakumar, Kinthada","High-yielding synthesis of Nefopam analogues (functionalized benzoxazocines) by sequential one-pot cascade operations","Organic & Biomolecular Chemistry","2009","7","17","3372","3378","10.1039/b910397j","","","0.71073","MoKα","","0.0749","0.0473","","","0.1093","0.1228","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150738","16.275","0.0008","5.7027","0.0002","20.1112","0.001","90","","100.273","0.002","90","","1836.63","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N3 O4 -","- C17 H23 N3 O4 -","- C68 H92 N12 O16 -","4","1","","Reviriego, Felipe; Sanz, Ana; Navarro, Pilar; Latorre, Julio; García-España, Enrique; Liu-Gonzalez, Malva","Self-assembly of 3,5-bis(ethoxycarbonyl)pyrazolate anions and ammonium cations of β-phenylethylamine or homoveratrylamine into hetero-double-stranded helical structures","Organic & Biomolecular Chemistry","2009","7","16","3212","3214","10.1039/b911053d","","","0.71073","MoKα","","0.2209","0.0631","","","0.1837","0.3011","","","","","","0.811","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"7150739","13.176","0.0005","5.436","0.0002","29.713","0.001","90","","99.289","0.002","90","","2100.28","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Compound ege4v09","","","- C19 H27 N3 O6 -","- C19 H27 N3 O6 -","- C76 H108 N12 O24 -","4","1","","Reviriego, Felipe; Sanz, Ana; Navarro, Pilar; Latorre, Julio; García-España, Enrique; Liu-Gonzalez, Malva","Self-assembly of 3,5-bis(ethoxycarbonyl)pyrazolate anions and ammonium cations of β-phenylethylamine or homoveratrylamine into hetero-double-stranded helical structures","Organic & Biomolecular Chemistry","2009","7","16","3212","3214","10.1039/b911053d","","","0.71073","MoKα","","0.1286","0.0513","","","0.1399","0.1827","","","","","","0.917","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150740","10.7736","0.0003","14.6309","0.0004","16.0249","0.0006","68.959","0.001","72.573","0.002","83.647","0.002","2249.32","0.13","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H66 O13 -","- C48 H66 O13 -","- C96 H132 O26 -","2","1","","Salorinne, Kirsi; Tero, Tiia-Riikka; Riikonen, Kaisa; Nissinen, Maija","Synthesis and structure of mono-bridged resorcinarene host: a ditopic receptor for ammonium guests","Organic & Biomolecular Chemistry","2009","7","20","4211","4217","10.1039/b911389d","","","1.54178","CuKα","","0.0845","0.0619","","","0.1662","0.1856","","","","","","1.026","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150741","10.8389","0.0001","14.9945","0.0001","16.0372","0.0001","74.018","0.001","70.853","0.001","86.719","0.001","2365.5","0.04","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H70 O13 -","- C50 H70 O13 -","- C100 H140 O26 -","2","1","","Salorinne, Kirsi; Tero, Tiia-Riikka; Riikonen, Kaisa; Nissinen, Maija","Synthesis and structure of mono-bridged resorcinarene host: a ditopic receptor for ammonium guests","Organic & Biomolecular Chemistry","2009","7","20","4211","4217","10.1039/b911389d","","","1.54178","CuKα","","0.0553","0.0461","","","0.1197","0.1273","","","","","","1.037","","","","has coordinates,has disorder","301861","2025-08-22","11:11:48",""
"7150742","10.8272","0.0004","16.307","0.0005","17.0285","0.0008","72.658","0.002","81.115","0.002","70.302","0.003","2697.05","0.19","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H74 N4 O11 -","- C56 H74 N4 O11 -","- C112 H148 N8 O22 -","2","1","","Salorinne, Kirsi; Tero, Tiia-Riikka; Riikonen, Kaisa; Nissinen, Maija","Synthesis and structure of mono-bridged resorcinarene host: a ditopic receptor for ammonium guests","Organic & Biomolecular Chemistry","2009","7","20","4211","4217","10.1039/b911389d","","","1.54178","CuKα","","0.0924","0.0643","","","0.1614","0.1804","","","","","","1.061","","","","has coordinates,has disorder","301861","2025-08-22","11:11:48",""
"7150743","21.098","0.003","23.909","0.003","17.404","0.002","90","","109.994","0.003","90","","8250","1.8","203","2","203","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 F8 N2 O2 S -","- C17 H20 F8 N2 O2 S -","- C272 H320 F128 N32 O32 S16 -","16","2","","Wipf, Peter; Mo, Tingting; Geib, Steven J.; Caridha, Diana; Dow, Geoffrey S.; Gerena, Lucia; Roncal, Norma; Milner, Erin E.","Synthesis and biological evaluation of the first pentafluorosulfanyl analogs of mefloquine","Organic & Biomolecular Chemistry","2009","7","20","4163","4165","10.1039/b911483a","","","0.71073","MoKa","","0.09","0.0551","","","0.1342","0.1508","","","","","","1.006","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150744","9.974","0.0003","8.811","0.0003","12.149","0.0005","90","","108.248","0.001","90","","1013.97","0.06","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N O2 -","- C22 H25 N O2 -","- C44 H50 N2 O4 -","2","1","","Blay, Gonzalo; Cardona, Luz; Fernández, Isabel; Marco-Aleixandre, Alícia; Muñoz, M. Carmen; Pedro, José R.","Catalytic enantioselective addition of terminal alkynes to aromatic aldehydes using zinc-hydroxyamide complexes","Organic & Biomolecular Chemistry","2009","7","20","4301","4308","10.1039/b911592g","","","0.71073","MoKα","","0.1258","0.0683","","","0.1676","0.2119","","","","","","0.999","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150745","11.3908","0.0003","13.6976","0.0004","17.8554","0.0005","91.608","0.002","107.31","0.001","99.132","0.001","2617.64","0.13","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H58 N2 O12 S2 -","- C60 H58 N2 O12 S2 -","- C120 H116 N4 O24 S4 -","2","1","","Gruber, Tobias; Fischer, Conrad; Felsmann, Marika; Seichter, Wilhelm; Weber, Edwin","Calix[4]arenes featuring a direct lower rim attachment of dansyl groups. Synthesis, fluorescence properties and first report on crystal structures","Organic & Biomolecular Chemistry","2009","7","23","4904","4917","10.1039/b911800d","","","0.71073","MoKα","","0.0788","0.0502","","","0.1427","0.1682","","","","","","1.063","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150746","13.2063","0.0009","14.9874","0.001","21.3373","0.0013","81.511","0.004","88.632","0.004","66.27","0.004","3820.9","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H99 N5 O8 S2 -","- C80 H99 N5 O8 S2 -","- C160 H198 N10 O16 S4 -","2","1","","Gruber, Tobias; Fischer, Conrad; Felsmann, Marika; Seichter, Wilhelm; Weber, Edwin","Calix[4]arenes featuring a direct lower rim attachment of dansyl groups. Synthesis, fluorescence properties and first report on crystal structures","Organic & Biomolecular Chemistry","2009","7","23","4904","4917","10.1039/b911800d","","","0.71073","MoKα","","0.1352","0.0776","","","0.2178","0.2667","","","","","","1.044","","","","has coordinates,has disorder","301861","2025-08-22","11:11:48",""
"7150747","18.3771","0.0005","19.9839","0.0005","18.8147","0.0005","90","","97.635","0.002","90","","6848.4","0.3","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C76 H89 N3 O9 S2 -","- C76 H89 N3 O9 S2 -","- C304 H356 N12 O36 S8 -","4","1","","Gruber, Tobias; Fischer, Conrad; Felsmann, Marika; Seichter, Wilhelm; Weber, Edwin","Calix[4]arenes featuring a direct lower rim attachment of dansyl groups. Synthesis, fluorescence properties and first report on crystal structures","Organic & Biomolecular Chemistry","2009","7","23","4904","4917","10.1039/b911800d","","","0.71073","MoKα","","0.0997","0.0575","","","0.1509","0.1869","","","","","","1.026","","","","has coordinates,has disorder","301861","2025-08-22","11:11:48",""
"7150748","14.216","0.004","54.971","0.012","13.678","0.004","90","","109.254","0.007","90","","10091","5","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C80 H105 F24 N4 O19.5 P4 S4 -","- C74 H78 F24 N4 O16 P4 S4 -","- C296 H312 F96 N16 O64 P16 S16 -","4","1","","Olson, Mark A.; Braunschweig, Adam B.; Ikeda, Taichi; Fang, Lei; Trabolsi, Ali; Slawin, Alexandra M. Z.; Khan, Saeed I.; Stoddart, J. Fraser","Thermodynamic forecasting of mechanically interlocked switches","Organic & Biomolecular Chemistry","2009","7","21","4391","4405","10.1039/B911874H","","","1.54178","CuKα","","0.2291","0.1969","","","0.5064","0.5261","","","","","","1.874","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150749","13.8934","0.0009","23.2237","0.0016","13.0531","0.0009","90","","116.262","0.001","90","","3776.9","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C67 H76 F24 N10 O6 P4 -","- C67 H76 F24 N10 O6 P4 -","- C134 H152 F48 N20 O12 P8 -","2","0.5","","Olson, Mark A.; Braunschweig, Adam B.; Ikeda, Taichi; Fang, Lei; Trabolsi, Ali; Slawin, Alexandra M. Z.; Khan, Saeed I.; Stoddart, J. Fraser","Thermodynamic forecasting of mechanically interlocked switches","Organic & Biomolecular Chemistry","2009","7","21","4391","4405","10.1039/B911874H","","","0.71073","MoKα","","0.1083","0.0596","","","0.1323","0.1538","","","","","","1.029","","","","has coordinates,has disorder","180293","2020-10-21","18:00:00",""
"7150750","10.8498","0.0008","19.3989","0.0014","13.8729","0.001","90","","106.576","0.001","90","","2798.5","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46.6 H43.4 F24 N5.8 P4 S4 -","- C46.6 H43.4 F24 N5.8 P4 S4 -","- C93.2 H86.8 F48 N11.6 P8 S8 -","2","0.5","","Olson, Mark A.; Braunschweig, Adam B.; Ikeda, Taichi; Fang, Lei; Trabolsi, Ali; Slawin, Alexandra M. Z.; Khan, Saeed I.; Stoddart, J. Fraser","Thermodynamic forecasting of mechanically interlocked switches","Organic & Biomolecular Chemistry","2009","7","21","4391","4405","10.1039/B911874H","","","0.71073","MoKα","","0.0895","0.0525","","","0.1371","0.1562","","","","","","1.035","","","","has coordinates,has disorder","301861","2025-08-22","11:11:48",""
"7150751","29.701","0.006","8.996","0.002","20.844","0.004","90","","109.53","0.02","90","","5249","2","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Tetrakis(4-(4-phenyl-1,2,3-triazol-1-yl)phenyl)methane","Tetrakis(4-(4-phenyl-1,2,3-triazol-1-yl)phenyl)methane","","- C63 H54 N14 O2 -","- C63 H54 N14 O2 -","- C252 H216 N56 O8 -","4","0.5","","Plietzsch, Oliver; Schilling, Christine Inge; Tolev, Mariyan; Nieger, Martin; Richert, Clemens; Muller, Thierry; Bräse, Stefan","Four-fold click reactions: Generation of tetrahedral methane- and adamantane-based building blocks for higher-order molecular assemblies","Organic & Biomolecular Chemistry","2009","7","22","4734","4743","10.1039/b912189g","","","0.71073","MoKα","","0.1413","0.0846","","","0.197","0.2309","","","","","","1.053","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150752","21.97","0.003","21.97","0.003","6.972","0.001","90","","90","","90","","3365.3","0.8","123","2","123","2","","","","","","","","4","P -4","P -4","81","1,3,5,7-Tetrakis(4-(1-phenyl-1,2,3-triazol-4- yl)phenyl)adamantane","1,3,5,7-Tetrakis(4-(1-phenyl-1,2,3-triazol-4-yl)phenyl)adamantane","","- C70 H56 Cl12 N12 -","- C70 H56 Cl12 N12 -","- C140 H112 Cl24 N24 -","2","0.5","","Plietzsch, Oliver; Schilling, Christine Inge; Tolev, Mariyan; Nieger, Martin; Richert, Clemens; Muller, Thierry; Bräse, Stefan","Four-fold click reactions: Generation of tetrahedral methane- and adamantane-based building blocks for higher-order molecular assemblies","Organic & Biomolecular Chemistry","2009","7","22","4734","4743","10.1039/b912189g","","","0.71073","MoKα","","0.0617","0.0502","","","0.1238","0.1315","","","","","","1.058","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150753","18.728","0.001","7.137","0.001","18.265","0.001","90","","111.37","0.01","90","","2273.5","0.4","123","2","123","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Tetrakis(4-azidophenyl)methane","Tetrakis(4-azidophenyl)methane","","- C25 H16 N12 -","- C25 H16 N12 -","- C100 H64 N48 -","4","0.5","","Plietzsch, Oliver; Schilling, Christine Inge; Tolev, Mariyan; Nieger, Martin; Richert, Clemens; Muller, Thierry; Bräse, Stefan","Four-fold click reactions: Generation of tetrahedral methane- and adamantane-based building blocks for higher-order molecular assemblies","Organic & Biomolecular Chemistry","2009","7","22","4734","4743","10.1039/b912189g","","","0.71073","MoKα","","0.0935","0.051","","","0.1006","0.1161","","","","","","1.013","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150754","11.0349","0.0004","20.653","0.0005","11.1727","0.0005","90","","110.111","0.002","90","","2391.05","0.15","183","2","183","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C45 H53.75 N3.75 O13.75 S5 -","- C30 H20 O10 S5 -","- C60 H40 O20 S10 -","2","0.5","","Ben-Haida, Abderrazak; Colquhoun, Howard M.; Hodge, Philip; Raftery, James; White, Andrew J. P.; Williams, David J.","Macrocyclic aromatic polysulfones and sulfide-sulfones: synthesis and structural characterisation of molecular pentagons and rectangles","Organic & Biomolecular Chemistry","2009","7","24","5229","5235","10.1039/b912193e","","","1.54178","CuKα","","0.0541","0.0457","","","0.1248","0.1296","","","","","","1.068","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150755","9.8261","0.0019","10.809","0.002","20.35","0.004","90","","93.555","0.016","90","","2157.2","0.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H26 Cl8 O9 S4 -","- C36 H24 O8 S4 -","- C72 H48 O16 S8 -","2","0.5","","Ben-Haida, Abderrazak; Colquhoun, Howard M.; Hodge, Philip; Raftery, James; White, Andrew J. P.; Williams, David J.","Macrocyclic aromatic polysulfones and sulfide-sulfones: synthesis and structural characterisation of molecular pentagons and rectangles","Organic & Biomolecular Chemistry","2009","7","24","5229","5235","10.1039/b912193e","","","1.54178","CuKα","","0.0615","0.054","","","0.147","0.1512","","","","","","1.057","","","","has coordinates","180293","2020-10-21","18:00:00",""
"7150756","18.8662","0.0012","12.4037","0.0008","11.9873","0.0008","90","","97.805","0.001","90","","2779.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 O5 S5 -","- C31 H24 O5 S5 -","- C124 H96 O20 S20 -","4","1","","Ben-Haida, Abderrazak; Colquhoun, Howard M.; Hodge, Philip; Raftery, James; White, Andrew J. P.; Williams, David J.","Macrocyclic aromatic polysulfones and sulfide-sulfones: synthesis and structural characterisation of molecular pentagons and rectangles","Organic & Biomolecular Chemistry","2009","7","24","5229","5235","10.1039/b912193e","","","0.71073","MoKα","","0.0725","0.0572","","","0.1748","0.1856","","","","","","1.076","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150757","14.5898","0.0011","23.7421","0.0019","20.4841","0.0007","90","","93.522","0.005","90","","7082.1","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H26 Cl2 O4 S4 -","- C36 H24 O4 S4 -","- C288 H192 O32 S32 -","8","2","","Ben-Haida, Abderrazak; Colquhoun, Howard M.; Hodge, Philip; Raftery, James; White, Andrew J. P.; Williams, David J.","Macrocyclic aromatic polysulfones and sulfide-sulfones: synthesis and structural characterisation of molecular pentagons and rectangles","Organic & Biomolecular Chemistry","2009","7","24","5229","5235","10.1039/b912193e","","","1.54178","CuKα","","0.1126","0.0702","","","0.1937","0.2179","","","","","","1.077","","","","has coordinates,has disorder","180293","2020-10-21","18:00:00",""
"7150758","10.0673","0.001","17.1131","0.0016","21.5403","0.0016","90","","96.428","0.007","90","","3687.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Cl2 O4 S4 -","- C39 H28 O4 S4 -","- C156 H112 O16 S16 -","4","1","","Ben-Haida, Abderrazak; Colquhoun, Howard M.; Hodge, Philip; Raftery, James; White, Andrew J. P.; Williams, David J.","Macrocyclic aromatic polysulfones and sulfide-sulfones: synthesis and structural characterisation of molecular pentagons and rectangles","Organic & Biomolecular Chemistry","2009","7","24","5229","5235","10.1039/b912193e","","","1.54178","CuKα","","0.0927","0.0608","","","0.1519","0.1689","","","","","","0.992","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150759","12.549","0.0005","15.0384","0.0006","19.0959","0.0007","99.51","0.002","99.578","0.002","98.598","0.002","3446.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H109 N6 O27.5 S3 -","- C54 H78 N6 O27.5 S3 -","- C108 H156 N12 O55 S6 -","2","1","","Mateus, Pedro; Delgado, Rita; Brandão, Paula; Carvalho, Sílvia; Félix, Vítor","Selective recognition of tetrahedral dianions by a hexaaza cryptand receptor","Organic & Biomolecular Chemistry","2009","7","22","4661","4673","10.1039/b912940e","","","0.71073","MoKα","","0.1114","0.0761","","","0.2188","0.251","","","","","","1.04","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150760","5.8725","0.0014","10.826","0.003","14.459","0.003","74.694","0.004","88.672","0.004","85.198","0.004","883.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","tert-butyl 3-methyl-6-((((4-nitrophenyl)carbonyl)oxy)methyl)- 1,2-oxazinane-2-carboxylate","tert-butyl 3-methyl-6- ({[(4-nitrophenyl)carbonyl]oxy}methyl)-1,2-oxazinane- 2-carboxylate","","- C18 H22 N2 O7 -","- C18 H22 N2 O7 -","- C36 H44 N4 O14 -","2","1","","Bollans, Lee; Bacsa, John; Iggo, Jonathan A.; Morris, Gareth A.; Stachulski, Andrew V.","The acyl nitroso Diels–Alder (ANDA) reaction of sorbate derivatives: an X-ray and 15N NMR study with an application to amino-acid synthesis","Organic & Biomolecular Chemistry","2009","7","21","4531","4538","10.1039/b912963d","","","0.71073","MoKα","","0.045","0.0386","","","0.1029","0.1056","","","","","","1.096","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150761","5.6187","0.001","17.695","0.003","12.511","0.002","90","","102.957","0.003","90","","1212.2","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2-(6-methyl-2-oxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione","2-(6-methyl-2-oxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione","","- C14 H14 N2 O3 -","- C14 H14 N2 O3 -","- C56 H56 N8 O12 -","4","1","","Bollans, Lee; Bacsa, John; Iggo, Jonathan A.; Morris, Gareth A.; Stachulski, Andrew V.","The acyl nitroso Diels–Alder (ANDA) reaction of sorbate derivatives: an X-ray and 15N NMR study with an application to amino-acid synthesis","Organic & Biomolecular Chemistry","2009","7","21","4531","4538","10.1039/b912963d","","","0.71073","MoKα","","0.0722","0.049","","","0.1015","0.1088","","","","","","1.094","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150762","10.823","0.0018","6.4408","0.0011","25.686","0.004","90","","100.893","0.003","90","","1758.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl N3 O4 -","- C16 H18 Cl N3 O4 -","- C64 H72 Cl4 N12 O16 -","4","1","","Liu, Xu-Guang; Wei, Yin; Shi, Min","The reaction of acyl cyanides with “Huisgen zwitterion”: an interesting rearrangement involving ester group migration between oxygen and nitrogen atoms","Organic & Biomolecular Chemistry","2009","7","22","4708","4714","10.1039/b913196e","","","0.71073","MoKα","","0.0695","0.0457","","","0.1049","0.1144","","","","","","0.95","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150763","7.5749","0.0013","12.355","0.002","12.896","0.002","99.071","0.003","102.604","0.003","106.451","0.003","1098.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H25 N3 O7 -","- C19 H25 N3 O7 -","- C38 H50 N6 O14 -","2","1","","Liu, Xu-Guang; Wei, Yin; Shi, Min","The reaction of acyl cyanides with “Huisgen zwitterion”: an interesting rearrangement involving ester group migration between oxygen and nitrogen atoms","Organic & Biomolecular Chemistry","2009","7","22","4708","4714","10.1039/b913196e","","","0.71073","MoKα","","0.1196","0.0579","","","0.1325","0.1559","","","","","","0.85","","","","has coordinates,has disorder","301861","2025-08-22","11:11:48",""
"7150764","11.839","0.002","10.8146","0.0018","21.529","0.004","90","","99.293","0.002","90","","2720.3","0.8","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Br Cl F4 N3 O4 S -","- C26 H20 Br Cl F4 N3 O4 S -","- C104 H80 Br4 Cl4 F16 N12 O16 S4 -","4","1","","Yu, Xingxin; Yang, Xiaodi; Wu, Jie","Multicatalytic tandem reaction of N′-(2-alkynylbenzylidene)hydrazide with indole","Organic & Biomolecular Chemistry","2009","7","21","4526","4530","10.1039/b913409c","","","0.71073","MoKα","","0.0663","0.041","","","0.1018","0.1151","","","","","","1.015","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150765","10.501","0.001","14.348","0.0014","14.699","0.0014","112.084","0.001","90.477","0.001","104.196","0.001","1977","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","FRB961","","","- C24 H28 O5 -","- C24 H28 O5 -","- C96 H112 O20 -","4","2","","Chantarasriwong, Oraphin; Cho, Woo Cheal; Batova, Ayse; Chavasiri, Warinthorn; Moore, Curtis; Rheingold, Arnold L.; Theodorakis, Emmanuel A.","Evaluation of the pharmacophoric motif of the caged Garcinia xanthones","Organic & Biomolecular Chemistry","2009","7","23","4886","4894","10.1039/b913496d","","","0.71073","MoKα","","0.0583","0.0502","","","0.1287","0.1345","","","","","","1.021","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150766","10.2829","0.0005","13.7839","0.0007","13.8591","0.0008","90","","109.118","0.002","90","","1856.02","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 O4 -","- C23 H24 O4 -","- C92 H96 O16 -","4","1","","Chantarasriwong, Oraphin; Cho, Woo Cheal; Batova, Ayse; Chavasiri, Warinthorn; Moore, Curtis; Rheingold, Arnold L.; Theodorakis, Emmanuel A.","Evaluation of the pharmacophoric motif of the caged Garcinia xanthones","Organic & Biomolecular Chemistry","2009","7","23","4886","4894","10.1039/b913496d","","","1.54178","CuKα","","0.0414","0.038","","","0.1066","0.1092","","","","","","1.087","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150767","10.9193","0.0004","12.83","0.0005","13.3814","0.0005","90","","105.65","0.002","90","","1805.16","0.12","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","","Chantarasriwong, Oraphin; Cho, Woo Cheal; Batova, Ayse; Chavasiri, Warinthorn; Moore, Curtis; Rheingold, Arnold L.; Theodorakis, Emmanuel A.","Evaluation of the pharmacophoric motif of the caged Garcinia xanthones","Organic & Biomolecular Chemistry","2009","7","23","4886","4894","10.1039/b913496d","","","1.54178","CuKα","","0.0422","0.0343","","","0.0864","0.0916","","","","","","1.003","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150768","8.0045","0.0002","13.2751","0.0004","16.4708","0.0005","90","","92.417","0.001","90","","1748.64","0.09","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 O5 -","- C20 H26 O5 -","- C80 H104 O20 -","4","1","","Chantarasriwong, Oraphin; Cho, Woo Cheal; Batova, Ayse; Chavasiri, Warinthorn; Moore, Curtis; Rheingold, Arnold L.; Theodorakis, Emmanuel A.","Evaluation of the pharmacophoric motif of the caged Garcinia xanthones","Organic & Biomolecular Chemistry","2009","7","23","4886","4894","10.1039/b913496d","","","1.54178","CuKα","","0.0322","0.0315","","","0.0739","0.0744","","","","","","1.043","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150769","7.6777","0.0004","12.8146","0.0008","33.0175","0.0018","90","","90","","90","","3248.5","0.3","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C152 H192 O32 -","8","1","","Chantarasriwong, Oraphin; Cho, Woo Cheal; Batova, Ayse; Chavasiri, Warinthorn; Moore, Curtis; Rheingold, Arnold L.; Theodorakis, Emmanuel A.","Evaluation of the pharmacophoric motif of the caged Garcinia xanthones","Organic & Biomolecular Chemistry","2009","7","23","4886","4894","10.1039/b913496d","","","1.54178","CuKα","","0.0593","0.0396","","","0.0951","0.1051","","","","","","1.014","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150770","9.8298","0.0005","9.8418","0.0004","20.5815","0.0009","89.13","0.003","89.002","0.004","67.618","0.003","1840.76","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 O6 -","- C23 H22 O6 -","- C92 H88 O24 -","4","2","","Chantarasriwong, Oraphin; Cho, Woo Cheal; Batova, Ayse; Chavasiri, Warinthorn; Moore, Curtis; Rheingold, Arnold L.; Theodorakis, Emmanuel A.","Evaluation of the pharmacophoric motif of the caged Garcinia xanthones","Organic & Biomolecular Chemistry","2009","7","23","4886","4894","10.1039/b913496d","","","1.54178","CuKα","","0.0783","0.064","","","0.1547","0.1654","","","","","","1.083","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150771","9.8106","0.0007","10.1395","0.0008","12.1918","0.0009","106.477","0.001","93.962","0.001","92.828","0.001","1157.17","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H35 N O4 -","- C28 H35 N O4 -","- C56 H70 N2 O8 -","2","1","","Chantarasriwong, Oraphin; Cho, Woo Cheal; Batova, Ayse; Chavasiri, Warinthorn; Moore, Curtis; Rheingold, Arnold L.; Theodorakis, Emmanuel A.","Evaluation of the pharmacophoric motif of the caged Garcinia xanthones","Organic & Biomolecular Chemistry","2009","7","23","4886","4894","10.1039/b913496d","","","0.71073","MoKα","","0.053","0.0468","","","0.1261","0.1308","","","","","","1.095","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150772","5.6114","0.0004","11.6946","0.0009","25.505","0.002","90","","90","","90","","1673.7","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O3 S -","- C19 H20 O3 S -","- C76 H80 O12 S4 -","4","1","","Stalford, Susanne A.; Kilner, Colin A.; Leach, Andrew G.; Turnbull, W. Bruce","Neighbouring group participation vs. addition to oxacarbenium ions: studies on the synthesis of mycobacterial oligosaccharides","Organic & Biomolecular Chemistry","2009","7","23","4842","4852","10.1039/b914417j","","","0.71073","MoKα","","0.0626","0.0437","","","0.0972","0.1051","","","","","","1.045","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150773","10.4694","0.0005","8.8437","0.0004","17.8168","0.0008","90","","93.3313","0.0005","90","","1646.84","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 I O7 S -","- C14 H15 I O7 S -","- C56 H60 I4 O28 S4 -","4","1","","Stoffman, Elia J. L.; Clive, Derrick L. J.","The coumarin→ indole transformation—a method for preparing 4-halo-5-hydroxyindoles from coumarins","Organic & Biomolecular Chemistry","2009","7","23","4862","4870","10.1039/b914580j","","","0.71073","MoKα","","0.0208","0.0195","","","0.0494","0.0504","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150774","17.53","0.003","14.759","0.003","14.559","0.003","90","","90","","90","","3766.8","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H20 Cl N O2 -","- C22 H20 Cl N O2 -","- C176 H160 Cl8 N8 O16 -","8","1","","Jiang, Huanfeng; Mai, Ronghuan; Cao, Hua; Zhu, Qiuhua; Liu, Xiaohang","l-Proline-catalyzed synthesis of highly functionalized multisubstituted 1,4-dihydropyridines","Organic & Biomolecular Chemistry","2009","7","23","4943","4953","10.1039/b914659h","","","0.71073","MoKα","","0.1059","0.0663","","","0.209","0.2385","","","","","","1.147","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150775","8.894","0.0001","15.573","0.0002","26.723","0.0004","106.777","0.001","95.504","0.001","92.328","0.001","3518.35","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H26 N2 O2 S -","- C17 H26 N2 O2 S -","- C136 H208 N16 O16 S8 -","8","4","","Butters, Michael; Davies, Christopher D.; Elliott, Mark C.; Hill-Cousins, Joseph; Kariuki, Benson M.; Ooi, Li-ling; Wood, John L.; Wordingham, Stuart V.","Synthesis and stereochemical determination of batzelladine C methyl ester","Organic & Biomolecular Chemistry","2009","7","23","5001","5009","10.1039/b914744f","","","0.71073","MoKα","","0.1367","0.0805","","","0.1641","0.1875","","","","","","1.023","","","","has coordinates,has disorder","301861","2025-08-22","11:11:48",""
"7150776","8.8875","0.0003","9.6663","0.0003","11.175","0.0003","84.792","0.001","76.137","0.001","67.11","0.001","858.67","0.05","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H17 Br Cl N O3 -","- C17 H17 Br Cl N O3 -","- C34 H34 Br2 Cl2 N2 O6 -","2","1","","Guo, Zhenqiu; Shi, Taoda; Jiang, Jun; Yang, Liping; Hu, Wenhao","Component match in rhodium catalyzed three-component reactions of ethyl diazoacetate, H2O and aryl imines: a highly diastereoselective one-step synthesis of β-aryl isoserine derivatives","Organic & Biomolecular Chemistry","2009","7","23","5028","5033","10.1039/b915013g","","","0.71073","MoKα","","0.0337","0.0308","","","0.0811","0.0836","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150777","10.8497","0.0012","17.4399","0.0018","16.2784","0.0017","90","","98.769","0.003","90","","3044.2","0.6","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","(E)-1,3-bis(4-bromobenzyl)-2-(3-methoxy-2-methyl-3-oxo-1- (phenylamino)prop-1-enyl)-1H-benzo(d)imidazol-3-ium tetrafluoroborate","","","- C32 H28 B Br2 F4 N3 O2 -","- C32 H28 B Br2 F4 N3 O2 -","- C128 H112 B4 Br8 F16 N12 O8 -","4","1","","Mo, Jun-Ming; Ma, Yang-Guang; Cheng, Ying","Synthesis of novel synthetic intermediates from the reaction of benzimidazole and triazole carbenes with ketenimines and their application in the construction of spiro-pyrroles","Organic & Biomolecular Chemistry","2009","7","23","5010","5019","10.1039/b915215f","","","0.7107","MoKα","","0.0618","0.0442","","","0.0963","0.1051","","","","","","1.035","","","","has coordinates,has disorder","301861","2025-08-22","11:11:48",""
"7150778","9.9376","0.001","13.3618","0.0014","14.33","0.0016","68.67","0.008","73.901","0.009","72.586","0.008","1660.6","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","(E)-ethyl 2'-(1-methoxy-1-oxopropan-2-ylidene)-1,3-bis(4- methylbenzyl)-1'-phenyl-1,1',2',3-tetrahydrospiro(benzo(d)imidazole- 2,3'-pyrrole)-4'-carboxylate","","","- C39 H39 N3 O4 -","- C39 H39 N3 O4 -","- C78 H78 N6 O8 -","2","1","","Mo, Jun-Ming; Ma, Yang-Guang; Cheng, Ying","Synthesis of novel synthetic intermediates from the reaction of benzimidazole and triazole carbenes with ketenimines and their application in the construction of spiro-pyrroles","Organic & Biomolecular Chemistry","2009","7","23","5010","5019","10.1039/b915215f","","","0.7107","MoKα","","0.1009","0.0764","","","0.2208","0.2439","","","","","","1.085","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150779","9.3172","0.0001","21.0352","0.0002","17.9002","0.0002","90","","96.187","0.001","90","","3487.81","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(E)-methyl 2-((E)-1,3-bis(4-bromobenzyl)-4'-ethyl-5'-(2- methoxy-2-oxoethylidene)-1'-phenyl-1,3-dihydrospiro(benzo(d)imidazole- 2,3'-pyrrolidine)-2'-ylidene)propanoate","","","- C39 H37 Br2 N3 O4 -","- C39 H37 Br2 N3 O4 -","- C156 H148 Br8 N12 O16 -","4","1","","Mo, Jun-Ming; Ma, Yang-Guang; Cheng, Ying","Synthesis of novel synthetic intermediates from the reaction of benzimidazole and triazole carbenes with ketenimines and their application in the construction of spiro-pyrroles","Organic & Biomolecular Chemistry","2009","7","23","5010","5019","10.1039/b915215f","","","0.71073","MoKα","","0.0679","0.044","","","0.1112","0.1235","","","","","","1.015","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150780","7.7608","0.0016","18.522","0.004","26.266","0.005","90","","94.7","0.03","90","","3762.9","1.3","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(E)-methyl 1,3-bis(4-bromobenzyl)-2'-(1-methoxy-1-oxopropan-2- ylidene)-5'-phenethyl-1'-phenyl-1,1',2',3- tetrahydrospiro(benzo(d)imidazole-2,3'-pyrrole)-4'-carboxylate","","","- C44 H39 Br2 N3 O4 -","- C44 H39 Br2 N3 O4 -","- C176 H156 Br8 N12 O16 -","4","1","","Mo, Jun-Ming; Ma, Yang-Guang; Cheng, Ying","Synthesis of novel synthetic intermediates from the reaction of benzimidazole and triazole carbenes with ketenimines and their application in the construction of spiro-pyrroles","Organic & Biomolecular Chemistry","2009","7","23","5010","5019","10.1039/b915215f","","","0.71073","MoKα","","0.0468","0.0379","","","0.092","0.0981","","","","","","1.047","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150781","11.8253","0.0019","18.626","0.003","15.232","0.002","90","","92.81","0.003","90","","3350.9","0.9","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(6E,8E)-methyl 6-(1-methoxy-1-oxopropan-2-ylidene)-7-(4- methoxyphenyl)-1,3,4-triphenyl-8-propylidene-1,2,4,7- tetraazaspiro(4.4)non-2-ene-9-carboxylate","","","- C39 H38 N4 O5 -","- C39 H38 N4 O5 -","- C156 H152 N16 O20 -","4","1","","Mo, Jun-Ming; Ma, Yang-Guang; Cheng, Ying","Synthesis of novel synthetic intermediates from the reaction of benzimidazole and triazole carbenes with ketenimines and their application in the construction of spiro-pyrroles","Organic & Biomolecular Chemistry","2009","7","23","5010","5019","10.1039/b915215f","","","0.7107","MoKα","","0.0632","0.0494","","","0.1193","0.1289","","","","","","1.056","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150782","9.2415","0.0009","20.801","0.002","17.049","0.0016","90","","92.631","0.004","90","","3273.9","0.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(R,E)-methyl 6-(1-methoxy-1-oxopropan-2-ylidene)-7-(4- methoxyphenyl)-1,3,4-triphenyl-8-propyl-1,2,4,7-tetraazaspiro(4.4)nona- 2,8-diene-9-carboxylate","","","- C39 H38 N4 O5 -","- C39 H38 N4 O5 -","- C156 H152 N16 O20 -","4","1","","Mo, Jun-Ming; Ma, Yang-Guang; Cheng, Ying","Synthesis of novel synthetic intermediates from the reaction of benzimidazole and triazole carbenes with ketenimines and their application in the construction of spiro-pyrroles","Organic & Biomolecular Chemistry","2009","7","23","5010","5019","10.1039/b915215f","","","0.7107","MoKα","","0.0596","0.0466","","","0.1108","0.118","","","","","","1.059","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150783","5.8116","0.0002","16.782","0.0006","24.6525","0.0009","90","","90","","90","","2404.37","0.15","100","2","100","2","","","","","","","synthesis as described","6","P c a b","-P 2bc 2ac","61","","","","- C12 H6 Cl I N2 S -","- C12 H6 Cl I N2 S -","- C96 H48 Cl8 I8 N16 S8 -","8","1","","Snégaroff, Katia; Lassagne, Frédéric; Bentabed-Ababsa, Ghenia; Nassar, Ekhlass; Ely, Sidaty Cheikh Sid; Hesse, Stéphanie; Perspicace, Enrico; Derdour, Aïcha; Mongin, Florence","Direct metallation of thienopyrimidines using a mixed lithium–cadmium base and antitumor activity of functionalized derivatives","Organic & Biomolecular Chemistry","2009","7","22","4782","","10.1039/b915274a","","x-ray","0.71073","MoKα","","0.0296","0.0252","","","0.0495","0.0517","","","","","","1.089","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150784","9.763","0.006","14.702","0.01","7.816","0.005","90","","108.886","0.01","90","","1061.5","1.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H17 N O4 -","- C9 H17 N O4 -","- C36 H68 N4 O16 -","4","1","","March-Cortijos, Andrea; Snape, Timothy J.","Towards a chemo-enzymatic method for the asymmetric synthesis of β-amino tertiary alcohols","Organic & Biomolecular Chemistry","2009","7","24","5163","5165","10.1039/b916013b","","","0.71073","MoKα","","0.2039","0.1069","","","0.113","0.1379","","","","","","1.095","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150785","9.2759","0.0013","14.318","0.002","7.9435","0.0011","90","","110.024","0.003","90","","991.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H15 N O4 -","- C9 H15 N O4 -","- C36 H60 N4 O16 -","4","1","","March-Cortijos, Andrea; Snape, Timothy J.","Towards a chemo-enzymatic method for the asymmetric synthesis of β-amino tertiary alcohols","Organic & Biomolecular Chemistry","2009","7","24","5163","5165","10.1039/b916013b","","","0.71073","MoKα","","0.0772","0.0438","","","0.0718","0.0787","","","","","","0.881","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150786","38.9473","0.0004","14.4159","0.0001","39.1396","0.0004","90","","110.841","0.0003","90","","20537.5","0.3","160","1","160","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C80 H155 Cl5 P10 Pt5 -","- C80 H155 Cl5 P10 Pt5 -","- C640 H1240 Cl40 P80 Pt40 -","8","2","","Maag, Roman; Northrop, Brian H.; Butterfield, Anna; Linden, Anthony; Zerbe, Oliver; Lee, Young Min; Chi, Ki-Whan; Stang, Peter J.; Siegel, Jay S.","Synthesis and X-ray structural analysis of platinum and ethynyl-platinum corannulenes: supramolecular tectons","Organic & Biomolecular Chemistry","2009","7","23","4881","4885","10.1039/b916020e","","","0.71073","MoKα","","0.0986","0.0658","","","0.1225","0.1334","","","","","","1.138","","","","has coordinates,has disorder","180293","2020-10-21","18:00:00",""
"7150787","31.0338","0.0002","33.4144","0.0002","8.0692","0.0001","90","","90","","90","","8367.57","0.13","160","1","160","1","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C52 H90 B22 Br12 N2 P4 Pt2 -","- C52 H90 B22 Br12 N2 P4 Pt2 -","- C208 H360 B88 Br48 N8 P16 Pt8 -","4","1","","Maag, Roman; Northrop, Brian H.; Butterfield, Anna; Linden, Anthony; Zerbe, Oliver; Lee, Young Min; Chi, Ki-Whan; Stang, Peter J.; Siegel, Jay S.","Synthesis and X-ray structural analysis of platinum and ethynyl-platinum corannulenes: supramolecular tectons","Organic & Biomolecular Chemistry","2009","7","23","4881","4885","10.1039/b916020e","","","0.71073","MoKα","","0.0794","0.0683","","","0.1763","0.1864","","","","","","1.025","","","","has coordinates,has disorder","180293","2020-10-21","18:00:00",""
"7150788","20.7278","0.0002","14.8192","0.0001","22.0662","0.0002","90","","115.237","0.0006","90","","6131.09","0.1","160","1","160","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51.5 H73.5 Cl4.5 I2 P4 Pt2 -","- C50 H72 I2 P4 Pt2 -","- C200 H288 I8 P16 Pt8 -","4","1","","Maag, Roman; Northrop, Brian H.; Butterfield, Anna; Linden, Anthony; Zerbe, Oliver; Lee, Young Min; Chi, Ki-Whan; Stang, Peter J.; Siegel, Jay S.","Synthesis and X-ray structural analysis of platinum and ethynyl-platinum corannulenes: supramolecular tectons","Organic & Biomolecular Chemistry","2009","7","23","4881","4885","10.1039/b916020e","","","0.71073","MoKα","","0.0884","0.0782","","","0.2167","0.225","","","","","","1.059","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150789","9.729","0.002","10.168","0.002","18.965","0.004","90","","90","","90","","1876.1","0.7","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C92 H84 N4 O12 -","4","1","","Jennings, W. Brian; McCarthy, Noel J. P.; Kelly, Padraig; Malone, John F.","Topically resolved intramolecular CH-π interactions in phenylalanine derivatives","Organic & Biomolecular Chemistry","2009","7","24","5156","5162","10.1039/b916021n","","","0.71073","MoKα","","0.0359","0.031","","","0.0779","0.0802","","","","","","1.049","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150790","9.094","0.002","11.642","0.003","9.371","0.002","90","","91.37","0.004","90","","991.8","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 O5 -","- C23 H20 N2 O5 -","- C46 H40 N4 O10 -","2","1","","Jennings, W. Brian; McCarthy, Noel J. P.; Kelly, Padraig; Malone, John F.","Topically resolved intramolecular CH-π interactions in phenylalanine derivatives","Organic & Biomolecular Chemistry","2009","7","24","5156","5162","10.1039/b916021n","","","0.71073","MoKα","","0.0323","0.0295","","","0.0752","0.077","","","","","","1.064","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150791","9.212","0.002","10.822","0.003","19.309","0.005","90","","90","","90","","1925","0.8","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C92 H84 N4 O12 -","4","1","","Jennings, W. Brian; McCarthy, Noel J. P.; Kelly, Padraig; Malone, John F.","Topically resolved intramolecular CH-π interactions in phenylalanine derivatives","Organic & Biomolecular Chemistry","2009","7","24","5156","5162","10.1039/b916021n","","","0.71073","MoKα","","0.0414","0.035","","","0.0824","0.0851","","","","","","1.046","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150792","5.6393","0.0002","11.9631","0.0004","38.0483","0.0013","90","","90","","90","","2566.87","0.15","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H11 N3 O -","- C16 H11 N3 O -","- C128 H88 N24 O8 -","8","2","","Tran, Tuan P.; Patel, Nandini; Samas, Brian; Schwarz, Jacob B.","Robust preparation of novel imidazo[5,1-b][1,3,4]oxadiazoles","Organic & Biomolecular Chemistry","2009","7","24","5063","5066","10.1039/b916188k","","","1.54178","CuKα","","0.0464","0.0385","","","0.0943","0.1001","","","","","","1.02","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150793","7.0096","0.0002","7.1705","0.0003","13.765","0.0005","104.93","0.002","92.086","0.002","98.384","0.002","659.38","0.04","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N4 O3 -","- C14 H12 N4 O3 -","- C28 H24 N8 O6 -","2","1","","Tran, Tuan P.; Patel, Nandini; Samas, Brian; Schwarz, Jacob B.","Robust preparation of novel imidazo[5,1-b][1,3,4]oxadiazoles","Organic & Biomolecular Chemistry","2009","7","24","5063","5066","10.1039/b916188k","","","1.54178","CuKα","","0.048","0.0422","","","0.1275","0.1337","","","","","","1.606","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150794","8.681","0.001","9.784","0.001","24.875","0.003","90","","90","","90","","2112.8","0.4","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Diethyl-1-(2-(5-(alloyoxy)-2,4-dimethoxyphenyl)-1-oxopropan-2- yl)hydrazine-1,2-dicarboxylate","Diethyl-1-(2-(5-(alloyoxy)-2,4-dimethoxyphenyl)-1-oxopropan-2-yl)hydrazine- 1,2-dicarboxylate","","- C20 H28 N2 O8 -","- C20 H28 N2 O8 -","- C80 H112 N8 O32 -","4","1","","Hartmann, Caroline E.; Gross, Patrick J.; Nieger, Martin; Bräse, Stefan","Towards an asymmetric synthesis of the bacterial peptide deformylase (PDF) inhibitor fumimycin","Organic & Biomolecular Chemistry","2009","7","24","5059","5062","10.1039/b916372g","","","0.71073","MoKα","","0.0421","0.0364","","","0.0837","0.0867","","","","","","1.073","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7150795","8.771","0.003","9.743","0.003","26.204","0.009","90","","90","","90","","2239.3","1.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N4 O4 -","- C24 H30 N4 O4 -","- C96 H120 N16 O16 -","4","1","","Jiang, Jun; Chen, Xiaohong; Wang, Jun; Hui, Yonghai; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming","Chiral biphenylamide derivative: an efficient organocatalyst for the enantioselective synthesis of α-hydroxy phosphonates","Organic & Biomolecular Chemistry","2009","7","21","4355","4357","10.1039/b917554g","","","0.71073","MoKα","","0.1969","0.0506","","","0.1054","0.1402","","","","","","1.005","","","","has coordinates","301861","2025-08-22","11:11:48",""
"7153547","12.3395","0.0005","16.6385","0.0009","16.9325","0.0007","102.905","0.003","101.82","0.002","111.464","0.002","2992.1","0.3","146","2","146","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O -","- C19 H19 N O -","- C152 H152 N8 O8 -","8","4","","Yeom, Hyun-Suk; Lee, Youngun; Lee, Ji-Eun; Shin, Seunghoon","Geometry-dependent divergence in the gold-catalyzed redox cascade cyclization of o-alkynylaryl ketoximes and nitrones leading to isoindoles","Organic & Biomolecular Chemistry","2009","7","22","4744","4752","10.1039/b910757f","","","0.71073","MoKα","","0.1192","0.0715","","","0.1878","0.2197","","","","","","1.068","","","","has coordinates","301861","2025-08-22","11:12:08",""
"7153548","5.5694","0.0015","10.414","0.003","30.935","0.008","90","","90","","90","","1794.2","0.8","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H31 N O4 -","- C18 H31 N O4 -","- C72 H124 N4 O16 -","4","1","","Lin, Geng-Jie; Huang, Pei-Qiang","A concise and fully selective synthesis of the ant venom alkaloid (3S,5R,8S,9S)-3-butyl-5-propyl-8-hydroxyindolizidine","Organic & Biomolecular Chemistry","2009","7","21","4491","4495","10.1039/b912190k","","","0.71073","MoKα","","0.0884","0.0569","","","0.1508","0.166","","","","","","1.024","","","","has coordinates","301861","2025-08-22","11:12:08",""
"7153549","6.367","0.002","8.922","0.003","12.227","0.004","69.01","0.005","80.262","0.005","75.241","0.005","624.7","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H16 F2 O2 -","- C14 H16 F2 O2 -","- C28 H32 F4 O4 -","2","1","","Anderl, Timo; Audouard, Christophe; Miah, Afjal; Percy, Jonathan M.; Rinaudo, Giuseppe; Singh, Kuldip","Syntheses of difluorinated carbasugar phosphates from trifluoroethanol","Organic & Biomolecular Chemistry","2009","7","24","5200","5206","10.1039/b914068a","","","0.71073","MoKα","","0.046","0.0344","","","0.0743","0.0783","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:12:08",""
"7153550","13.5039","0.0004","12.3329","0.0003","10.3136","0.0003","90","","95.707","0.001","90","","1709.14","0.08","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O2 S2 -","- C18 H19 N O2 S2 -","- C72 H76 N4 O8 S8 -","4","1","","Prasad, D. J. C.; Sekar, Govindasamy","An efficient copper-catalyzed synthesis of hexahydro-1H- phenothiazines","Organic & Biomolecular Chemistry","2009","7","24","5091","5097","10.1039/b916664e","","","0.71073","MoKα","","0.0629","0.0399","","","0.1224","0.1485","","","","","","0.97","","","","has coordinates","301861","2025-08-22","11:12:08",""
"7153551","14.6365","0.0004","12.8539","0.0003","9.8406","0.0003","90","","97.759","0.001","90","","1834.42","0.09","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O2 S2 -","- C19 H21 N O2 S2 -","- C76 H84 N4 O8 S8 -","4","1","","Prasad, D. J. C.; Sekar, Govindasamy","An efficient copper-catalyzed synthesis of hexahydro-1H- phenothiazines","Organic & Biomolecular Chemistry","2009","7","24","5091","5097","10.1039/b916664e","","","0.71073","MoKα","","0.0641","0.0415","","","0.1244","0.1456","","","","","","0.98","","","","has coordinates","301861","2025-08-22","11:12:08",""
"7153552","7.629","0.0015","11.646","0.002","11.722","0.002","115.05","0.03","92.13","0.03","92.44","0.03","940.9","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H23 N O2 S2 -","- C20 H23 N O2 S2 -","- C40 H46 N2 O4 S4 -","2","1","","Prasad, D. J. C.; Sekar, Govindasamy","An efficient copper-catalyzed synthesis of hexahydro-1H- phenothiazines","Organic & Biomolecular Chemistry","2009","7","24","5091","5097","10.1039/b916664e","","","0.71073","MoKα","","0.0962","0.0542","","","0.1495","0.175","","","","","","1.019","","","","has coordinates","301861","2025-08-22","11:12:08",""
"7153553","8.2666","0.0003","13.1054","0.0004","18.5231","0.0007","90","","95.842","0.002","90","","1996.32","0.12","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 N O2 S2 -","- C21 H25 N O2 S2 -","- C84 H100 N4 O8 S8 -","4","1","","Prasad, D. J. C.; Sekar, Govindasamy","An efficient copper-catalyzed synthesis of hexahydro-1H- phenothiazines","Organic & Biomolecular Chemistry","2009","7","24","5091","5097","10.1039/b916664e","","","0.71073","MoKα","","0.1179","0.0502","","","0.1168","0.1397","","","","","","1.086","","","","has coordinates","301861","2025-08-22","11:12:08",""
"7200926","7.7372","0.0009","7.0418","0.0009","13.8744","0.0017","90","","95.18","0.01","90","","752.84","0.16","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","6-(trifluoromethyl)-3-pyridylboronic acid","6-(trifluoromethyl)-3-pyridylboronic acid","","- C6 H5 B F3 N O2 -","- C6 H5 B F3 N O2 -","- C24 H20 B4 F12 N4 O8 -","4","1","","Clapham, Kate M.; Batsanov, Andrei S.; Bryce, Martin R.; Tarbit, Brian","Trifluoromethyl-substituted pyridyl- and pyrazolylboronic acids and esters: synthesis and Suzuki–Miyaura cross-coupling reactions","Organic & Biomolecular Chemistry","2009","7","10","2155","2161","10.1039/b901024f","","","0.71073","MoKα","","0.0493","0.0384","","","0.0956","0.1015","","","","","","1.062","","","","has coordinates,has disorder","301863","2025-08-22","13:06:27",""
"7200927","12.1172","0.0013","16.9563","0.0018","9.5326","0.001","90","","113.12","0.02","90","","1801.3","0.4","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","3-(Trifluoromethyl)-1-(4-methoxyphenyl)-5-(4,4,5,5- tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole","3-(Trifluoromethyl)-1-(4-methoxyphenyl)-5-(4,4,5,5- tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole","","- C17 H20 B F3 N2 O3 -","- C17 H20 B F3 N2 O3 -","- C68 H80 B4 F12 N8 O12 -","4","1","","Clapham, Kate M.; Batsanov, Andrei S.; Bryce, Martin R.; Tarbit, Brian","Trifluoromethyl-substituted pyridyl- and pyrazolylboronic acids and esters: synthesis and Suzuki–Miyaura cross-coupling reactions","Organic & Biomolecular Chemistry","2009","7","10","2155","2161","10.1039/b901024f","","","0.71073","MoKα","","0.0545","0.0407","","","0.1038","0.1144","","","","","","1.018","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7200928","5.8768","0.0008","8.4512","0.0012","15.156","0.002","83.57","0.02","82.56","0.03","85.02","0.03","739.71","0.19","120","2","120","2","","","","","","","","5","P -1","-P 1","2","5-(3-(trifluoromethyl)-1-phenyl-1H-pyrazol-5-yl)-3- nitropyridin-2-amine","5-{3-(trifluoromethyl)-1-phenyl-1H-pyrazol-5-yl}- 3-nitropyridin-2-amine","","- C15 H10 F3 N5 O2 -","- C15 H10 F3 N5 O2 -","- C30 H20 F6 N10 O4 -","2","1","","Clapham, Kate M.; Batsanov, Andrei S.; Bryce, Martin R.; Tarbit, Brian","Trifluoromethyl-substituted pyridyl- and pyrazolylboronic acids and esters: synthesis and Suzuki–Miyaura cross-coupling reactions","Organic & Biomolecular Chemistry","2009","7","10","2155","2161","10.1039/b901024f","","","0.71073","MoKα","","0.0432","0.0342","","","0.0893","0.094","","","","","","1.028","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7200929","8.3449","0.0004","17.3757","0.0006","12.7303","0.0005","90","","94.65","0.01","90","","1839.8","0.13","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-(3-(trifluoromethyl)-4-(6-methoxypyridin-3-yl)-1-phenyl-1H- pyrazol-5-yl)pyridine","2-{3-(trifluoromethyl)-4-(6-methoxypyridin-3-yl)-1-phenyl-1H- pyrazol-5-yl)pyridine","","- C21 H15 F3 N4 O -","- C21 H15 F3 N4 O -","- C84 H60 F12 N16 O4 -","4","1","","Clapham, Kate M.; Batsanov, Andrei S.; Bryce, Martin R.; Tarbit, Brian","Trifluoromethyl-substituted pyridyl- and pyrazolylboronic acids and esters: synthesis and Suzuki–Miyaura cross-coupling reactions","Organic & Biomolecular Chemistry","2009","7","10","2155","2161","10.1039/b901024f","","","0.71073","MoKα","","0.0404","0.0359","","","0.0969","0.1007","","","","","","1.072","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7200930","24.08","0.004","7.8042","0.0012","9.3848","0.0014","90","","96.42","0.03","90","","1752.6","0.5","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","2-chloro-5-(trifluoromethyl)-4-pyridylboronic acid","2-chloro-5-(trifluoromethyl)-4-pyridylboronic acid","","- C6 H4 B Cl F3 N O2 -","- C6 H4 B Cl F3 N O2 -","- C48 H32 B8 Cl8 F24 N8 O16 -","8","1","","Clapham, Kate M.; Batsanov, Andrei S.; Bryce, Martin R.; Tarbit, Brian","Trifluoromethyl-substituted pyridyl- and pyrazolylboronic acids and esters: synthesis and Suzuki–Miyaura cross-coupling reactions","Organic & Biomolecular Chemistry","2009","7","10","2155","2161","10.1039/b901024f","","","0.71073","MoKα","","0.0324","0.0261","","","0.07","0.0728","","","","","","1.077","","","","has coordinates","301863","2025-08-22","13:06:27",""
"7203693","26.6252","0.0006","26.6252","","14.6744","0.0007","90","","90","","120","","9009","0.5","223","2","223","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C9.33 H18.33 Cl N3 S6 Sb -","- C9.33333 H18 Cl0.99 N3 S6 Sb -","- C168 H324 Cl17.82 N54 S108 Sb18 -","18","1","","Liu, Yu; Tiekink, Edward R. T.","Supramolecular associations in binary antimony(iii) dithiocarbamates: influence of ligand steric bulk, influence on coordination geometry, and competition with hydrogen-bonding","CrystEngComm","2005","7","2","20","","10.1039/b416493h","","","0.71069","MoKα","","0.054","0.043","","","0.111","0.118","","","","","","1.03","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203694","10.3916","0.0006","11.466","0.0007","13.752","0.0009","95.617","0.001","110.929","0.001","106.614","0.002","1429.47","0.15","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H31 Cl3 N3 S6 Sb -","- C19 H31 Cl3 N3 S6 Sb -","- C38 H62 Cl6 N6 S12 Sb2 -","2","1","","Liu, Yu; Tiekink, Edward R. T.","Supramolecular associations in binary antimony(iii) dithiocarbamates: influence of ligand steric bulk, influence on coordination geometry, and competition with hydrogen-bonding","CrystEngComm","2005","7","2","20","","10.1039/b416493h","","","0.71069","MoKα","","0.05","0.039","","","0.085","0.09","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203695","10.908","0.0006","13.5802","0.0007","18.8708","0.001","90","","99.305","0.001","90","","2758.6","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H36 N3 S6 Sb -","- C21 H36 N3 S6 Sb -","- C84 H144 N12 S24 Sb4 -","4","1","","Liu, Yu; Tiekink, Edward R. T.","Supramolecular associations in binary antimony(iii) dithiocarbamates: influence of ligand steric bulk, influence on coordination geometry, and competition with hydrogen-bonding","CrystEngComm","2005","7","2","20","","10.1039/b416493h","","","0.71069","MoKα","","0.135","0.071","","","0.115","0.135","","","","","","1.02","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203696","9.8634","0.0006","13.1293","0.0007","17.145","0.0009","93.689","0.001","99.276","0.001","105.504","0.001","2098","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H42 N3 S6 Sb -","- C45 H42 N3 S6 Sb -","- C90 H84 N6 S12 Sb2 -","2","1","","Liu, Yu; Tiekink, Edward R. T.","Supramolecular associations in binary antimony(iii) dithiocarbamates: influence of ligand steric bulk, influence on coordination geometry, and competition with hydrogen-bonding","CrystEngComm","2005","7","2","20","","10.1039/b416493h","","","0.71069","MoKα","","0.058","0.045","","","0.098","0.107","","","","","","1.02","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203698","10.0685","0.0002","12.7121","0.0003","10.079","0.0002","90","","115.515","0.001","90","","1164.22","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-(2-hydroxyethyl)ferrocene carboxamide","N-(2-hydroxyethyl)ferrocene carboxamide","","- C13 H15 Fe N O2 -","- C13 H15 Fe N O2 -","- C52 H60 Fe4 N4 O8 -","4","1","","Petr Štěpnička; Ivana Císařová","Preparation and hydrogen bonding in ferrocenecarboxamides substituted with 2-hydroxyethyl groups at the amide nitrogen atoms","CrystEngComm","2005","7","4","37","","10.1039/b417062h","","","0.71073","MoKα","","0.0343","0.0274","","","0.0645","0.0681","","","","","","1.056","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203699","9.0886","0.0002","10.0348","0.0001","16.761","0.0003","90","","90","","90","","1528.64","0.05","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","N,N'-bis(2-hydroxyethyl)ferrocene 1,1-dicarboxamide","N,N'-bis(2-hydroxyethyl)ferrocene 1,1-dicarboxamide","","- C16 H20 Fe N2 O4 -","- C16 H20 Fe N2 O4 -","- C64 H80 Fe4 N8 O16 -","4","1","","Petr Štěpnička; Ivana Císařová","Preparation and hydrogen bonding in ferrocenecarboxamides substituted with 2-hydroxyethyl groups at the amide nitrogen atoms","CrystEngComm","2005","7","4","37","","10.1039/b417062h","","","0.71073","MoKα","","0.0196","0.0191","","","0.0499","0.0502","","","","","","1.067","","","","has coordinates","180367","2020-10-21","18:00:00",""
"7203700","12.697","0.0002","10.017","0.0002","22.015","0.0003","90","","92.601","0.001","90","","2797.11","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N,N-bis(2-hydroxyethyl)ferrocene carboxamide","N,N-bis(2-hydroxyethyl)ferrocene carboxamide","","- C15 H19 Fe N O3 -","- C15 H19 Fe N O3 -","- C120 H152 Fe8 N8 O24 -","8","2","","Petr Štěpnička; Ivana Císařová","Preparation and hydrogen bonding in ferrocenecarboxamides substituted with 2-hydroxyethyl groups at the amide nitrogen atoms","CrystEngComm","2005","7","4","37","","10.1039/b417062h","","","0.71073","MoKα","","0.0678","0.0536","","","0.1343","0.1412","","","","","","1.08","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203701","21.35","0.0003","7.75","0.0004","15.596","0.0005","90","","130.317","0.002","90","","1967.61","0.14","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","N,N,N',N'-tetrakis(2-hydroxyethyl)-1,1'-ferrocenedicarboxamide","N,N,N',N'-tetrakis(2-hydroxyethyl)-1,1'-ferrocenedicarboxamide","","- C20 H28 Fe N2 O6 -","- C20 H28 Fe N2 O6 -","- C80 H112 Fe4 N8 O24 -","4","0.5","","Petr Štěpnička; Ivana Císařová","Preparation and hydrogen bonding in ferrocenecarboxamides substituted with 2-hydroxyethyl groups at the amide nitrogen atoms","CrystEngComm","2005","7","4","37","","10.1039/b417062h","","","0.71073","MoKα","","0.0553","0.0365","","","0.0718","0.0785","","","","","","1.032","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203702","17.404","0.004","12.702","0.003","15.22","0.005","90","","100.46","0.02","90","","3308.7","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 Fe Na3 O17 -","- C6 H10 Fe Na3 O17 -","- C48 H80 Fe8 Na24 O136 -","8","1","","Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel","Bis and tris(oxalato)ferrate(iii) complexes as precursors of polynuclear compounds","CrystEngComm","2005","7","7","57","","10.1039/b417251e","","","0.71073","MoKα","","0.0712","0.057","","","0.1434","0.1534","","","","","","1.097","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203703","13.231","0.003","13.395","0.003","15.823","0.003","85.6","0.03","86.42","0.03","62.85","0.03","2486.8","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H45 As2 Fe O12.5 -","- C53 H44 As2 Fe O12.5 -","- C106 H88 As4 Fe2 O25 -","2","1","","Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel","Bis and tris(oxalato)ferrate(iii) complexes as precursors of polynuclear compounds","CrystEngComm","2005","7","7","57","","10.1039/b417251e","","","0.71073","MoKα","","0.073","0.0466","","","0.1213","0.1378","","","","","","0.967","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203704","14.565","0.003","13.618","0.003","18.393","0.004","90","","111.28","0.03","90","","3399.4","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 As Fe N2 O9 -","- C38 H30 As Fe N2 O9 -","- C152 H120 As4 Fe4 N8 O36 -","4","1","","Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel","Bis and tris(oxalato)ferrate(iii) complexes as precursors of polynuclear compounds","CrystEngComm","2005","7","7","57","","10.1039/b417251e","","","0.71073","MoKα","","0.0549","0.0398","","","0.0923","0.1003","","","","","","1.014","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203705","9.4991","0.0019","14.279","0.003","14.557","0.003","103.57","0.03","99.94","0.03","105.77","0.03","1787.2","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H30 As Fe N2 O9 -","- C40 H28 As Fe N2 O9 -","- C80 H56 As2 Fe2 N4 O18 -","2","1","","Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel","Bis and tris(oxalato)ferrate(iii) complexes as precursors of polynuclear compounds","CrystEngComm","2005","7","7","57","","10.1039/b417251e","","","0.71073","MoKα","","0.0865","0.0525","","","0.1241","0.1424","","","","","","1.036","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203706","10.436","0.002","29.919","0.006","14.882","0.003","90","","99.47","0.03","90","","4583.4","1.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H38 Fe2 N6 Na O19 -","- C42 H28 Fe2 N6 Na O19 -","- C168 H112 Fe8 N24 Na4 O76 -","4","1","","Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel","Bis and tris(oxalato)ferrate(iii) complexes as precursors of polynuclear compounds","CrystEngComm","2005","7","7","57","","10.1039/b417251e","","","0.71073","MoKα","","0.1441","0.0794","","","0.2155","0.2587","","","","","","0.985","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203709","7.2504","0.0016","9.346","0.002","11.785","0.003","108.4","0.003","98.483","0.003","108.72","0.003","689.6","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H10 Cl2 Cu N2 O5 -","- C12 H10 Cl2 Cu N2 O5 -","- C24 H20 Cl4 Cu2 N4 O10 -","2","1","","Tynan, Eithne; Jensen, Paul; Lees, Anthea C.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.","The role of acid in the formation of hydrogen-bonded networks featuring 4,4?-dicarboxy-2,2?-bipyridine (H2dcbp): Synthesis, structural and magnetic characterisation of {[Cu(H2dcbp)Cl2]�H2O}2 and [Cu(H2dcbp)(NO3)2(H2O)]","CrystEngComm","2005","7","13","90","","10.1039/b417520d","","","0.71073","MoKα","","0.0364","0.0337","","","0.0933","0.0947","","","","","","1.096","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203710","6.4404","0.0004","9.7045","0.0006","13.6309","0.0008","76.339","0.001","84.205","0.001","78.894","0.001","810.96","0.09","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Cu N4 O11 -","- C12 H10 Cu N4 O11 -","- C24 H20 Cu2 N8 O22 -","2","1","","Tynan, Eithne; Jensen, Paul; Lees, Anthea C.; Moubaraki, Boujemaa; Murray, Keith S.; Kruger, Paul E.","The role of acid in the formation of hydrogen-bonded networks featuring 4,4?-dicarboxy-2,2?-bipyridine (H2dcbp): Synthesis, structural and magnetic characterisation of {[Cu(H2dcbp)Cl2]�H2O}2 and [Cu(H2dcbp)(NO3)2(H2O)]","CrystEngComm","2005","7","13","90","","10.1039/b417520d","","","0.71073","MoKα","","0.0547","0.0478","","","0.1221","0.1255","","","","","","1.06","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203711","17.974","0.006","19.563","0.006","18.139","0.006","90","","114.41","0.01","90","","5808","3","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C42 H26 Ag2 F6 N8 O6 S2 -","- C42 H24 Ag2 F6 N8 O6 S2 -","- C168 H96 Ag8 F24 N32 O24 S8 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","Four new 2D porous polymeric frames from the self-assembly of silver triflate and silver tosylate with free-base and Zn-metallated 5,10,15,20-tetra(4-pyridyl)porphyrin","CrystEngComm","2005","7","11","78","","10.1039/b417709f","","","0.71073","MoKα","","0.1463","0.0553","","0.1432","0.1221","","","","0.764","","","","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203712","22.5979","0.0012","9.886","0.0006","22.9546","0.0013","90","","103.113","0.002","90","","4994.4","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78 H62 Ag2 Cl4 N12 O6 S2 -","- C78 H60 Ag2 Cl4 N12 O6.004 S2 -","- C156 H120 Ag4 Cl8 N24 O12.008 S4 -","2","0.5","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","Four new 2D porous polymeric frames from the self-assembly of silver triflate and silver tosylate with free-base and Zn-metallated 5,10,15,20-tetra(4-pyridyl)porphyrin","CrystEngComm","2005","7","11","78","","10.1039/b417709f","","","0.71073","MoKα","","0.1018","0.0712","","0.2631","0.2357","","","","1.093","","","","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203713","24.888","0.009","15.171","0.005","32.904","0.011","90","","98.9","0.01","90","","12274","7","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C89 H57 Ag2 F6 N17 O6 S2 Zn2 -","- C89 H57 Ag2 F6 N17 O6 S2 Zn2 -","- C356 H228 Ag8 F24 N68 O24 S8 Zn8 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","Four new 2D porous polymeric frames from the self-assembly of silver triflate and silver tosylate with free-base and Zn-metallated 5,10,15,20-tetra(4-pyridyl)porphyrin","CrystEngComm","2005","7","11","78","","10.1039/b417709f","","","0.71073","MoKα","","0.097","0.0611","","","0.1534","0.1628","","","","","","0.868","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203714","9.782","0.001","18.303","0.003","18.832","0.003","99.82","0.01","99.17","0.01","96.74","0.01","3243.4","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H47 Ag2 N9 O7 S2 Zn -","- C58 H47 Ag2 N9 O7 S2 Zn -","- C116 H94 Ag4 N18 O14 S4 Zn2 -","2","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Porta, Francesca","Four new 2D porous polymeric frames from the self-assembly of silver triflate and silver tosylate with free-base and Zn-metallated 5,10,15,20-tetra(4-pyridyl)porphyrin","CrystEngComm","2005","7","11","78","","10.1039/b417709f","","","0.71073","MoKα","","0.1023","0.0615","","0.171","0.1582","","","","0.971","","","","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203715","16.27","0.0006","11.3714","0.0004","16.604","0.0006","90","","91.6986","0.0016","90","","3070.6","0.19","150","2","150","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","Bis(2,6-bis(3-(hydroxymethyl)pyrazol-1-yl)pyridine)iron(ii) diperchlorate, alpha polymorph","Bis[2,6-bis{3-(hydroxymethyl)pyrazol-1-yl}pyridine]iron(II) diperchlorate, alpha polymorph","","- C26 H26 Cl2 Fe N10 O12 -","- C26 H26 Cl2 Fe N10 O12 -","- C104 H104 Cl8 Fe4 N40 O48 -","4","1","","Jérôme Elhaïk; Colin A. Kilner; Malcolm A. Halcrow","An iron(ii) complex salt that crystallises in three crystal forms, one of which undergoes a sterically controlled incomplete spin-state transition on cooling","CrystEngComm","2005","7","23","151","","10.1039/b417718e","","","0.71073","MoKα","","0.0713","0.0621","","","0.1697","0.1822","","","","","","1.035","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203716","20.1578","0.0002","10.0249","0.0001","16.2228","0.0001","90","","108.316","0.0008","90","","3112.22","0.05","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis(2,6-bis(3-(hydroxymethyl)pyrazol-1-yl)pyridine)iron(ii) diperchlorate, beta polymorph","Bis[2,6-bis{3-(hydroxymethyl)pyrazol-1-yl}pyridine]iron(II) diperchlorate, beta polymorph","","- C26 H26 Cl2 Fe N10 O12 -","- C26 H26 Cl2 Fe N10 O12 -","- C104 H104 Cl8 Fe4 N40 O48 -","4","1","","Jérôme Elhaïk; Colin A. Kilner; Malcolm A. Halcrow","An iron(ii) complex salt that crystallises in three crystal forms, one of which undergoes a sterically controlled incomplete spin-state transition on cooling","CrystEngComm","2005","7","23","151","","10.1039/b417718e","","","0.71073","MoKα","","0.0445","0.0388","","","0.1051","0.111","","","","","","1.028","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203717","22.8535","0.0002","11.6789","0.0001","27.9986","0.0003","90","","107.612","0.0005","90","","7122.65","0.12","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(2,6-bis(3-hydroxymethylpyrazol-1-yl)pyridine)iron(ii) diperchlorate acetonitrile solvate","Bis[2,6-bis(3-hydroxymethylpyrazol-1-yl)pyridine]iron(II) diperchlorate acetonitrile solvate","","- C27.5 H28.25 Cl2 Fe N10.75 O12 -","- C28.25 H26 Cl2 Fe N10 O12 -","- C226 H208 Cl16 Fe8 N80 O96 -","8","1","","Jérôme Elhaïk; Colin A. Kilner; Malcolm A. Halcrow","An iron(ii) complex salt that crystallises in three crystal forms, one of which undergoes a sterically controlled incomplete spin-state transition on cooling","CrystEngComm","2005","7","23","151","","10.1039/b417718e","","","0.71073","MoKα","","0.1025","0.0749","","","0.2076","0.2341","","","","","","1.088","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203718","22.4565","0.0002","11.604","0.0001","27.9163","0.0003","90","","107.381","0.0004","90","","6942.41","0.11","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Bis(2,6-bis(3-hydroxymethylpyrazol-1-yl)pyridine)iron(ii) diperchlorate acetonitrile solvate","Bis[2,6-bis(3-hydroxymethylpyrazol-1-yl)pyridine]iron(II) diperchlorate acetonitrile solvate","","- C27.5 H28.25 Cl2 Fe N10.75 O12 -","- C28.25 H26 Cl2 Fe N10 O12 -","- C226 H208 Cl16 Fe8 N80 O96 -","8","1","","Jérôme Elhaïk; Colin A. Kilner; Malcolm A. Halcrow","An iron(ii) complex salt that crystallises in three crystal forms, one of which undergoes a sterically controlled incomplete spin-state transition on cooling","CrystEngComm","2005","7","23","151","","10.1039/b417718e","","","0.71073","MoKα","","0.109","0.0929","","","0.2487","0.2691","","","","","","1.094","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7203719","11.2787","0.0012","11.699","0.0013","11.696","0.0013","90","","115.519","0.002","90","","1392.7","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H40 O2 Sn -","- C32 H39 O2 Sn -","- C64 H78 O4 Sn2 -","2","1","","John Fawcett; Eric G. Hope; Alison M. Stuart; Andrew J. West","Recycling of a perfluoroalkylated BINOL ligand using fluorous solid-phase extraction","Green Chemistry","2005","7","5","316","","10.1039/b418039a","","","0.71073","MoKα","","0.0459","0.045","","","0.1199","0.1205","","","","","","1.076","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203720","10.9119","0.0002","11.0748","0.0002","14.0183","0.0003","67.817","0.0009","70.609","0.001","65.733","0.001","1398.34","0.05","150","1","150","1","","","","","","","Synthesised by authors, see text","6","P -1","-P 1","2","(Trisaqua(18-crown-6)gadolinium(iii)) hexacyanoferrate(iii) dihydrate","[Trisaqua(18-crown-6)gadolinium(III)] hexacyanoferrate(III) dihydrate","","- C18 H34 Fe Gd N6 O11 -","- C18 H34 Fe Gd N6 O11 -","- C36 H68 Fe2 Gd2 N12 O22 -","2","1","","Rajesh Koner; Malabika Nayak; George Ferguson; John N. Low; Christopher Glidewell; Phalguni Misra; Sasankasekhar Mohanta","Strongly hydrogen bonded interlocked infinite double helices in a crown ether based gadolinium(iii) hexacyanoferrate(iii) supramolecule","CrystEngComm","2005","7","19","129","","10.1039/b418173e","","","0.71073","MoKα","","0.0241","0.0217","","","0.0653","0.0666","","","","","","1.201","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203721","7.4613","0.0009","20.3543","0.0019","20.47","0.002","90","","95.439","0.006","90","","3094.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 Cd1.5 N2 O18 S -","- C21 H39 Cd1.5 N2 O18 S -","- C84 H156 Cd6 N8 O72 S4 -","4","1","","Liu, Qing -Yan; Xu, Li","(H2O)12-containing infinite chain encapsulated in supramolecular open framework built of cadmium(ii), 1,3-di(4-pyridyl)propane and 5-sulfoisophthalic acid monosodium salt","CrystEngComm","2005","7","12","87","","10.1039/b418341j","","","0.71073","MoKα","","0.055","0.0487","","","0.0954","0.0987","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7203722","6.9376","0.0002","7.445","0.0002","9.1267","0.0002","97.732","0.002","103.958","0.002","115.766","0.002","396.24","0.02","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H12 N2 O3 -","- C6 H12 N2 O3 -","- C12 H24 N4 O6 -","2","1","","Fabbiani, Francesca P. A.; Allan, David R.; Parsons, Simon; Pulham, Colin R.","An exploration of the polymorphism of piracetam using high pressure","CrystEngComm","2005","7","29","179","","10.1039/b418976k","","","0.71073","MoKα","","0.0477","0.0414","","0.1173","0.1155","0.1173","","","","","","0.9936","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203723","8.9537","0.0011","5.4541","0.0006","13.61","0.004","90","","104.93","0.02","90","","642.2","0.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C24 H40 N8 O8 -","4","1","","Fabbiani, Francesca P. A.; Allan, David R.; Parsons, Simon; Pulham, Colin R.","An exploration of the polymorphism of piracetam using high pressure","CrystEngComm","2005","7","29","179","","10.1039/b418976k","","","0.71073","MoKα","","0.0724","0.0526","","0.1026","0.0957","0.1026","","","","","","1.0911","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203724","6.7254","0.0002","13.2572","0.0004","8.0529","0.0002","90","","98.603","0.002","90","","709.92","0.04","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C24 H40 N8 O8 -","4","1","","Fabbiani, Francesca P. A.; Allan, David R.; Parsons, Simon; Pulham, Colin R.","An exploration of the polymorphism of piracetam using high pressure","CrystEngComm","2005","7","29","179","","10.1039/b418976k","","","0.71073","MoKα","","0.0618","0.0419","","0.0913","0.0842","0.0913","","","","","","0.9736","","","","has coordinates,has disorder","301863","2025-08-22","13:06:29",""
"7203730","18.3353","0.001","7.6965","0.0004","12.7734","0.0007","90","","104.148","0.001","90","","1747.88","0.16","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C9 H19 Cl2 N2 Na O6 S Zn -","- C9 H19 Cl2 N2 Na O6 S Zn -","- C36 H76 Cl8 N8 Na4 O24 S4 Zn4 -","4","1","","Liang, Hong-Chang; Das, Sanjib K.; Galvan, Juan R.; Sato, Suzanne M.; Zhang, Yonglian; Zakharov, Lev N.; Rheingold, Arnold L.","Syntheses of water-soluble N-donor ligands for aqueous catalysis using green, Michael-type addition reactions","Green Chemistry","2005","7","6","410","","10.1039/b500264h","","","0.71073","MoKα","","0.0348","0.0302","","","0.0723","0.0745","","","","","","1.031","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203731","8.868","0.001","9.123","0.001","45.055","0.005","90","","94.413","0.001","90","","3634.3","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Ni(terpy)2](PF6)2.DMF","","","- C33 H29 F12 N7 Ni O P2 -","- C33 H29 F12 N7 Ni O P2 -","- C132 H116 F48 N28 Ni4 O4 P8 -","4","1","","McMurtrie, John; Dance, Ian","Engineering grids of metal complexes: development of the 2D M(terpy)2 embrace motif in crystals","CrystEngComm","2005","7","35","216","","10.1039/b500289c","","","0.71069","MoKα","","0.0602","0.0567","","","0.1471","0.1491","","","","","","1.117","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203732","8.7687","0.0017","8.9641","0.0018","44.959","0.009","90","","90","","90","","3533.9","1.2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H28 F12 N6 Ni O P2 -","- C33 H28 F12 N6 Ni O P2 -","- C132 H112 F48 N24 Ni4 O4 P8 -","4","1","","McMurtrie, John; Dance, Ian","Engineering grids of metal complexes: development of the 2D M(terpy)2 embrace motif in crystals","CrystEngComm","2005","7","35","216","","10.1039/b500289c","","","0.71073","MoKα","","0.0754","0.074","","","0.1807","0.1816","","","","","","1.161","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203733","8.668","0.005","9.278","0.006","20.214","0.009","78.8","0.04","78.24","0.04","87.93","0.03","1561.2","1.6","294","","","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H24 B2 F8 Fe N6 O3 -","- C30 H24 B2 F8 Fe N6 O3 -","- C60 H48 B4 F16 Fe2 N12 O6 -","2","1","","McMurtrie, John; Dance, Ian","Engineering the metal-terpy grid with complexes containing 4?-hydroxy terpyridine","CrystEngComm","2005","7","36","230","","10.1039/b500989h","","","0.71073","MoKα","","","0.053","","","","0.081","","","","","","1.95","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203734","8.7533","0.001","8.9226","0.001","19.8607","0.0023","90","0.005","99.557","0.005","90","0.005","1529.6","0.3","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","[Ru(terpy)(terpyOH)](BF4)2.H2O","","- C30 H22 B2 F8 N6 O2 Ru -","- C30 H22 B2 F8 N6 O2 Ru -","- C60 H44 B4 F16 N12 O4 Ru2 -","2","1","","McMurtrie, John; Dance, Ian","Engineering the metal-terpy grid with complexes containing 4?-hydroxy terpyridine","CrystEngComm","2005","7","36","230","","10.1039/b500989h","","","0.71069","MoKα","","0.0406","0.0401","","","0.1094","0.1099","","","","","","1.065","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203735","8.737","0.002","9.345","0.003","20.224","0.005","78.64","0.02","78.32","0.02","87.73","0.02","1585.4","0.8","294","","","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H24 B2 F8 N6 O3 Ru -","- C30 H24 B2 F8 N6 O3 Ru -","- C60 H48 B4 F16 N12 O6 Ru2 -","2","1","","McMurtrie, John; Dance, Ian","Engineering the metal-terpy grid with complexes containing 4?-hydroxy terpyridine","CrystEngComm","2005","7","36","230","","10.1039/b500989h","","","0.71073","MoKα","","","0.041","","","","0.067","","","","","","1.8","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203736","8.806","0.002","9.047","0.001","20.163","0.004","90","","98.38","0.01","90","","1589.2","0.5","294","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H24 B2 Cu F8 N6 O3 -","- C30 H21 B2 Cu F8 N6 O3 -","- C60 H42 B4 Cu2 F16 N12 O6 -","2","1","","McMurtrie, John; Dance, Ian","Engineering the metal-terpy grid with complexes containing 4?-hydroxy terpyridine","CrystEngComm","2005","7","36","230","","10.1039/b500989h","","","0.71073","MoKα","","","0.051","","","","0.068","","","","","","1.27","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203737","8.774","0.003","8.871","0.002","38.795","0.009","90","","90","","90","","3019.6","1.4","294","","","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H22 B2 F8 N6 Ni O2 -","- C30 H20 B2 F8 N6 Ni O2 -","- C120 H80 B8 F32 N24 Ni4 O8 -","4","1","","McMurtrie, John; Dance, Ian","Engineering the metal-terpy grid with complexes containing 4?-hydroxy terpyridine","CrystEngComm","2005","7","36","230","","10.1039/b500989h","","","0.71073","MoKα","","","0.046","","","","0.058","","","","","","1.97","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203742","6.6875","0.0006","12.1818","0.0012","12.3924","0.0012","90","","90","","90","","1009.56","0.17","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 O S2 -","- C10 H12 O S2 -","- C40 H48 O4 S8 -","4","1","","Ganguly, Nemai C.; Datta, Mrityunjoy; Ghosh, Kumaresh; Bond, Andrew D.","Non-bonded O?S contacts and O?H?S hydrogen bonds in isomeric hydroxyphenyl-1,3-dithianes","CrystEngComm","2005","7","34","210","","10.1039/b501481f","","","0.71073","MoKα","","0.0233","0.022","","","0.058","0.0585","","","","","","1.089","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203743","14.5782","0.0007","5.4156","0.0003","13.0424","0.0007","90","","104.479","0.001","90","","996.99","0.09","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 O S2 -","- C10 H12 O S2 -","- C40 H48 O4 S8 -","4","1","","Ganguly, Nemai C.; Datta, Mrityunjoy; Ghosh, Kumaresh; Bond, Andrew D.","Non-bonded O?S contacts and O?H?S hydrogen bonds in isomeric hydroxyphenyl-1,3-dithianes","CrystEngComm","2005","7","34","210","","10.1039/b501481f","","","0.71073","MoKα","","0.0359","0.0306","","","0.0815","0.084","","","","","","1.064","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203744","8.5479","0.0008","15.9729","0.0014","9.6655","0.0008","90","","110.722","0.002","90","","1234.3","0.19","130","2","130","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","binicotinic acid dihydrate","","","- C12 H12 N2 O6 -","- C12 H12 N2 O6 -","- C48 H48 N8 O24 -","4","1","","Custelcean, Radu; Gorbunova, Maryna G.","Protonation-assisted spontaneous resolution: formation of a homochiral 2D interpenetrated hydrogen-bonded network from 4,4?-binicotinic acid under highly acidic conditions","CrystEngComm","2005","7","49","297","","10.1039/b501901j","","","0.71073","MoKα","","0.04","0.0368","","","0.1054","0.1092","","","","","","1.064","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7203745","10.665","0.006","6.222","0.003","11.579","0.006","90","","116.74","0.009","90","","686.2","0.6","173","2","173","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","binicotinic acid hydrochloride dihydrate","","","- C12 H13 Cl N2 O6 -","- C12 H13 Cl N2 O6 -","- C24 H26 Cl2 N4 O12 -","2","0.5","","Custelcean, Radu; Gorbunova, Maryna G.","Protonation-assisted spontaneous resolution: formation of a homochiral 2D interpenetrated hydrogen-bonded network from 4,4?-binicotinic acid under highly acidic conditions","CrystEngComm","2005","7","49","297","","10.1039/b501901j","","","0.71073","MoKα","","0.0517","0.0471","","","0.1202","0.1229","","","","","","1.166","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203746","12.9485","0.0018","5.9793","0.0008","8.6189","0.0012","90","","96.16","0.002","90","","663.45","0.16","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","binicotinic acid dihydrochloride","","","- C12 H10 Cl2 N2 O4 -","- C12 H10 Cl2 N2 O4 -","- C24 H20 Cl4 N4 O8 -","2","0.5","","Custelcean, Radu; Gorbunova, Maryna G.","Protonation-assisted spontaneous resolution: formation of a homochiral 2D interpenetrated hydrogen-bonded network from 4,4?-binicotinic acid under highly acidic conditions","CrystEngComm","2005","7","49","297","","10.1039/b501901j","","","0.71073","MoKα","","0.0243","0.0242","","","0.0636","0.0637","","","","","","1.07","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203749","10.815","0.002","9.4999","0.0019","35.478","0.007","90","","90","","90","","3645.1","1.2","243","2","243","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Diammine-silver(i)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi- 2-naphthol)-dihydrate-methanol","Diammine-silver(I)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi-2-naphthol)- dihydrate-methanol","","- C41 H41 Ag N2 O7 -","- C41 H41 Ag N2 O7 -","- C164 H164 Ag4 N8 O28 -","4","1","","Paul, Barbara; Näther, Christian; Fromm, Katharina M.; Janiak, Christoph","Chiral S-1,1′-bi-2-naphthol (S-BINOL) as a synthon for supramolecular hydrogen-bonded {(S-BINOLATn–)(S-BINOL)n}-strands with naphthyl-paneled cavities or channels for a Cd(NH3)4-fragment (n= 2) or [Ag(NH3)2]+(n= 1). Part 2","CrystEngComm","2005","7","51","309","","10.1039/b502202a","","","0.71073","MoKα","","0.0669","0.0368","","","0.064","0.0707","","","","","","0.935","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203750","24.024","0.006","10.689","0.002","10.982","0.002","90","","108.657","0.004","90","","2671.9","1","243","2","243","2","","","","","","","","5","C 1 2 1","C 2y","5","(tetraammine-kappa$2!O,O'-((S)-1,1'-bi-2-naphtholate(2- ))cadmium(ii))-bis((S)-1,1'-bi-2-naphthol)hydrate-bis(methanol)","[tetraammine-κ^2^O,O'-((S)-1,1'-bi-2-naphtholate(2-))cadmium(II)]- bis((S)-1,1'-bi-2-naphthol)hydrate-bis(methanol)","","- C62 H62 Cd N4 O9 -","- C62 H62 Cd N4 O9 -","- C124 H124 Cd2 N8 O18 -","2","0.5","","Paul, Barbara; Näther, Christian; Fromm, Katharina M.; Janiak, Christoph","Chiral S-1,1′-bi-2-naphthol (S-BINOL) as a synthon for supramolecular hydrogen-bonded {(S-BINOLATn–)(S-BINOL)n}-strands with naphthyl-paneled cavities or channels for a Cd(NH3)4-fragment (n= 2) or [Ag(NH3)2]+(n= 1). Part 2","CrystEngComm","2005","7","51","309","","10.1039/b502202a","","","0.71073","MoKα","","0.0308","0.0269","","","0.0454","0.0467","","","","","","0.93","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203751","9.373","0.003","10.796","0.003","18.074","0.005","78.215","0.005","81.104","0.005","89.636","0.005","1768.2","0.9","243","2","243","2","","","","","","","","5","P 1","P 1","1","Diammine-silver(i)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi- 2-naphthol)-ethanol","Diammine-silver(I)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi-2-naphthol)- ethanol","","- C42 H39 Ag N2 O5 -","- C42 H39 Ag N2 O5 -","- C84 H78 Ag2 N4 O10 -","2","2","","Paul, Barbara; Näther, Christian; Fromm, Katharina M.; Janiak, Christoph","Chiral S-1,1′-bi-2-naphthol (S-BINOL) as a synthon for supramolecular hydrogen-bonded {(S-BINOLATn–)(S-BINOL)n}-strands with naphthyl-paneled cavities or channels for a Cd(NH3)4-fragment (n= 2) or [Ag(NH3)2]+(n= 1). Part 2","CrystEngComm","2005","7","51","309","","10.1039/b502202a","","","0.71073","MoKα","","0.1471","0.0594","","","0.1082","0.1335","","","","","","0.883","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203752","9.3931","0.0016","10.8023","0.0018","18.105","0.003","78.274","0.003","81.002","0.003","89.577","0.003","1776","0.5","243","2","243","2","","","","","","","","5","P 1","P 1","1","Diammine-silver(i)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi- 2-naphthol)-ethanol","Diammine-silver(I)((S)-1,1'-bi-2-naphtholate(-))((S)-1,1'-bi-2-naphthol)- ethanol","","- C42 H39 Ag N2 O5 -","- C42 H39 Ag N2 O5 -","- C84 H78 Ag2 N4 O10 -","2","2","","Paul, Barbara; Näther, Christian; Fromm, Katharina M.; Janiak, Christoph","Chiral S-1,1′-bi-2-naphthol (S-BINOL) as a synthon for supramolecular hydrogen-bonded {(S-BINOLATn–)(S-BINOL)n}-strands with naphthyl-paneled cavities or channels for a Cd(NH3)4-fragment (n= 2) or [Ag(NH3)2]+(n= 1). Part 2","CrystEngComm","2005","7","51","309","","10.1039/b502202a","","","0.71073","MoKα","","0.1041","0.0498","","","0.0667","0.0794","","","","","","0.924","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203753","17.856","0.002","20.231","0.002","7.0472","0.0007","90","","103.15","0.002","90","","2479","0.4","150","2","150","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C5.75 H4.38 Cl2.5 Co0.75 N4.13 -","- C5 H3 Cl1.5 Co0.75 N4 -","- C40 H24 Cl12 Co6 N32 -","8","1","","Oxtoby, Neil S.; Champness, Neil R.; Wilson, Claire","Cobalt and cadmium coordination polymers formed with the multimodal ligand 3,6-di-pyrazin-2-yl-(1,2,4,5)-tetrazine","CrystEngComm","2005","7","46","284","","10.1039/b502209f","","","0.71073","MoKα","","0.0455","0.0359","","","0.0874","0.0894","","","","","","0.954","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203754","18.0112","0.0016","6.3741","0.0006","13.9426","0.0013","90","","109.359","0.002","90","","1510.2","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cd(NO3)2(DPZTZ)","Cadmium (II) nitrate 3,6-Di-2-pyrazyl-1,2,4,5-tetrazine","","- C10 H6 Cd N10 O6 -","- C10 H6 Cd N10 O6 -","- C40 H24 Cd4 N40 O24 -","4","0.5","","Oxtoby, Neil S.; Champness, Neil R.; Wilson, Claire","Cobalt and cadmium coordination polymers formed with the multimodal ligand 3,6-di-pyrazin-2-yl-(1,2,4,5)-tetrazine","CrystEngComm","2005","7","46","284","","10.1039/b502209f","","","0.71073","MoKα","","0.0257","0.0208","","","0.046","0.0484","","","","","","1.05","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203755","19.1098","0.0008","19.1098","0.0008","10.2052","0.0006","90","","90","","120","","3227.5","0.3","90","2","90","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","ca.02.b33.1","","","- C24 H21 O6 P -","- C24 H21 O6 P -","- C144 H126 O36 P6 -","6","0.333333","","Ablan, Christopher D.; Sheppard, Daniel; Beckman, Eric J.; Olmstead, Marilyn M.; Jessop, Philip G.","Solubility of several analogues of triphenylphosphine in carbon dioxide","Green Chemistry","2005","7","8","590","","10.1039/b502442k","","","0.71073","MoKα","","0.0421","0.0399","","","0.1046","0.1066","","","","","","1.067","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203756","29.649","0.006","21.016","0.004","12.252","0.003","90","","92.14","0.03","90","","7629","3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C76 H44 N18 O0.96 Zn2 -","- C76 H44 N18 O0.961 Zn2 -","- C304 H176 N72 O3.844 Zn8 -","4","1","","Zeng, Qingdao; Wu, Dongxia; Wang, Chen; Lu, Jun; Ma, Baocheng; Shu, Chunying; Ma, Hongwei; Li, Yan; Bai, Chunli","Bipyridine conformations control the solid-state supramolecular chemistry of zinc(ii) phthalocyanine with bipyridines","CrystEngComm","2005","7","38","243","","10.1039/b502587g","","","0.71073","MoKα","","0.1197","0.0818","","","0.205","0.2265","","","","","","0.951","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203757","10.886","0.002","12.317","0.003","14.535","0.003","65.05","0.03","76.62","0.03","70.07","0.03","1652.4","0.8","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H56 N20 O2 Zn2 -","- C82 H56 N20 O2 Zn2 -","- C82 H56 N20 O2 Zn2 -","1","0.5","","Zeng, Qingdao; Wu, Dongxia; Wang, Chen; Lu, Jun; Ma, Baocheng; Shu, Chunying; Ma, Hongwei; Li, Yan; Bai, Chunli","Bipyridine conformations control the solid-state supramolecular chemistry of zinc(ii) phthalocyanine with bipyridines","CrystEngComm","2005","7","38","243","","10.1039/b502587g","","","0.71073","MoKα","","0.0643","0.043","","","0.1011","0.1089","","","","","","0.904","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203758","9.2854","0.0019","20.135","0.004","18.572","0.004","90","","90.15","0.03","90","","3472.2","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H30 N10 Zn -","- C45 H30 N10 Zn -","- C180 H120 N40 Zn4 -","4","1","","Zeng, Qingdao; Wu, Dongxia; Wang, Chen; Lu, Jun; Ma, Baocheng; Shu, Chunying; Ma, Hongwei; Li, Yan; Bai, Chunli","Bipyridine conformations control the solid-state supramolecular chemistry of zinc(ii) phthalocyanine with bipyridines","CrystEngComm","2005","7","38","243","","10.1039/b502587g","","","0.71073","MoKα","","0.1505","0.0872","","","0.2524","0.2878","","","","","","1.06","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203759","14.169","0.0008","6.451","0.0004","15.238","0.0011","90","","110.614","0.002","90","","1303.64","0.15","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4,5-dicyano-2,7-dinitrofluorenone","","","- C15 H4 N4 O5 -","- C15 H4 N4 O5 -","- C60 H16 N16 O20 -","4","1","","Sévignon, Marc; Macaud, Mathieu; Favre-Réguillon, Alain; Schulz, Jürgen; Rocault, Muriel; Faure, René; Vrinat, Michel; Lemaire, Marc","Ultra-deep desulfurization of transportation fuels via charge-transfer complexes under ambient conditions","Green Chemistry","2005","7","6","413","","10.1039/b502672e","","","0.7107","MoKα","","0.0906","0.054","","","0.1332","0.1553","","","","","","1.042","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203760","7.731","0.0004","15.143","0.0009","21.152","0.0014","90","","98.189","0.002","90","","2451","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H16 N4 O5 S -","- C29 H16 N4 O5 S -","- C116 H64 N16 O20 S4 -","4","1","","Sévignon, Marc; Macaud, Mathieu; Favre-Réguillon, Alain; Schulz, Jürgen; Rocault, Muriel; Faure, René; Vrinat, Michel; Lemaire, Marc","Ultra-deep desulfurization of transportation fuels via charge-transfer complexes under ambient conditions","Green Chemistry","2005","7","6","413","","10.1039/b502672e","","","0.7107","MoKα","","0.1471","0.0677","","","0.1599","0.2079","","","","","","0.986","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203761","10.366","0.0002","16.072","0.0005","8.312","0.0002","90","","103.372","0.0018","90","","1347.26","0.06","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4,5-dibromo-2,7-dinitrofluorenone","","","- C13 H4 Br2 N2 O5 -","- C13 H4 Br2 N2 O5 -","- C52 H16 Br8 N8 O20 -","4","1","","Sévignon, Marc; Macaud, Mathieu; Favre-Réguillon, Alain; Schulz, Jürgen; Rocault, Muriel; Faure, René; Vrinat, Michel; Lemaire, Marc","Ultra-deep desulfurization of transportation fuels via charge-transfer complexes under ambient conditions","Green Chemistry","2005","7","6","413","","10.1039/b502672e","","","0.7107","MoKα","","0.1155","0.0631","","","0.1283","0.144","","","","","","1.064","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203765","15.754","0.004","26.877","0.007","19.244","0.005","90","","90.065","0.004","90","","8148","4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H74 Co2 N16 O7 S4 -","- C82 H74 Co2 N16 O7 S4 -","- C328 H296 Co8 N64 O28 S16 -","4","1","","Halder, Gregory J.; Neville, Suzanne M.; Kepert, Cameron J.","A highly distorted (10,3)-a coordination framework constructed from alternating T-shaped and trigonal nodes","CrystEngComm","2005","7","42","266","","10.1039/b503352g","","","0.71073","MoKα","","0.0665","0.0543","","","0.1389","0.151","","","","","","1.063","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203766","15.772","0.005","26.984","0.008","19.254","0.006","90","","90.019","0.005","90","","8194","4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H74 Fe2 N16 O7 S4 -","- C82 H74 Fe2 N16 O7 S4 -","- C328 H296 Fe8 N64 O28 S16 -","4","1","","Halder, Gregory J.; Neville, Suzanne M.; Kepert, Cameron J.","A highly distorted (10,3)-a coordination framework constructed from alternating T-shaped and trigonal nodes","CrystEngComm","2005","7","42","266","","10.1039/b503352g","","x-ray","0.71073","MoKα","","0.1089","0.0577","","","0.1278","0.1608","","","","","","1.037","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203776","7.811","0.003","11.056","0.002","8.938","0.001","90","","98.02","0.02","90","","764.3","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 N4 Zn -","- C14 H14 Cl2 N4 Zn -","- C28 H28 Cl4 N8 Zn2 -","2","1","","Balamurugan, V.; Mukherjee, Rabindranath","Homochiral 1D-helical metal‒organic frameworks from achiral components. Formation of chiral channel via C‒H⋯Cl interaction","CrystEngComm","2005","7","54","337","","10.1039/b503583j","","","0.71073","MoKα","","0.0738","0.0353","","","0.0725","0.0809","","","","","","1.035","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203777","7.6924","0.0006","10.9917","0.0008","8.9403","0.0007","90","","97.213","0.001","90","","749.94","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 N4 Zn -","- C14 H14 Cl2 N4 Zn -","- C28 H28 Cl4 N8 Zn2 -","2","1","","Balamurugan, V.; Mukherjee, Rabindranath","Homochiral 1D-helical metal‒organic frameworks from achiral components. Formation of chiral channel via C‒H⋯Cl interaction","CrystEngComm","2005","7","54","337","","10.1039/b503583j","","","0.71073","MoKα","","0.0223","0.0222","","","0.0578","0.0579","","","","","","1.081","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203778","7.701","0.003","10.977","0.002","8.943","0.005","90","","97.15","0.02","90","","750.1","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 Co N4 -","- C14 H14 Cl2 Co N4 -","- C28 H28 Cl4 Co2 N8 -","2","1","","Balamurugan, V.; Mukherjee, Rabindranath","Homochiral 1D-helical metal‒organic frameworks from achiral components. Formation of chiral channel via C‒H⋯Cl interaction","CrystEngComm","2005","7","54","337","","10.1039/b503583j","","","0.71073","MoKα","","0.0292","0.0286","","","0.0712","0.0716","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203779","8.989","0.0012","9.8015","0.0013","11.403","0.002","112.076","0.002","94.424","0.002","108.021","0.002","863.8","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H32 N2 Ni O4 P2 S4 -","- C34 H32 N2 Ni O4 P2 S4 -","- C34 H32 N2 Ni O4 P2 S4 -","1","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Champness, Neil R.; De Pasquale, Monica; Devillanova, Francesco A.; Isaia, Francesco; Lippolis, Vito; Oxtoby, Neil S.; Wilson, Claire","Synthesis and structural characterisation of coordination polymers designed using discrete phosphonodithioato NiII complexes and dipyridyl donor ligands","CrystEngComm","2005","7","60","363","","10.1039/b503597j","","","0.71073","MoKα","","0.0567","0.037","","","0.0814","0.0908","","","","","","1.072","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203780","7.4357","0.001","9.7115","0.0013","12.026","0.002","70.913","0.002","81.101","0.002","80.143","0.002","804","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H28 N6 Ni O4 P2 S4 -","- C28 H28 N6 Ni O4 P2 S4 -","- C28 H28 N6 Ni O4 P2 S4 -","1","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Champness, Neil R.; De Pasquale, Monica; Devillanova, Francesco A.; Isaia, Francesco; Lippolis, Vito; Oxtoby, Neil S.; Wilson, Claire","Synthesis and structural characterisation of coordination polymers designed using discrete phosphonodithioato NiII complexes and dipyridyl donor ligands","CrystEngComm","2005","7","60","363","","10.1039/b503597j","","","0.71073","MoKα","","0.0329","0.0293","","","0.0719","0.0743","","","","","","0.986","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"7203781","6.9179","0.0009","10.7325","0.0014","12.898","0.002","66.496","0.002","86.813","0.002","89.574","0.002","876.7","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H32 N6 Ni O4 P2 S4 -","- C30 H32 N6 Ni O4 P2 S4 -","- C30 H32 N6 Ni O4 P2 S4 -","1","0.5","","Aragoni, M. Carla; Arca, Massimiliano; Champness, Neil R.; De Pasquale, Monica; Devillanova, Francesco A.; Isaia, Francesco; Lippolis, Vito; Oxtoby, Neil S.; Wilson, Claire","Synthesis and structural characterisation of coordination polymers designed using discrete phosphonodithioato NiII complexes and dipyridyl donor ligands","CrystEngComm","2005","7","60","363","","10.1039/b503597j","","","0.71073","MoKα","","0.0563","0.0374","","","0.0906","0.1007","","","","","","1.033","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7203782","16.113","0.003","4.2049","0.0009","28.34","0.006","90","","90","","90","","1920.1","0.7","150","2","150","2","","","","","","","","7","P c c a","-P 2a 2ac","54","","","","- C10 H10 Au Br4 Cl I2 N2 -","- C10 H10 Au Br3.654 Cl1.346 I2 N2 -","- C40 H40 Au4 Br14.616 Cl5.384 I8 N8 -","4","0.5","","Zordan, Fiorenzo; Purver, Stephen L.; Adams, Harry; Brammer, Lee","Halometallate and halide ions: nucleophiles in competition for hydrogen bond and halogen bond formation in halopyridinium salts of mixed halide‒halometallate anions","CrystEngComm","2005","7","57","350","","10.1039/b503858h","","","0.71073","MoKα","","0.0915","0.0476","","","0.1134","0.1343","","","","","","1.034","","","","has coordinates,has disorder","180368","2020-10-21","18:00:00",""
"7203783","14.5518","0.0011","13.7363","0.001","14.6547","0.001","90","","92.389","0.001","90","","2926.8","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cl12 Fe2 N3 -","- C15 H15 Cl12 Fe2 N3 -","- C60 H60 Cl48 Fe8 N12 -","4","1","","Zordan, Fiorenzo; Purver, Stephen L.; Adams, Harry; Brammer, Lee","Halometallate and halide ions: nucleophiles in competition for hydrogen bond and halogen bond formation in halopyridinium salts of mixed halide‒halometallate anions","CrystEngComm","2005","7","57","350","","10.1039/b503858h","","","0.71073","MoKα","","0.0426","0.0324","","","0.0843","0.089","","","","","","1.031","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203784","14.583","0.011","13.96","0.01","14.695","0.011","90","","91.716","0.014","90","","2990","4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Br3 Cl9 Fe2 N3 -","- C15 H15 Br3 Cl9 Fe2 N3 -","- C60 H60 Br12 Cl36 Fe8 N12 -","4","1","","Zordan, Fiorenzo; Purver, Stephen L.; Adams, Harry; Brammer, Lee","Halometallate and halide ions: nucleophiles in competition for hydrogen bond and halogen bond formation in halopyridinium salts of mixed halide‒halometallate anions","CrystEngComm","2005","7","57","350","","10.1039/b503858h","","","0.71073","MoKα","","0.1413","0.0712","","","0.1691","0.2075","","","","","","0.909","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203785","9.894","0.002","21.852","0.004","11.64","0.002","90","","98.807","0.003","90","","2486.9","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cl10 N3 Pt -","- C15 H15 Cl10 N3 Pt -","- C60 H60 Cl40 N12 Pt4 -","4","1","","Zordan, Fiorenzo; Purver, Stephen L.; Adams, Harry; Brammer, Lee","Halometallate and halide ions: nucleophiles in competition for hydrogen bond and halogen bond formation in halopyridinium salts of mixed halide‒halometallate anions","CrystEngComm","2005","7","57","350","","10.1039/b503858h","","","0.71073","MoKα","","0.0502","0.0405","","","0.1259","0.1321","","","","","","1.086","","","","has coordinates","180368","2020-10-21","18:00:00",""
"7203787","21.1806","0.0015","21.1806","0.0015","5.6912","0.0006","90","","90","","120","","2211.1","0.3","100","2","100","2","","","","","","","","5","P 62","P 62","171","","","","- C12 H22 N Na O6 -","- C12 H22 N Na O6 -","- C72 H132 N6 Na6 O36 -","6","1","","Godinez-Salomon, Fernando; Hallen-Lopez, Jose M.; Höpfl, Herbert; Morales-Pacheco, Adela; Beltrán, Hiram I.; Zamudio-Rivera, Luis S.","Strecker intermediates as non-pollutant scavengers for cyanides","Green Chemistry","2005","7","10","716","","10.1039/b504406e","","","0.71073","MoKα","","0.0538","0.0533","","","0.1293","0.1297","","","","","","1.129","","","","has coordinates","288181","2023-12-08","12:50:43",""
"7203794","9.1213","0.0006","9.1213","0.0006","7.1103","0.0009","90","","90","","120","","512.31","0.08","100","2","100","2","","","","","","","","5","P 63","P 6c","173","","","","- C3 H15 N6 P S -","- C3 H15 N6 P S -","- C6 H30 N12 P2 S2 -","2","0.333333","","Chandrasekhar, Vadapalli; Azhakar, Ramachandran","A tubular architecture in a phosphorus based trihydrazide, {P(S)[N(CH3)NH2]3}","CrystEngComm","2005","7","56","346","","10.1039/b504753f","","","0.71073","MoKα","","0.0215","0.0213","","","0.0554","0.0555","","","","","","1.074","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203795","13.226","0.003","9.956","0.002","13.349","0.003","90","","90","","90","","1757.8","0.7","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C3 H15 N6 O P -","- C3 H15 N6 O P -","- C24 H120 N48 O8 P8 -","8","1","","Chandrasekhar, Vadapalli; Azhakar, Ramachandran","A tubular architecture in a phosphorus based trihydrazide, {P(S)[N(CH3)NH2]3}","CrystEngComm","2005","7","56","346","","10.1039/b504753f","","","0.71073","MoKα","","0.0378","0.0345","","","0.0931","0.0954","","","","","","1.039","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203796","10.0665","0.0004","16.6372","0.0007","10.5634","0.0003","90","","107.793","0.002","90","","1684.52","0.11","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Cl2 O -","- C20 H16 Cl2 O -","- C80 H64 Cl8 O4 -","4","1","","Zhang, Lijun; Wang, Shaowu; Sheng, Enhong; Zhou, Shuangliu","A solvent-free synthesis of α,α′-bis(substituted benzylidene) cycloalkanones catalyzed by lanthanide amides [(Me3Si)2N]3Ln(µ-Cl)Li(THF)3 under microwave irradiation","Green Chemistry","2005","7","9","683","","10.1039/b504890g","","","0.71073","MoKα","","0.0967","0.0707","","","0.1275","0.142","","","","","","1.187","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203823","13.848","0.016","9.052","0.012","17.146","0.021","90","","114.32","0.01","90","","1959","4","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C26 H20 O2 -","- C26 H20 O2 -","- C104 H80 O8 -","4","1","","Pedro D. Vaz; Mariela Nolasco; Nelson Fonseca; Ana M. Amado; António M. Amorim da Costa; Vitor Félix; Michael G. B. Drew; Brian J. Goodfellow; Paulo J. A. Ribeiro-Claro","C-H...O hydrogen bonding in 4-phenyl-benzaldehyde: a comprehensive crystallographic, spectroscopic and computational study.","Physical chemistry chemical physics : PCCP","2005","7","16","3027","3034","10.1039/b506834g","","","0.71073","MoKα","","0.2263","0.1055","","","0.2608","0.3264","","","","","","1.07","","","","has coordinates","301863","2025-08-22","13:06:29",""
"7203832","20.312","0.003","9.9902","0.0015","15.927","0.002","90","","108.289","0.002","90","","3068.7","0.8","150","2","150","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C18 H12 N2 S2 -","- C17.997 H12 N2 S1.99925 -","- C143.976 H96 N16 S15.994 -","8","4","","Smith, Christopher B.; Raston, Colin L.; Sobolev, Alexandre N.","Poly(ethyleneglycol)(PEG): a versatile reaction medium in gaining access to 4′-(pyridyl)-terpyridines","Green Chemistry","2005","7","9","650","","10.1039/b507581p","","","0.71073","MoKα","","0.0886","0.0738","","","0.1835","0.1981","","","","","","1.029","","","","has coordinates,has disorder","180369","2020-10-21","18:00:00",""
"7206357","18.2426","0.0005","18.2426","0.0005","8.5167","0.0003","90","","90","","90","","2834.29","0.15","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","I 41/a :2","-I 4ad","88","","","","- C29 H24 N4 O12 -","- C29 H24 N4 O12 -","- C116 H96 N16 O48 -","4","0.25","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular networks built from weakly interacting nitro-substituted pentaerythrityl tetraaryl ethers","CrystEngComm","2005","7","","158","160","10.1039/b500757g","","","1.54178","CuKα","","0.0684","0.0534","","","0.1279","0.1385","","","","","","1.071","","","","has coordinates","301863","2025-08-22","13:07:27",""
"7206358","12.114","0.0005","12.114","0.0005","8.9974","0.0005","90","","90","","90","","1320.36","0.11","223","2","223","2","","","","","","","Synthesized by the authors. See text","5","P -4","P -4","81","","","","- C59 H52 N4 O14 S2 -","- C59 H52 N4 O14 S2 -","- C59 H52 N4 O14 S2 -","1","0.25","","Dominic Laliberté; Thierry Maris; James D. Wuest","Molecular networks built from weakly interacting nitro-substituted pentaerythrityl tetraaryl ethers","CrystEngComm","2005","7","","158","160","10.1039/b500757g","","","1.54178","CuKα","","0.0841","0.059","","","0.1703","0.1884","","","","","","0.959","","","","has coordinates,has disorder","180394","2020-10-21","18:00:00",""
"7216054","5.6534","0.0002","25.5246","0.0009","12.1459","0.0003","90","","94.31","0.002","90","","1747.71","0.1","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C84 H76 N12 O4 -","4","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Shardlow, Ellen J.","Polymorphs of 4′-(hex-5-ynyloxy)-2,2′:6′,2″-terpyridine: structural diversity arising from weak intermolecular interactions in the solid state","CrystEngComm","2005","7","98","599","","10.1039/b512066g","","","0.71073","MoKα","","0.0974","0.0595","","0.2981","0.0698","0.0698","","","","","","0.9646","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216055","35.6129","0.0012","5.4646","0.0002","20.5952","0.0007","90","","120.439","0.002","90","","3455.6","0.2","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C168 H152 N24 O8 -","8","1","","Constable, Edwin C.; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia; Shardlow, Ellen J.","Polymorphs of 4′-(hex-5-ynyloxy)-2,2′:6′,2″-terpyridine: structural diversity arising from weak intermolecular interactions in the solid state","CrystEngComm","2005","7","98","599","","10.1039/b512066g","","","0.71073","MoKα","","0.1034","0.0504","","0.0443","0.0326","0.0326","","","","","","1.2421","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216056","6.2231","0.0005","10.3057","0.0008","15.4812","0.0011","75.295","0.001","79.299","0.001","74.715","0.001","918.84","0.12","205","2","205","2","","","","","","","","5","P -1","-P 1","2","","2,2'-bi-1,6-naphthyridin-1,6,6'-ium-tetrachlorocobaltate(II) -chloride","","- C16 H13 Cl5 Co N4 -","- C16 H13 Cl5 Co N4 -","- C32 H26 Cl10 Co2 N8 -","2","1","","Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid","Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions","CrystEngComm","2005","7","106","633","","10.1039/b508944a","","","0.71073","MoKα","","0.032","0.0261","","","0.0657","0.0681","","","","","","1.031","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216057","19.004","0.016","12.519","0.011","19.141","0.018","90","","110.093","0.017","90","","4277","7","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4,4'-bipyridin-1,1'-ium bis(1,1'-binaphthalene-2,2'-diyl phosphate).2.5H2O","","- C50 H39 N2 O10.5 P2 -","- C50 H39 N2 O10.5 P2 -","- C200 H156 N8 O42 P8 -","4","1","","Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid","Hydrogen-bonding, π-stacking and Cl—anion–π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2– anions","CrystEngComm","2005","7","106","633","","10.1039/b508944a","","","0.71073","MoKα","","0.0609","0.0374","","","0.0898","0.0981","","","","","","0.933","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216058","4.9715","0.0019","9.162","0.004","10.233","0.004","109.757","0.007","92.325","0.007","98.082","0.007","432.4","0.3","207","2","207","2","","","","","","","","5","P -1","-P 1","2","6,6'-diisoquinolin-2,2'-ium dichloride dihydrate","6,6'-diisoquinolin-2,2'-ium dichloride dihydrate","","- C18 H18 Cl2 N2 O2 -","- C18 H18 Cl2 N2 O2 -","- C18 H18 Cl2 N2 O2 -","1","0.5","","Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid","Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions","CrystEngComm","2005","7","106","633","","10.1039/b508944a","","","0.71073","MoK\α","","0.1561","0.0686","","","0.1079","0.1355","","","","","","0.815","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216059","4.9382","0.0006","9.1344","0.0011","10.2335","0.0012","110.667","0.002","91.904","0.002","98.093","0.002","425.88","0.09","205","2","205","2","","","","","","","","5","P -1","-P 1","2","","2,2'-bi-1,6-naphthyridin-6,6'-ium-dichloride dihydrate","","- C16 H16 Cl2 N4 O2 -","- C16 H16 Cl2 N4 O2 -","- C16 H16 Cl2 N4 O2 -","1","0.5","","Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid","Hydrogen-bonding, π-stacking and Cl—anion‒π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2‒ anions","CrystEngComm","2005","7","106","633","","10.1039/b508944a","","","0.71073","MoKα","","0.0386","0.0334","","","0.0938","0.0976","","","","","","1.076","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216060","18.9374","0.0018","9.0233","0.0009","9.4739","0.0009","90","","92.801","0.002","90","","1616.9","0.3","205","2","205","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,4'-bipyridin-1,1'-ium bis(dihydrogenphosphate) dihydrate","","- C10 H18 N2 O10 P2 -","- C10 H18 N2 O10 P2 -","- C40 H72 N8 O40 P8 -","4","1","","Dorn, Thomas; Janiak, Christoph; Abu-Shandi, Khalid","Hydrogen-bonding, π-stacking and Cl—anion–π interactions of linear bipyridinium cations with phosphate, chloride and [CoCl4]2– anions","CrystEngComm","2005","7","106","633","","10.1039/b508944a","","","0.71073","MoKα","","0.0668","0.0409","","","0.1039","0.1148","","","","","","0.941","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216061","6.45","0.002","9.401","0.004","9.965","0.004","76.674","0.005","76.909","0.005","70.19","0.005","545.9","0.4","290","2","290","2","","","","","","","see text","5","P -1","-P 1","2","","","","- C8 H14 N4 O S -","- C8 H14 N4 O S -","- C16 H28 N8 O2 S2 -","2","1","","Chopra, Deepak; Mohan, T. P.; Rao, K. Sundaraja; Row, T. N. Guru","Exploring polymorphism by solvent mediation in potentially active herbicide Metribuzin: A subtle interplay of weak intermolecular interactions","CrystEngComm","2005","7","62","374","","10.1039/b504347f","","","0.71073","MoKα","","0.0612","0.055","","","0.1639","0.1735","","","","","","0.834","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216062","14.182","0.009","9.295","0.006","8.723","0.005","90","","104.309","0.01","90","","1114.2","1.2","290","2","290","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 N4 O S -","- C8 H14 N4 O S -","- C32 H56 N16 O4 S4 -","4","1","","Chopra, Deepak; Mohan, T. P.; Rao, K. Sundaraja; Row, T. N. Guru","Exploring polymorphism by solvent mediation in potentially active herbicide Metribuzin: A subtle interplay of weak intermolecular interactions","CrystEngComm","2005","7","62","374","","10.1039/b504347f","","","0.71073","MoKa","","0.0731","0.0569","","","0.1651","0.1838","","","","","","0.817","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216063","7.7407","0.0002","5.5405","0.0001","10.4926","0.0002","90","","103.643","0.001","90","","437.303","0.016","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-Oxauracil","3-Oxauracil","","- C4 H3 N O3 -","- C4 H3 N O3 -","- C16 H12 N4 O12 -","4","1","","Copley, Royston C. B.; Deprez, Lucie S.; Lewis, Thomas C.; Price, Sarah L.","Computational prediction and X-ray determination of the crystal structures of 3-oxauracil and 5-hydroxyuracil—an informal blind test","CrystEngComm","2005","7","69","421","","10.1039/b504756k","","","1.54178","CuKα","","0.0324","0.0299","","","0.0822","0.0849","","","","","","1.067","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216064","14.4737","0.0003","6.003","0.0001","6.3626","0.0001","90","","90","","90","","552.818","0.017","150","2","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","3-Oxauracil monohydrate","3-Oxauracil monohydrate","","- C4 H5 N O4 -","- C4 H5 N O4 -","- C16 H20 N4 O16 -","4","0.5","","Copley, Royston C. B.; Deprez, Lucie S.; Lewis, Thomas C.; Price, Sarah L.","Computational prediction and X-ray determination of the crystal structures of 3-oxauracil and 5-hydroxyuracil—an informal blind test","CrystEngComm","2005","7","69","421","","10.1039/b504756k","","","1.54178","CuKα","","0.0298","0.0298","","","0.0818","0.0819","","","","","","1.083","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216065","4.6195","0.0001","7.0493","0.0001","7.3452","0.0002","88.169","0.001","81.504","0.001","86.245","0.001","235.998","0.009","150","2","150","2","","","","","","","","4","P -1","-P 1","2","5-hydroxy-2,4(1H,3H)pyrimidinedione","5-hydroxy-2,4(1H,3H)pyrimidinedione","","- C4 H4 N2 O3 -","- C4 H4 N2 O3 -","- C8 H8 N4 O6 -","2","1","","Copley, Royston C. B.; Deprez, Lucie S.; Lewis, Thomas C.; Price, Sarah L.","Computational prediction and X-ray determination of the crystal structures of 3-oxauracil and 5-hydroxyuracil—an informal blind test","CrystEngComm","2005","7","69","421","","10.1039/b504756k","","","1.54178","CuKα","","0.0463","0.0409","","","0.1193","0.1236","","","","","","1.069","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216066","13.5662","0.0007","13.5662","0.0007","20.1867","0.0011","90","","90","","120","","3217.5","0.3","293","2","293","2","","","","","","","","9","P 63","P 6c","173","","","","- C48 H44 B Cu6 F4 I5 N12 O S6 -","- C48 H42 B Cu6 F4 I5 N12 O S6 -","- C96 H84 B2 Cu12 F8 I10 N24 O2 S12 -","2","0.333333","","Peng, Rong; Wu, Tao; Li, Dan","A chiral coordination polymer containing copper(i) iodide layer composed of intersecting [CuI]n helices","CrystEngComm","2005","7","97","595","","10.1039/b511708a","","","0.70173","MoKα","","0.0375","0.0335","","","0.0915","0.1001","","","","","","1.143","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216067","13.4415","0.0011","14.8653","0.0012","18.7182","0.0016","72.018","0.001","71.597","0.001","69.434","0.001","3239.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H29 Cl7 N8 O0.67 Zn -","- C41.3333 H25.3333 Cl4 N8 Zn -","- C124 H76 Cl12 N24 Zn3 -","3","1.5","","Ring, David J.; Aragoni, M. Carla; Champness, Neil R.; Wilson, Claire","A coordination polymer supramolecular isomer formed from a single building block: an unexpected porphyrin ribbon constructed from zinc(tetra(4-pyridyl)porphyrin)","CrystEngComm","2005","7","103","621","","10.1039/b515083n","","","0.71073","MoKα","","0.0825","0.0519","","","0.129","0.1404","","","","","","1.028","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216068","33.072","0.011","33.072","0.011","9.285","0.004","90","","90","","120","","8795","6","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C41.33 H25.33 Cl4 N8 Zn -","- C40 H24 N8 Zn -","- C360 H216 N72 Zn9 -","9","0.5","","Ring, David J.; Aragoni, M. Carla; Champness, Neil R.; Wilson, Claire","A coordination polymer supramolecular isomer formed from a single building block: an unexpected porphyrin ribbon constructed from zinc(tetra(4-pyridyl)porphyrin)","CrystEngComm","2005","7","103","621","","10.1039/b515083n","","","0.71073","MoKα","","0.1742","0.0804","","","0.1555","0.1775","","","","","","0.912","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216069","12.144","0.0002","12.253","0.0002","13.039","0.0003","94.872","0.002","111.431","0.002","110.706","0.002","1637.53","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H36 N14 Ni3 O20 S4 -","- C10 H36 N14 Ni3 O20 S4 -","- C20 H72 N28 Ni6 O40 S8 -","2","1","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","The structural influence of ligand coordination and hydrogen bonding capabilities in the crystal engineering of metal thiosemicarbazide compounds with malonate","CrystEngComm","2005","7","64","388","","10.1039/b505655a","","","0.71073","MoKα","","0.0971","0.0429","","","0.0802","0.0967","","","","","","0.983","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216070","7.139","0.0014","31.196","0.006","11.575","0.002","90","","93.865","0.01","90","","2572","0.8","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H34 N6 Ni2 O14 S2 -","- C12 H34 N6 Ni2 O14 S2 -","- C48 H136 N24 Ni8 O56 S8 -","4","1","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","The structural influence of ligand coordination and hydrogen bonding capabilities in the crystal engineering of metal thiosemicarbazide compounds with malonate","CrystEngComm","2005","7","64","388","","10.1039/b505655a","","","0.6941","","","0.1067","0.0701","","","0.118","0.1262","","","","","","1.146","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216071","13.711","0.002","10.2151","0.0015","18.702","0.003","90","","96.868","0.01","90","","2600.6","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H34 N10 Ni O9 S3 -","- C12 H34 N10 Ni O9 S3 -","- C48 H136 N40 Ni4 O36 S12 -","4","1","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","The structural influence of ligand coordination and hydrogen bonding capabilities in the crystal engineering of metal thiosemicarbazide compounds with malonate","CrystEngComm","2005","7","64","388","","10.1039/b505655a","","","0.6941","synchrotron","","0.0465","0.0353","","","0.0742","0.0763","","","","","","1.145","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216072","9.194","0.0005","11.037","0.0007","9.283","0.0006","90","","107.528","0.004","90","","898.25","0.1","170","2","170","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C4 H9 N3 O5 S Zn -","- C4 H9 N3 O5 S Zn -","- C16 H36 N12 O20 S4 Zn4 -","4","1","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","The structural influence of ligand coordination and hydrogen bonding capabilities in the crystal engineering of metal thiosemicarbazide compounds with malonate","CrystEngComm","2005","7","64","388","","10.1039/b505655a","","","0.71073","MoKα","","0.0317","0.0299","","","0.0778","0.0796","","","","","","1.086","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216073","7.355","0.0002","12.149","0.0002","16.809","0.0004","105.745","0.0009","96.956","0.002","104.237","0.002","1372.53","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H31 N11 O11 S3 Zn2 -","- C12 H31 N11 O11 S3 Zn2 -","- C24 H62 N22 O22 S6 Zn4 -","2","1","","Burrows, Andrew D.; Harrington, Ross W.; Mahon, Mary F.; Teat, Simon J.","The structural influence of ligand coordination and hydrogen bonding capabilities in the crystal engineering of metal thiosemicarbazide compounds with malonate","CrystEngComm","2005","7","64","388","","10.1039/b505655a","","","0.7107","MoKα","","0.0506","0.0335","","","0.07","0.0764","","","","","","1.018","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216074","8.973","0.002","13.598","0.003","15.883","0.004","90","","95.179","0.004","90","","1930.1","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cd N2 O6 -","- C20 H18 Cd N2 O6 -","- C80 H72 Cd4 N8 O24 -","4","1","","Li, F.; Ma, Z.; Wang, Y.-L.; Cao, R.; Bi, W.-H.; Li, X.","Exploring the synthesis of infinite helical chains with 2-carboxycinnamic acid","CrystEngComm","2005","7","92","569","","10.1039/b505920h","","","0.71073","MoKα","","0.038","0.0321","","","0.0747","0.0799","","","","","","1.008","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216075","22.723","0.005","13.317","0.003","14.967","0.003","90","","117.354","0.002","90","","4022.6","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 Cd N2 O6 -","- C22 H16 Cd N2 O6 -","- C176 H128 Cd8 N16 O48 -","8","1","","Li, F.; Ma, Z.; Wang, Y.-L.; Cao, R.; Bi, W.-H.; Li, X.","Exploring the synthesis of infinite helical chains with 2-carboxycinnamic acid","CrystEngComm","2005","7","92","569","","10.1039/b505920h","","","0.71073","MoKα","","0.0364","0.0343","","","0.0852","0.0866","","","","","","1.084","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216076","9.19","0.004","15.36","0.006","16.17","0.007","90","","99.11","0.005","90","","2253.7","1.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Cd N2 O6 -","- C23 H24 Cd N2 O6 -","- C92 H96 Cd4 N8 O24 -","4","1","","Li, F.; Ma, Z.; Wang, Y.-L.; Cao, R.; Bi, W.-H.; Li, X.","Exploring the synthesis of infinite helical chains with 2-carboxycinnamic acid","CrystEngComm","2005","7","92","569","","10.1039/b505920h","","","0.71073","MoKα","","0.0753","0.0591","","","0.1331","0.1444","","","","","","1.095","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216077","25.995","0.005","11.6819","0.0013","16.66","0.003","90","","125.584","0.006","90","","4114.4","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Cd N2 O8 -","- C20 H14 Cd N2 O6.5 -","- C160 H112 Cd8 N16 O52 -","8","1","","Li, F.; Ma, Z.; Wang, Y.-L.; Cao, R.; Bi, W.-H.; Li, X.","Exploring the synthesis of infinite helical chains with 2-carboxycinnamic acid","CrystEngComm","2005","7","92","569","","10.1039/b505920h","","","0.71073","MoKα","","0.0766","0.069","","","0.1666","0.1721","","","","","","1.091","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216078","36.412","0.004","36.412","0.004","36.412","0.004","90","","90","","90","","48276","9","293","2","293","2","","","","","","","","3","P n -3 n :2","-P 4a 2bc 3","222","","","","- C38 H51.12 O9.56 -","- C38 H44 O9.56083 -","- C1824 H2112 O458.92 -","48","1","","Tedesco, Consiglia; Immediata, Ivano; Gregoli, Luisa; Vitagliano, Luigi; Immirzi, Attilio; Neri, Placido","Interconnected water channels and isolated hydrophobic cavities in a calixarene-based, nanoporous supramolecular architecture","CrystEngComm","2005","7","73","449","","10.1039/b505375g","","","0.93931","synchrotron","","0.1046","0.104","","","0.3804","0.3841","","","","","","2.105","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216079","8.3237","0.0001","9.6149","0.0001","12.8717","0.0001","81.09","0.001","82.799","0.001","84.601","0.001","1006.75","0.018","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 N4 Ni O2 S2 -","- C18 H24 N4 Ni O2 S2 -","- C36 H48 N8 Ni2 O4 S4 -","2","1","","Hallale, Oren; Bourne, Susan A.; Koch, Klaus R.","Metallamacrocyclic complexes of Ni(ii) with 3,3,3?,3?-tetraalkyl-1,1?-aroylbis(thioureas): crystal and molecular structures of a 2 : 2 metallamacrocycle and a pyridine adduct of the analogous 3 : 3 complex","CrystEngComm","2005","7","25","161","","10.1039/b419468c","","","0.7107","MoKα","","0.0297","0.0246","","","0.0855","0.0924","","","","","","0.773","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216080","16.4822","0.0002","27.7131","0.0003","22.9061","0.0003","90","","95.793","0.001","90","","10409.5","0.2","173","2","173","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C198 H234 N36 Ni6 O12 S12 -","- C198 H234 N36 Ni6 O12 S12 -","- C396 H468 N72 Ni12 O24 S24 -","2","1","","Hallale, Oren; Bourne, Susan A.; Koch, Klaus R.","Metallamacrocyclic complexes of Ni(ii) with 3,3,3?,3?-tetraalkyl-1,1?-aroylbis(thioureas): crystal and molecular structures of a 2 : 2 metallamacrocycle and a pyridine adduct of the analogous 3 : 3 complex","CrystEngComm","2005","7","25","161","","10.1039/b419468c","","","0.7107","MoKα","","0.0869","0.0541","","","0.1188","0.1346","","","","","","1.003","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216081","9.2777","0.0011","9.9706","0.0012","13.3237","0.0016","79.104","0.002","83.541","0.002","86.798","0.002","1201.8","0.2","97","2","97","2","","","","","","","","7","P -1","-P 1","2","((Cu(mephenterpy))VO2(HO3PCH2CH2PO3))","[{Cu(mephenterpy)}VO2(HO3PCH2CH2PO3)]","","- C24 H22 Cu N3 O8 P2 V -","- C24 H22 Cu N3 O8 P2 V -","- C48 H44 Cu2 N6 O16 P4 V2 -","2","1","","Yucesan, Gundog; Yu, Min Hui; O'Connor, Charles J.; Zubieta, Jon","Structural consequences of the steric effects of the organoimine ligand in the oxovanadium‒organophosphonate/copper‒mephenterpy family of hybrid oxides (mephenterpy = 4′-(4-methyphenyl)-2,2′∶6′,2″-terpyridine)","CrystEngComm","2005","7","117","711","","10.1039/b511147a","","","0.71073","MoKα","","0.0782","0.0649","","","0.1793","0.1872","","","","","","1.074","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216082","13.4729","0.0014","14.4371","0.0015","14.7309","0.0015","76.621","0.002","65.738","0.002","77.775","0.002","2519.2","0.5","92","2","92","2","","","","","","","","7","P -1","-P 1","2","((Cu(mephenterpy))2V3O6(O3PCH2CH2PO3)(HO3PCH2CH2PO3))","","","- C48 H43 Cu2 N6 O18 P4 V3 -","- C48 H43 Cu2 N6 O18 P4 V3 -","- C96 H86 Cu4 N12 O36 P8 V6 -","2","1","","Yucesan, Gundog; Yu, Min Hui; O'Connor, Charles J.; Zubieta, Jon","Structural consequences of the steric effects of the organoimine ligand in the oxovanadium‒organophosphonate/copper‒mephenterpy family of hybrid oxides (mephenterpy = 4′-(4-methyphenyl)-2,2′∶6′,2″-terpyridine)","CrystEngComm","2005","7","117","711","","10.1039/b511147a","","","0.71073","MoKα","","0.0783","0.0663","","","0.1382","0.1453","","","","","","1.091","","","","has coordinates,has disorder","180491","2020-10-21","18:00:00",""
"7216083","8.9849","0.0011","11.2108","0.0011","13.6744","0.0019","74.024","0.002","81.549","0.002","80.035","0.001","1297","0.3","96","2","96","2","","","","","","","","7","P -1","-P 1","2","((Cu(mephenterpy))VO2(HO3PCH2CH2CH2PO3))","","","- C25 H24 Cu N3 O8 P2 V -","- C25 H24 Cu N3 O8 P2 V -","- C50 H48 Cu2 N6 O16 P4 V2 -","2","1","","Yucesan, Gundog; Yu, Min Hui; O'Connor, Charles J.; Zubieta, Jon","Structural consequences of the steric effects of the organoimine ligand in the oxovanadium‒organophosphonate/copper‒mephenterpy family of hybrid oxides (mephenterpy = 4′-(4-methyphenyl)-2,2′∶6′,2″-terpyridine)","CrystEngComm","2005","7","117","711","","10.1039/b511147a","","","0.71073","MoKα","","0.0559","0.0447","","","0.1209","0.1272","","","","","","1.05","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216084","14.6527","0.0013","25.481","0.002","13.7823","0.0012","90","","106.866","0.002","90","","4924.5","0.7","95","2","95","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","((Cu(mephenterpy))2(V2O5)2(O3PCH2CH2CH2PO3))","","","- C23.5 H20 Cu N3 O8 P V2 -","- C23.5 H20 Cu N3 O8 P V2 -","- C188 H160 Cu8 N24 O64 P8 V16 -","8","1","","Yucesan, Gundog; Yu, Min Hui; O'Connor, Charles J.; Zubieta, Jon","Structural consequences of the steric effects of the organoimine ligand in the oxovanadium‒organophosphonate/copper‒mephenterpy family of hybrid oxides (mephenterpy = 4′-(4-methyphenyl)-2,2′∶6′,2″-terpyridine)","CrystEngComm","2005","7","117","711","","10.1039/b511147a","","","0.71073","MoKα","","0.0678","0.05","","","0.1071","0.1141","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216085","27.7564","0.0018","12.7861","0.0008","17.638","0.0012","90","","125.301","0.001","90","","5108.7","0.6","96","2","96","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(Cu(mephenterpy)(HO3PCH2CH2CH2CH2PO3H))","","","- C26 H29 Cu N3 O7 P2 -","- C26 H29 Cu N3 O7 P2 -","- C208 H232 Cu8 N24 O56 P16 -","8","1","","Yucesan, Gundog; Yu, Min Hui; O'Connor, Charles J.; Zubieta, Jon","Structural consequences of the steric effects of the organoimine ligand in the oxovanadium‒organophosphonate/copper‒mephenterpy family of hybrid oxides (mephenterpy = 4′-(4-methyphenyl)-2,2′∶6′,2″-terpyridine)","CrystEngComm","2005","7","117","711","","10.1039/b511147a","","","0.71073","MoKα","","0.0396","0.033","","","0.0815","0.0849","","","","","","1.047","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216086","14.923","0.003","14.426","0.003","7.544","0.002","90","","91.9","0.03","90","","1623.2","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 N2 O5 Zn -","- C20 H14 N2 O5 Zn -","- C80 H56 N8 O20 Zn4 -","4","0.5","","Bu, Xian-He; Tong, Ming-Liang; Li, Jian-Rong; Chang, Ho-Chol; Li, Li-Jun; Kitagawa, Susumu","Formation of 3D networks by H-bonding from novel trinuclear or 1D chain complexes of zinc(ii) and cadmium(ii) with isonicotinic acid analogues and the effects of π‒π stacking","CrystEngComm","2005","7","67","411","","10.1039/b506721a","","","0.71073","MoKα","","0.0518","0.0373","","","0.0956","0.1148","","","","","","1.01","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216087","19.997","0.002","19.997","0.002","19.997","0.002","90","","90","","90","","7996.4","1.4","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H75 N6 O19.5 Zn3 -","- C90 H72 N6 O19.5 Zn3 -","- C360 H288 N24 O78 Zn12 -","4","0.166667","","Bu, Xian-He; Tong, Ming-Liang; Li, Jian-Rong; Chang, Ho-Chol; Li, Li-Jun; Kitagawa, Susumu","Formation of 3D networks by H-bonding from novel trinuclear or 1D chain complexes of zinc(ii) and cadmium(ii) with isonicotinic acid analogues and the effects of π‒π stacking","CrystEngComm","2005","7","67","411","","10.1039/b506721a","","","0.71073","MoKα","","0.0553","0.0472","","","0.1293","0.1333","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216088","20.342","0.0005","20.342","0.0005","20.342","0.0005","90","","90","","90","","8417.5","0.4","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C90 H75 Cd3 N6 O19.5 -","- C90 H72 Cd3 N6 O19.5 -","- C360 H288 Cd12 N24 O78 -","4","0.166667","","Bu, Xian-He; Tong, Ming-Liang; Li, Jian-Rong; Chang, Ho-Chol; Li, Li-Jun; Kitagawa, Susumu","Formation of 3D networks by H-bonding from novel trinuclear or 1D chain complexes of zinc(ii) and cadmium(ii) with isonicotinic acid analogues and the effects of π‒π stacking","CrystEngComm","2005","7","67","411","","10.1039/b506721a","","","0.71073","MoKα","","0.0378","0.0318","","","0.0847","0.0872","","","","","","1.171","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216089","20.6146","0.0013","20.6146","0.0013","20.6146","0.0013","90","","90","","90","","8760.4","1","293","2","293","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C96 H85 Cd3 N6 O18.5 -","- C96 H84 Cd3 N6 O18.5 -","- C384 H336 Cd12 N24 O74 -","4","0.166667","","Bu, Xian-He; Tong, Ming-Liang; Li, Jian-Rong; Chang, Ho-Chol; Li, Li-Jun; Kitagawa, Susumu","Formation of 3D networks by H-bonding from novel trinuclear or 1D chain complexes of zinc(ii) and cadmium(ii) with isonicotinic acid analogues and the effects of π‒π stacking","CrystEngComm","2005","7","67","411","","10.1039/b506721a","","","0.71073","MoKα","","0.0579","0.035","","","0.076","0.0829","","","","","","1.083","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7216090","13.4837","0.0013","13.7172","0.0013","18.9414","0.0018","90","","87.155","0.003","90","","3499.1","0.6","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 Cu2 N5 O11 P3 V -","- C30 H23 Cu2 N5 O11 P3 V -","- C120 H92 Cu8 N20 O44 P12 V4 -","4","1","","Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon","Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety","CrystEngComm","2005","7","80","480","","10.1039/b506250k","","","0.71073","MoKα","","0.0878","0.0638","","","0.1098","0.1291","","","","","","1.062","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216091","17.2481","0.0012","26.2681","0.0019","11.0818","0.0008","90","","90","","90","","5020.9","0.6","90","2","87","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C11 H9 Cu0.5 N O5 P V -","- C11 H9 Cu0.5 N O5 P V -","- C176 H144 Cu8 N16 O80 P16 V16 -","16","1","","Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon","Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety","CrystEngComm","2005","7","80","480","","10.1039/b506250k","","","0.71073","MoKα","","0.0373","0.0354","","","0.0807","0.0816","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216092","8.0833","0.0007","11.5444","0.001","10.5565","0.0009","90","","108.335","0.002","90","","935.09","0.14","87","2","87","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C16 H13 Cu N2 O8 P2 V -","- C16 H13 Cu N2 O8 P2 V -","- C32 H26 Cu2 N4 O16 P4 V2 -","2","1","","Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon","Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety","CrystEngComm","2005","7","80","480","","10.1039/b506250k","","","0.71073","MoKα","","0.0316","0.0303","","","0.078","0.0788","","","","","","1.023","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216093","20.7505","0.001","45.726","0.002","6.0304","0.0003","90","","90","","90","","5721.9","0.5","101","2","101","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C11 H12 Cu2 N O8 P2 -","- C11 H12 Cu2 N O8 P2 -","- C176 H192 Cu32 N16 O128 P32 -","16","1","","Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon","Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety","CrystEngComm","2005","7","80","480","","10.1039/b506250k","","","0.71073","MoKα","","0.0367","0.0339","","","0.0716","0.0727","","","","","","1.097","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216094","9.7559","0.0009","13.8997","0.0013","19.7171","0.0018","101.657","0.002","93.949","0.002","110.477","0.002","2424.6","0.4","91","2","91","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H38 Cu2 N4 O15 P4 V2 -","- C48 H36 Cu2 N4 O15 P4 V2 -","- C96 H72 Cu4 N8 O30 P8 V4 -","2","1","","Yucesan, Gundog; Yu, Ming Hui; Ouellette, Wayne; O'Connor, Charles J.; Zubieta, Jon","Secondary metal‒ligand cationic subunits {ML}n+ as structural determinants in the oxovanadium/phenylphosphonate/{ML}n+ system, where {ML} is a Cu2+/organonitrogen moiety","CrystEngComm","2005","7","80","480","","10.1039/b506250k","","","0.71073","MoKα","","0.0738","0.0659","","","0.1846","0.1885","","","","","","1.138","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216095","14.87","0.001","25.446","0.001","8.275","0.002","90","","90","","90","","3131.1","0.8","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C8 H18 Cl3 N O Pb S2 -","- C8 H18 Cl3 N O Pb S2 -","- C64 H144 Cl24 N8 O8 Pb8 S16 -","8","1","","Aragoni, M. Carla; Arca, Massimiliano; Caltagirone, Claudia; Devillanova, Francesco A.; Demartin, Francesco; Garau, Alessandra; Isaia, Francesco; Lippolis, Vito","Inorganic‒organic hybrid materials: construction of the first polymeric channelled halometallate(ii) system","CrystEngComm","2005","7","88","544","","10.1039/b507499a","","","0.71073","MoKα","","0.054","0.0366","","","0.0896","0.0926","","","","","","1.037","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216096","15.393","0.004","15.393","0.004","6.6615","0.0014","90","","90","","120","","1366.9","0.6","153","2","153","2","","","","","","","","4","P 63","P 6c","173","","","","- C30 H24 N6 O6 -","- C24 H12 N6 O3 -","- C48 H24 N12 O6 -","2","0.333333","","Süss, Heike I.; Neels, Antonia; Hulliger, J.","2,4,6-Tris(4-cyanophenoxy)-1,3,5-triazine (CNPOT): Trigonal synthons in crystal engineering","CrystEngComm","2005","7","61","370","","10.1039/b507301d","","","0.71073","MoKα","","0.1142","0.0963","","","0.259","0.2771","","","","","","1.09","","","","has coordinates,has disorder","180491","2020-10-21","18:00:00",""
"7216097","24.842","0.002","18.1089","0.0017","10.8129","0.001","90","","107.213","0.001","90","","4646.4","0.7","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H36 N10 O6 Sn -","- C52 H36 N10 O6 Sn -","- C208 H144 N40 O24 Sn4 -","4","0.5","","Kim, Hee-Joon; Jo, Hwa Jin; Kim, Jaheon; Kim, Soo-Young; Kim, Dongwoo; Kim, Kimoon","Supramolecular self-assembly of tin(iv) porphyrin channels stabilizing single-file chains of water molecules","CrystEngComm","2005","7","68","417","","10.1039/b504841a","","","0.71073","MoKα","","0.053","0.0457","","","0.1259","0.1304","","","","","","1.07","","","","has coordinates","180491","2020-10-21","18:00:00",""
"7216098","6.1272","0.0008","7.262","0.001","45.252","0.006","90","","90","","90","","2013.5","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","","Xia, Wujiong; Scheffer, John R.; Patrick, Brian O.","Making use of crystallization-induced asymmetric transformations in solid state organic photochemistry: application to the enantioselective Yang photocyclization of endo-bicyclo[2.1.1]hexyl aryl ketones","CrystEngComm","2005","7","119","728","","10.1039/b514952e","","","0.71069","MoKα","","0.0601","0.0444","","","0.1085","0.1128","","","","","","1.062","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216099","6.212","0.001","7.213","0.002","44.481","0.009","90","","90","","90","","1993.1","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","","Xia, Wujiong; Scheffer, John R.; Patrick, Brian O.","Making use of crystallization-induced asymmetric transformations in solid state organic photochemistry: application to the enantioselective Yang photocyclization of endo-bicyclo[2.1.1]hexyl aryl ketones","CrystEngComm","2005","7","119","728","","10.1039/b514952e","","","0.71069","MoKα","","0.1165","0.0843","","","0.2254","0.2437","","","","","","1.074","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216100","6.1739","0.0008","7.1907","0.0009","44.763","0.007","90","","90","","90","","1987.2","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H27 N O3 -","- C23 H27 N O3 -","- C92 H108 N4 O12 -","4","1","","Xia, Wujiong; Scheffer, John R.; Patrick, Brian O.","Making use of crystallization-induced asymmetric transformations in solid state organic photochemistry: application to the enantioselective Yang photocyclization of endo-bicyclo[2.1.1]hexyl aryl ketones","CrystEngComm","2005","7","119","728","","10.1039/b514952e","","","0.71069","MoKα","","0.126","0.1161","","","0.2475","0.2515","","","","","","1.165","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216101","9.8663","0.0009","10.7948","0.0009","12.5957","0.0009","108.446","0.007","101.895","0.007","93.506","0.007","1233.66","0.19","293","2","293","2","","","","","","","","3","P -1","-P 1","2","N,N'-Bis(2-pyridyl)-1,4-diaminobenzene phenazine 1:4 complex","N,N'-Bis(2-pyridyl)-1,4-diaminobenzene phenazine 1:4 complex","","- C64 H46 N12 -","- C64 H46 N12 -","- C64 H46 N12 -","1","0.5","","Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz","Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines","CrystEngComm","2005","7","71","433","","10.1039/b503023d","","","1.54178","CuKα","","0.0515","0.0391","","","0.1042","0.1119","","","","","","1.035","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216102","7.1084","0.0005","12.7044","0.0007","20.4711","0.0012","86.329","0.005","81.084","0.005","77.767","0.005","1783.96","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","N,N'-Bis(2-pyridyl)-4,4'-oxybis(aminobenzene) phenazine 1:2 complex","N,N'-Bis(2-pyridyl)-4,4'-oxybis(aminobenzene) phenazine 1:2 complex","","- C46 H34 N8 O -","- C46 H34 N8 O -","- C92 H68 N16 O2 -","2","1","","Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz","Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines","CrystEngComm","2005","7","71","433","","10.1039/b503023d","","","0.71073","MoKα","","0.0738","0.055","","","0.126","0.1472","","","","","","1.108","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216103","14.1875","0.0008","8.7245","0.0005","23.006","0.0013","90","","101.831","0.005","90","","2787.2","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","N,N'-Bis(2-pyridyl)-4,4'-sulphonyldianiline phenazine 1:1 complex","N,N'-Bis(2-pyridyl)-4,4'-sulphonyldianiline phenazine 1:1 complex","","- C34 H26 N6 O2 S -","- C34 H26 N6 O2 S -","- C136 H104 N24 O8 S4 -","4","1","","Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz","Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines","CrystEngComm","2005","7","71","433","","10.1039/b503023d","","","0.71073","MoKα","","0.0645","0.0399","","","0.0858","0.095","","","","","","0.922","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216104","8.5174","0.0007","8.6054","0.0009","14.5408","0.0011","99.694","0.007","93.711","0.006","115.471","0.009","937.12","0.17","140","2","140","2","","","","","","","","3","P -1","-P 1","2","N,N'-Bis(2-pyridyl)-1,3-diamino-2-methylbenzene phenazine 2:1","N,N'-Bis(2-pyridyl)-1,3-diamino-2-methylbenzene phenazine 2:1","","- C23 H20 N5 -","- C23 H20 N5 -","- C46 H40 N10 -","2","1","","Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz","Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines","CrystEngComm","2005","7","71","433","","10.1039/b503023d","","","0.71073","MoKα","","0.0613","0.0475","","","0.1192","0.1285","","","","","","1.014","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216105","5.336","0.0008","10.8324","0.0017","11.4215","0.0017","66.689","0.015","78.508","0.012","81.096","0.013","592.02","0.17","293","2","293","2","","","","","","","","3","P -1","-P 1","2","N,N'-Diphenyl-1,4-diaminobenzene phenazine 1:1 complex","N,N'-Diphenyl-1,4-diaminobenzene phenazine 1:1 complex","","- C30 H24 N4 -","- C30 H24 N4 -","- C30 H24 N4 -","1","0.5","","Gdaniec, Maria; Bensemann, Igor; Połoński, Tadeusz","Interplay of hydrogen bonding and aromatic ring interactions in supramolecular complexes of phenazine with N,N′-bis(2-pyridyl)aryldiamines","CrystEngComm","2005","7","71","433","","10.1039/b503023d","","","0.71073","MoKα","","0.0768","0.055","","","0.128","0.1496","","","","","","1.114","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216106","8.4657","0.0017","9.1803","0.0018","12.904","0.003","95.69","0.03","99.32","0.03","112.12","0.03","902.6","0.4","113","2","113","2","","","","","","","","4","P -1","-P 1","2","9-(4-methoxyphenyl)-9H-xanthen-9-ol aniline clathrate","9-(4-methoxyphenyl)-9H-xanthen-9-ol aniline clathrate","","- C23 H19.5 N0.5 O3 -","- C23 H18 N0.5 O3 -","- C46 H36 N O6 -","2","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Taljaard, Jana H.","Inclusion compounds of isomeric xanthenol hosts with aniline","CrystEngComm","2005","7","120","731","","10.1039/b515436g","","","0.71073","MoKα","","0.1033","0.049","","","0.1296","0.1509","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7216107","13.501","0.003","8.8328","0.0018","17.207","0.003","90","","99.32","0.03","90","","2024.9","0.7","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","9-(3-methoxyphenyl)-9H-xanthen-9-ol aniline clathrate","9-(3-methoxyphenyl)-9H-xanthen-9-ol aniline clathrate","","- C26 H23 N O3 -","- C26 H23 N O3 -","- C104 H92 N4 O12 -","4","1","","Jacobs, Ayesha; Nassimbeni, Luigi R.; Taljaard, Jana H.","Inclusion compounds of isomeric xanthenol hosts with aniline","CrystEngComm","2005","7","120","731","","10.1039/b515436g","","","0.71073","MoKα","","0.0485","0.0368","","","0.0908","0.0976","","","","","","1.039","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216108","26.254","0.003","11.6963","0.0012","31.383","0.005","90","","114.6","0.03","90","","8762","3","90","2","90","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","(R,S)-2,2-bis-(4-pyridinoxy)-(4,4:6,6)-bis-(2',2''-dioxybiphenyl)cyclotri- phosphazene 1,4-diiodo-2,3,5,6-tetrafluorobenzene hemi-carbontetrachloride","","- C81 H48 Cl4 F8 I4 N10 O12 P6 -","- C81 H48 Cl4 F8 I4 N10 O12 P6 -","- C324 H192 Cl16 F32 I16 N40 O48 P24 -","4","0.5","","Bertani, Roberta; Ghedini, Elena; Gleria, Mario; Liantonio, Rosalba; Marras, Giovanni; Metrangolo, Pierangelo; Meyer, Franck; Pilati, Tullio; Resnati, Giuseppe","Cyclotriphosphazene [N3P3(2,2′-dioxybiphenyl)2-(4-pyridinoxy)2] and its halogen bonded complex with 1,4-diiodotetrafluorobenzene","CrystEngComm","2005","7","83","511","","10.1039/b507263h","","","0.71073","MoKα","","0.0255","0.0205","","","0.0564","0.0571","","","","","","1.024","","","","has coordinates,has disorder","301864","2025-08-22","15:14:35",""
"7216109","9.97","0.003","11.443","0.003","27.801","0.005","90","","94.14","0.03","90","","3163.4","1.4","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(R,S)-2,2-bis-(4-pyridinoxy)-(4,4:6,6)-bis-(2',2''-dioxybiphenyl)cyclotri- phosphazene","","- C34 H24 N5 O6 P3 -","- C34 H24 N5 O6 P3 -","- C136 H96 N20 O24 P12 -","4","1","","Bertani, Roberta; Ghedini, Elena; Gleria, Mario; Liantonio, Rosalba; Marras, Giovanni; Metrangolo, Pierangelo; Meyer, Franck; Pilati, Tullio; Resnati, Giuseppe","Cyclotriphosphazene [N3P3(2,2′-dioxybiphenyl)2-(4-pyridinoxy)2] and its halogen bonded complex with 1,4-diiodotetrafluorobenzene","CrystEngComm","2005","7","83","511","","10.1039/b507263h","","","0.71073","MoKα","","0.1203","0.0621","","","0.1324","0.1614","","","","","","1.009","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216110","10.3728","0.0002","6.6329","0.0001","20.0945","0.0004","90","","94.336","0.001","90","","1378.58","0.04","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Co(H2O)6)Br2 . 2(bpdo) . 2H2O","[Co(H2O)6]Br2 . 2(bpdo) . 2H2O","","- C20 H28 Br2 Co N4 O12 -","- C20 H28 Br2.01 Co N4 O12.01 -","- C40 H56 Br4.02 Co2 N8 O24.02 -","2","0.5","","Bourne, Susan A.; Moitsheki, Lesego J.","Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide","CrystEngComm","2005","7","112","674","","10.1039/b510684b","","","0.71073","MoKα","","0.0505","0.0439","","","0.1116","0.1138","","","","","","1.171","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216111","6.7328","0.0002","10.2841","0.0003","10.6577","0.0003","85.2","0.001","70.023","0.001","91.103","0.001","690.21","0.03","113","2","113","2","","","","","","","","6","P -1","-P 1","2","(Co(H2O)6)Cl2 . 2(bpdo) . 2(H2O)","[Co(H2O)6]Cl2 . 2(bpdo) . 2(H2O)","","- C20 H32 Cl2 Co N4 O12 -","- C20 H16 Cl2 Co N4 O12 -","- C20 H16 Cl2 Co N4 O12 -","1","0.5","","Bourne, Susan A.; Moitsheki, Lesego J.","Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide","CrystEngComm","2005","7","112","674","","10.1039/b510684b","","x-ray","0.7107","MoKα","","0.1552","0.1055","","","0.2736","0.3124","","","","","","1.102","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216112","19.149","0.003","19.149","0.003","13.917","0.003","90","","90","","90","","5103.1","1.6","113","2","113","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","(CoI2(H2O)4) . 2(bpdo)","","","- C20 H24 Co I2 N4 O8 -","- C20 H24 Co I2 N4 O8 -","- C160 H192 Co8 I16 N32 O64 -","8","0.25","","Bourne, Susan A.; Moitsheki, Lesego J.","Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide","CrystEngComm","2005","7","112","674","","10.1039/b510684b","","x-ray","0.71073","MoKα","","0.0338","0.0186","","","0.0399","0.0441","","","","","","1.023","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216113","7.8139","0.0002","9.9126","0.0003","17.1863","0.0005","78.607","0.001","83.46","0.001","85.615","0.001","1294.47","0.06","298","2","298","2","","","","","","","","5","P -1","-P 1","2","(Co(H2O)3(bpdo)(NO3)) NO3 . bpdo . H2O","[Co(H2O)3(bpdo)(NO3)] NO3 . bpdo . H2O","","- C20 H24 Co N6 O14 -","- C20 H16 Co N6 O14 -","- C40 H32 Co2 N12 O28 -","2","1","","Bourne, Susan A.; Moitsheki, Lesego J.","Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide","CrystEngComm","2005","7","112","674","","10.1039/b510684b","","x-ray","0.7107","MoKα","","0.1355","0.0704","","","0.1793","0.2094","","","","","","1.013","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216114","12.129","0.002","12.907","0.003","17.896","0.004","77.49","0.03","70.25","0.03","76.28","0.03","2532.9","1.1","113","2","113","2","","","","","","","","5","P -1","-P 1","2","(Co(H2O)3(bpdo)(NO3)) NO3 . bpdo . H2O","[Co(H2O)3(bpdo)(NO3)] NO3 . bpdo . H2O","","- C20 H24 Co N6 O14 -","- C20 H23 Co N6 O14 -","- C80 H92 Co4 N24 O56 -","4","2","","Bourne, Susan A.; Moitsheki, Lesego J.","Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide","CrystEngComm","2005","7","112","674","","10.1039/b510684b","","x-ray","0.71073","MoKα","","0.0896","0.0412","","","0.0913","0.1085","","","","","","1.017","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216115","7.122","0.001","25.319","0.005","10.241","0.002","90","","93.14","0.03","90","","1843.9","0.6","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Co(H2O)5(bpdo))SO4 . 2H2O","[Co(H2O)5(bpdo)]SO4 . 2H2O","","- C10 H22 Co N2 O13 S -","- C10 H22 Co N2 O13 S -","- C40 H88 Co4 N8 O52 S4 -","4","1","","Bourne, Susan A.; Moitsheki, Lesego J.","Anion dependent structural diversity in cobalt(ii) complexes of 4,4′-bipyridine-N,N′-dioxide","CrystEngComm","2005","7","112","674","","10.1039/b510684b","","x-ray","0.71073","MoKα","","0.0487","0.0369","","","0.0882","0.0932","","","","","","1.126","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216116","12.2972","0.0003","10.3781","0.0003","19.1675","0.0004","90","","103.598","0.002","90","","2377.62","0.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 Ag As F6 N2 -","- C8 H10 Ag As F6 N2 -","- C64 H80 Ag8 As8 F48 N16 -","8","1","","Pocic, David; Planeix, Jean-Marc; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Hosseini, Mir Wais","Molecular tectonics: on the role of counter-ions in the dimensionality of silver coordination networks","CrystEngComm","2005","7","104","624","","10.1039/b513138n","","","0.71073","MoKα","","0.0482","0.0306","","","0.0684","0.0733","","","","","","1.054","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216117","12.3792","0.0005","10.6135","0.0003","19.1059","0.0007","90","","101.732","0.002","90","","2457.82","0.15","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 Ag F6 N2 Sb -","- C8 H10 Ag F6 N2 Sb -","- C64 H80 Ag8 F48 N16 Sb8 -","8","1","","Pocic, David; Planeix, Jean-Marc; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Hosseini, Mir Wais","Molecular tectonics: on the role of counter-ions in the dimensionality of silver coordination networks","CrystEngComm","2005","7","104","624","","10.1039/b513138n","","","0.71073","MoKα","","0.0351","0.0259","","","0.0641","0.0667","","","","","","1.047","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216118","12.3034","0.0003","10.1981","0.0003","19.2165","0.0006","90","","105.077","0.001","90","","2328.12","0.12","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 Ag F6 N2 P -","- C8 H10 Ag F6 N2 P -","- C64 H80 Ag8 F48 N16 P8 -","8","1","","Pocic, David; Planeix, Jean-Marc; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Hosseini, Mir Wais","Molecular tectonics: on the role of counter-ions in the dimensionality of silver coordination networks","CrystEngComm","2005","7","104","624","","10.1039/b513138n","","","0.71073","MoKα","","0.0335","0.0261","","","0.0713","0.0756","","","","","","1.001","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216119","11.83","0.002","10.034","0.002","17.741","0.004","90","","90","","90","","2105.9","0.7","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H10 Ag B F4 N2 -","- C8 H10 Ag B F4 N2 -","- C64 H80 Ag8 B8 F32 N16 -","8","1","","Pocic, David; Planeix, Jean-Marc; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Hosseini, Mir Wais","Molecular tectonics: on the role of counter-ions in the dimensionality of silver coordination networks","CrystEngComm","2005","7","104","624","","10.1039/b513138n","","","0.71073","MoKα","","0.0292","0.0228","","","0.0595","0.0638","","","","","","1.02","","","","has coordinates,has disorder","180492","2020-10-21","18:00:00",""
"7216120","11.8146","0.0014","9.8538","0.0011","13.4621","0.0016","90","","102.271","0.003","90","","1531.4","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","triphelyn phosphite","triphelyn phosphite","","- C18 H15 O3 P -","- C18 H15 O3 P -","- C72 H60 O12 P4 -","4","1","","Golovanov, Denis G.; Lyssenko, Konstantin A.; Antipin, Mikhail Yu.; Vygodskii, Yakov S.; Lozinskaya, Elena I.; Shaplov, Alexander S.","Long-awaited polymorphic modification of triphenyl phosphite","CrystEngComm","2005","7","77","465","","10.1039/b505052a","","","0.71073","MoKα","","0.1099","0.0576","","","0.1071","0.1177","","","","","","1.058","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216125","3.641","0.005","9.363","0.014","17.51","0.03","90","","92.5","0.02","90","","596.4","1.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","guanidinium rhodizonate","","","- C8 H12 N6 O6 -","- C8 H12 N6 O6 -","- C16 H24 N12 O12 -","2","0.5","","Abrahams, Brendan F.; Haywood, Marissa G.; Robson, Richard","An unexpected network in guanidinium rhodizonate","CrystEngComm","2005","7","105","629","","10.1039/b513300a","","","0.71073","MoKα","","0.2317","0.0986","","","0.2223","0.2572","","","","","","0.826","","","","has coordinates","180492","2020-10-21","18:00:00",""
"7216126","7.334","0.0006","7.6604","0.0006","16.1964","0.0011","90","","95.632","0.002","90","","905.54","0.12","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 N2 O3 S -","- C8 H8 N2 O3 S -","- C32 H32 N8 O12 S4 -","4","1","","Ho, Soo Yei; Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Tiekink, Edward R. T.","Prevalence of the thioamide {⋯H–N–CS}2 synthon—solid-state (X-ray crystallography), solution (NMR) and gas-phase (theoretical) structures of O-methyl-N-aryl-thiocarbamides","CrystEngComm","2005","7","113","682","","10.1039/b514254g","","","0.71069","MoKα","","0.064","0.049","","","0.114","0.122","","","","","","1.06","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216127","5.6059","0.0008","7.9101","0.0011","11.9617","0.0013","99.223","0.003","101.517","0.003","100.21","0.004","500.87","0.11","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 N O2 S -","- C10 H11 N O2 S -","- C20 H22 N2 O4 S2 -","2","1","","Ho, Soo Yei; Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Tiekink, Edward R. T.","Prevalence of the thioamide {⋯H–N–CS}2 synthon—solid-state (X-ray crystallography), solution (NMR) and gas-phase (theoretical) structures of O-methyl-N-aryl-thiocarbamides","CrystEngComm","2005","7","113","682","","10.1039/b514254g","","","0.71069","MoKα","","0.087","0.069","","","0.211","0.221","","","","","","1.17","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216128","14.5243","0.001","7.7142","0.0006","17.276","0.0012","90","","110.56","0.002","90","","1812.4","0.2","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 Cl N O S -","- C8 H8 Cl N O S -","- C64 H64 Cl8 N8 O8 S8 -","8","2","","Ho, Soo Yei; Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Tiekink, Edward R. T.","Prevalence of the thioamide {⋯H–N–CS}2 synthon—solid-state (X-ray crystallography), solution (NMR) and gas-phase (theoretical) structures of O-methyl-N-aryl-thiocarbamides","CrystEngComm","2005","7","113","682","","10.1039/b514254g","","","0.71069","MoKα","","0.062","0.043","","","0.112","0.121","","","","","","1.04","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7216129","8.1538","0.0009","6.8174","0.0008","18.976","0.002","90","","97.586","0.003","90","","1045.6","0.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N O3 S -","- C10 H11 N O3 S -","- C40 H44 N4 O12 S4 -","4","1","","Ho, Soo Yei; Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Tiekink, Edward R. T.","Prevalence of the thioamide {⋯H–N–CS}2 synthon—solid-state (X-ray crystallography), solution (NMR) and gas-phase (theoretical) structures of O-methyl-N-aryl-thiocarbamides","CrystEngComm","2005","7","113","682","","10.1039/b514254g","","","0.71069","MoKα","","0.073","0.047","","","0.115","0.125","","","","","","0.96","","","","has coordinates","301864","2025-08-22","15:14:35",""
"7222855","4.56","","4.56","","4.56","","90","","90","","90","","94.819","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","Cu Br","","- Br Cu -","- Br Cu0.9996 -","- Br2 Cu1.9992 -","2","0.0416667","","Krug, J.; Sieg, L.","Die Struktur der Hochtemperatur-Modifikationen des Cu Br und Cu J","Zeitschrift fuer Naturforschung, Teil A. Physikalische Chemie, Kosmophysik (2,1947-32,1977)","1952","7","","369","371","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222856","4.06","","4.06","","6.66","","90","","90","","120","","95.073","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","Cu Br","","- Br Cu -","- Br Cu -","- Br2 Cu2 -","2","0.166667","","Krug, J.; Sieg, L.","Die Struktur der Hochtemperatur-Modifikationen des Cu Br und Cu J","Zeitschrift fuer Naturforschung, Teil A. Physikalische Chemie, Kosmophysik (2,1947-32,1977)","1952","7","","369","371","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222857","6.15","","6.15","","6.15","","90","","90","","90","","232.608","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Cu I -","- Cu I -","- Cu4 I4 -","4","0.0416667","","Krug, J.; Sieg, L.","Die Struktur der Hochtemperatur-Modifikationen des Cu Br und Cu J","Zeitschrift fuer Naturforschung, Teil A. Physikalische Chemie, Kosmophysik (2,1947-32,1977)","1952","7","","369","371","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222858","4.31","","4.31","","7.09","","90","","90","","120","","114.059","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Cu I -","- Cu I -","- Cu2 I2 -","2","0.166667","","Krug, J.; Sieg, L.","Die Struktur der Hochtemperatur-Modifikationen des Cu Br und Cu I","Zeitschrift fuer Naturforschung, Teil A. Physikalische Chemie, Kosmophysik (2,1947-32,1977)","1952","7","","369","371","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222931","6.03","","5.76","","9.76","","90","","90","","90","","338.992","","","","","","","","","","","","","2","I b a m","-I 2 2c","72","","Si Se2","","- Se2 Si -","- Se2 Si -","- Se8 Si4 -","4","0.25","","Weiss, A.","Die Kristallstruktur des Siliciumdiselenids","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1952","7","","483","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222961","9.76","","6.03","","5.76","","90","","90","","90","","338.992","","","","","","","","","","","","","2","I b a m","-I 2 2c","72","","Si Se2","","- Se2 Si -","- Se2 Si -","- Se8 Si4 -","4","0.25","","Weiss, A.","Die Kristallstruktur des Siliciumdiselenids","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1952","7","","483","484","","","","","","","","","","","","","","","","","","","","","","has coordinates","301865","2025-08-22","16:16:47",""
"7224785","22.5563","0.001","17.1001","0.001","11.3279","0.001","90","","108.512","0.01","90","","4143.3","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 Ag F6 N4 O0 Sb -","- C17 H15 Ag F6 N4 Sb -","- C136 H120 Ag8 F48 N32 Sb8 -","8","1","","Jiang, Ji-Jun; Li, Xiang-Ping; Zhang, Xue-Li; Kang, Bei-Sheng; Su, Cheng-Yong","A new Ag(I)-4,4'-bipyridine coordination polymer of honeycomb (6,3) networks containing a Ag~6~(4,4'-bipy)~6~ hexagonal ring of 17 ×26 Å dimensions","CrystEngComm","2005","7","99","603","607","10.1039/b512098e","","","0.71073","MoKα","","0.1841","0.0724","","","0.1153","0.1439","","","","","","1.008","","","","has coordinates","180919","2020-10-21","18:00:00",""
"7227318","6.4544","0.0017","14.483","0.004","15.512","0.004","90","","96.399","0.005","90","","1441","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F3 N O2 S -","- C15 H10 F3 N O2 S -","- C60 H40 F12 N4 O8 S4 -","4","1","","Zhao, Xian; Huang, Yangen; Qing, Feng-Ling; Xu, Xiu-Hua","Synthesis of aryl triflones by insertion of arynes into C–SO2CF3 bonds","RSC Adv.","2017","7","1","47","","10.1039/C6RA26429H","","","0.71073","MoKα","","0.058","0.0453","","","0.1156","0.124","","","","","","1.08","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227319","16.14371","0.00017","7.60048","0.00007","16.42538","0.00017","90","","99.4396","0.001","90","","1988.1","0.04","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 O5 -","- C25 H20 O5 -","- C100 H80 O20 -","4","1","","Biyogo, Alex Meye; Curti, Christophe; El-Kashef, Hussein; Khoumeri, Omar; Terme, Thierry; Vanelle, Patrice","Mn(OAc)3 catalyzed intermolecular oxidative peroxycyclization of naphthoquinone","RSC Adv.","2017","7","1","106","","10.1039/C6RA25138B","","x-ray","1.54184","CuKα","","0.0409","0.0385","","","0.1005","0.1028","","","","","","1.039","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227320","7.6077","0.0004","17.9285","0.0007","13.5108","0.0006","90","","97.529","0.004","90","","1826.91","0.15","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O7 -","- C20 H17 N O7 -","- C80 H68 N4 O28 -","4","1","","Biyogo, Alex Meye; Curti, Christophe; El-Kashef, Hussein; Khoumeri, Omar; Terme, Thierry; Vanelle, Patrice","Mn(OAc)3 catalyzed intermolecular oxidative peroxycyclization of naphthoquinone","RSC Adv.","2017","7","1","106","","10.1039/C6RA25138B","","x-ray","0.71073","MoKα","","0.0647","0.0484","","","0.1123","0.1227","","","","","","1.021","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227321","33.134","0.006","7.3925","0.0003","23.922","0.004","90","","135.55","0.03","90","","4103","2","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 N O7.25 -","- C21 H21 N O7.25 -","- C168 H168 N8 O58 -","8","1","","Biyogo, Alex Meye; Curti, Christophe; El-Kashef, Hussein; Khoumeri, Omar; Terme, Thierry; Vanelle, Patrice","Mn(OAc)3 catalyzed intermolecular oxidative peroxycyclization of naphthoquinone","RSC Adv.","2017","7","1","106","","10.1039/C6RA25138B","","x-ray","0.71073","MoKα","","0.0946","0.0685","","","0.2016","0.2234","","","","","","1.069","","","","has coordinates,has disorder","189356","2020-10-21","18:00:00",""
"7227322","7.9834","0.0003","17.6071","0.0006","12.0243","0.0005","90","","102.179","0.004","90","","1652.15","0.11","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 N O6 -","- C19 H13 N O6 -","- C76 H52 N4 O24 -","4","1","","Biyogo, Alex Meye; Curti, Christophe; El-Kashef, Hussein; Khoumeri, Omar; Terme, Thierry; Vanelle, Patrice","Mn(OAc)3 catalyzed intermolecular oxidative peroxycyclization of naphthoquinone","RSC Adv.","2017","7","1","106","","10.1039/C6RA25138B","","x-ray","0.71073","MoKα","","0.061","0.0487","","","0.1196","0.1267","","","","","","1.069","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227323","11.7759","0.0004","12.0137","0.0004","13.2565","0.0005","105.781","0.003","107.535","0.003","92.139","0.003","1706.28","0.11","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N O7 -","- C19 H15 N O7 -","- C76 H60 N4 O28 -","4","2","","Biyogo, Alex Meye; Curti, Christophe; El-Kashef, Hussein; Khoumeri, Omar; Terme, Thierry; Vanelle, Patrice","Mn(OAc)3 catalyzed intermolecular oxidative peroxycyclization of naphthoquinone","RSC Adv.","2017","7","1","106","","10.1039/C6RA25138B","","x-ray","0.71073","MoKα","","0.1118","0.0675","","","0.1511","0.1754","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227327","7.604","0.008","9.541","0.01","24.58","0.03","90","","90","","90","","1783","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br2 S -","- C18 H16 Br2 S -","- C72 H64 Br8 S4 -","4","1","","Cai, Junmei; Cai, Juewang; Zheng, Purui; Wang, Xiaorong; Zhao, Xiaoming","Chiral carbon–sulfur center formation via Pd-catalyzed asymmetric allylic thioetherification: synthesis of allylic thioethers","RSC Adv.","2017","7","1","256","","10.1039/C6RA26877C","","","0.71073","MoKα","","0.1302","0.0528","","","0.0964","0.1194","","","","","","1.015","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227328","20.178","0.002","4.0966","0.0004","25.538","0.002","90","","99.66","0.009","90","","2081.1","0.3","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C11 H7 N O6 -","- C11 H7 N O6 -","- C88 H56 N8 O48 -","8","1","","Pramanik, Apurba; Haldar, Debasish","Packing-induced solid-state fluorescence and thermochromic behavior of peptidic luminophores","RSC Adv.","2017","7","1","389","","10.1039/C6RA24799G","","x-ray","0.71073","MoKα","","0.0844","0.0641","","","0.1602","0.1721","","","","","","1.153","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227329","7.847","0.0003","14.249","0.0008","15.0925","0.0008","118","0.006","90.705","0.004","92.192","0.004","1488.03","0.15","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N2 O7 -","- C15 H14 N2 O7 -","- C60 H56 N8 O28 -","4","2","","Pramanik, Apurba; Haldar, Debasish","Packing-induced solid-state fluorescence and thermochromic behavior of peptidic luminophores","RSC Adv.","2017","7","1","389","","10.1039/C6RA24799G","","","0.71073","MoKα","","0.0471","0.0373","","","0.0895","0.0967","","","","","","1.048","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227330","7.858","0.0008","11.5608","0.0012","13.8689","0.0011","108.556","0.008","94.723","0.007","91.871","0.008","1188.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N3 O10 -","- C25 H19 N3 O10 -","- C50 H38 N6 O20 -","2","1","","Pramanik, Apurba; Haldar, Debasish","Packing-induced solid-state fluorescence and thermochromic behavior of peptidic luminophores","RSC Adv.","2017","7","1","389","","10.1039/C6RA24799G","","","0.71073","MoKα","","0.1181","0.0726","","","0.1679","0.1887","","","","","","1.041","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227339","24.4406","0.0008","4.3182","0.0002","11.0826","0.0004","90","","90","","90","","1169.65","0.08","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H10 N2 O -","- C16 H10 N2 O -","- C64 H40 N8 O4 -","4","1","","Yin, Bo; Huang, Panpan; Lu, Yingbing; Liu, Liangxian","TEMPO-catalyzed oxidative homocoupling route to 3,2′-biindolin-2-ones via an indolin-3-one intermediate","RSC Adv.","2017","7","2","606","","10.1039/C6RA24834A","","","0.71073","MoKα","","0.1002","0.0397","","","0.0557","0.0649","","","","","","0.831","","","","has coordinates","189817","2020-10-21","18:00:00",""
"7227340","11.2125","0.0019","6.7337","0.0011","15.886","0.003","90","","104.314","0.004","90","","1162.2","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 F3 O3 S -","- C24 H33 F3 O3 S -","- C48 H66 F6 O6 S2 -","2","1","","He, Bin; Xiao, Zhiwei; Wu, Hao; Guo, Yong; Chen, Qing-Yun; Liu, Chao","Oxidative decarboxylative radical trifluoromethylthiolation of alkyl carboxylic acids with silver(i) trifluoromethanethiolate and selectfluor","RSC Adv.","2017","7","2","880","","10.1039/C6RA26133G","","","0.71073","MoKα","","0.0946","0.0744","","","0.1911","0.2107","","","","","","1.042","","","","has coordinates,has disorder","301865","2025-08-22","16:17:11",""
"7227341","12.7203","0.0002","13.7758","0.0003","15.8945","0.0003","90","","100.925","0.002","90","","2734.75","0.09","150","2","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 Br2 N6 Sn2 -","- C54 H72 Br2 N6 Sn2 -","- C108 H144 Br4 N12 Sn4 -","2","0.5","","Ochiai, Tatsumi; Inoue, Shigeyoshi","Synthesis of a cyclopentadienyl(imino)stannylene and its direct conversion into halo(imino)stannylenes","RSC Adv.","2017","7","2","801","","10.1039/C6RA27697K","","x-ray","1.54184","CuKα","","0.0452","0.0367","","","0.0904","0.0978","","","","","","1.02","","","","has coordinates,has disorder","189819","2020-10-21","18:00:00",""
"7227342","11.0955","0.0003","23.0198","0.0005","25.7805","0.0006","90","","95.263","0.002","90","","6557","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H98 N6 O2 Sn2 -","- C72 H98 N6 O2 Sn2 -","- C288 H392 N24 O8 Sn8 -","4","1","","Ochiai, Tatsumi; Inoue, Shigeyoshi","Synthesis of a cyclopentadienyl(imino)stannylene and its direct conversion into halo(imino)stannylenes","RSC Adv.","2017","7","2","801","","10.1039/C6RA27697K","","","1.54184","CuKα","","0.0994","0.0915","","","0.2201","0.2233","","","","","","1.158","","","","has coordinates","189819","2020-10-21","18:00:00",""
"7227355","10.2909","0.0009","10.655","0.001","11.4221","0.0011","79.594","0.002","75.334","0.002","61.906","0.001","1066.09","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H46 Mn2 N4 O19 -","- C39 H46 Mn2 N4 O19 -","- C39 H46 Mn2 N4 O19 -","1","0.5","","Li, Ling; Lv, Lei; Huang, Ru-Dan","A series of coordination polymers based on terphenyl tetracarboxylates and bis-pyridyl ligands with water vapor sorption properties","RSC Adv.","2017","7","2","975","","10.1039/C6RA25319A","","","0.71073","MoKα","","0.1062","0.0621","","","0.1514","0.1827","","","","","","1.03","","","","has coordinates,has disorder","189876","2020-10-21","18:00:00",""
"7227356","11.463","0.0009","11.835","0.001","11.893","0.0011","74.149","0.001","88.61","0.002","87.414","0.002","1550.4","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H48 Mn4 N4 O22 -","- C68 H48 Mn4 N4 O22 -","- C68 H48 Mn4 N4 O22 -","1","0.5","","Li, Ling; Lv, Lei; Huang, Ru-Dan","A series of coordination polymers based on terphenyl tetracarboxylates and bis-pyridyl ligands with water vapor sorption properties","RSC Adv.","2017","7","2","975","","10.1039/C6RA25319A","","","0.71073","MoKα","","0.2103","0.1324","","","0.3214","0.3532","","","","","","1.038","","","","has coordinates","189876","2020-10-21","18:00:00",""
"7227357","13.545","0.0012","20.0472","0.0018","12.8501","0.0011","90","","91.381","0.001","90","","3488.3","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 N4 Ni O10 -","- C38 H36 N4 Ni O10 -","- C152 H144 N16 Ni4 O40 -","4","1","","Li, Ling; Lv, Lei; Huang, Ru-Dan","A series of coordination polymers based on terphenyl tetracarboxylates and bis-pyridyl ligands with water vapor sorption properties","RSC Adv.","2017","7","2","975","","10.1039/C6RA25319A","","","0.71073","MoKα","","0.0812","0.046","","","0.0818","0.0892","","","","","","1.056","","","","has coordinates","189876","2020-10-21","18:00:00",""
"7227358","12.361","0.0011","12.7309","0.0012","12.7571","0.0014","83.027","0.002","82.921","0.001","70.982","0.001","1876.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H40 Co2 N4 O13 -","- C38 H40 Co2 N4 O13 -","- C76 H80 Co4 N8 O26 -","2","1","","Li, Ling; Lv, Lei; Huang, Ru-Dan","A series of coordination polymers based on terphenyl tetracarboxylates and bis-pyridyl ligands with water vapor sorption properties","RSC Adv.","2017","7","2","975","","10.1039/C6RA25319A","","","0.71073","MoKα","","0.1662","0.1307","","","0.3409","0.3708","","","","","","1.256","","","","has coordinates","189876","2020-10-21","18:00:00",""
"7227359","8.581","0.0007","10.278","0.0008","12.214","0.0011","79.344","0.002","71.749","0.001","68.861","0.001","951.03","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 Co2 N4 O16 -","- C38 H38 Co2 N4 O16 -","- C38 H38 Co2 N4 O16 -","1","0.5","","Li, Ling; Lv, Lei; Huang, Ru-Dan","A series of coordination polymers based on terphenyl tetracarboxylates and bis-pyridyl ligands with water vapor sorption properties","RSC Adv.","2017","7","2","975","","10.1039/C6RA25319A","","","0.71073","MoKα","","0.127","0.1007","","","0.2669","0.288","","","","","","1.016","","","","has coordinates,has disorder","189876","2020-10-21","18:00:00",""
"7227360","10.723","0.0009","11.8829","0.0011","13.6481","0.0012","88.316","0.002","70.259","0.001","78.075","0.002","1600","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H64 Co2 N8 O20 -","- C68 H64 Co2 N8 O20 -","- C68 H64 Co2 N8 O20 -","1","0.5","","Li, Ling; Lv, Lei; Huang, Ru-Dan","A series of coordination polymers based on terphenyl tetracarboxylates and bis-pyridyl ligands with water vapor sorption properties","RSC Adv.","2017","7","2","975","","10.1039/C6RA25319A","","","0.71073","MoKα","","0.2697","0.1471","","","0.2957","0.4166","","","","","","1.017","","","","has coordinates,has disorder","189876","2020-10-21","18:00:00",""
"7227361","6.3993","0.0003","11.0228","0.0005","13.8844","0.0009","106.376","0.005","98.689","0.005","106.505","0.003","872.02","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N4 O2 -","- C20 H20 N4 O2 -","- C40 H40 N8 O4 -","2","1","","Zhang, Yong; Wei, Biao-Wen; Wang, Wen-Xin; Deng, Lei-Ling; Nie, Long-Jun; Luo, Hai-Qing; Fan, Xiao-Lin","Direct vinylogous oxidative cross-dehydrogenative coupling of 4-nitroisoxazoles with N-aryl tetrahydroisoquinolines in water under air conditions","RSC Adv.","2017","7","3","1229","","10.1039/C6RA26126D","","","0.71073","MoKα","","0.0758","0.0504","","","0.1293","0.1464","","","","","","1.044","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227368","17.5609","0.0008","26.6596","0.0013","19.7774","0.0009","90","","96.521","0.002","90","","9199.2","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C64 H76 Br2.09 Cd2 Cl5.91 N30 O26.5 -","- C64 H76 Br2.089 Cd2 Cl5.911 N30 O26.5 -","- C256 H304 Br8.356 Cd8 Cl23.644 N120 O106 -","4","1","","Gao, Zhongzheng; Bai, Dong; Chen, Lixia; Tao, Zhu; Xiao, Xin; Prior, Timothy J.; Redshaw, Carl","A study of the interaction between inverted cucurbit[7]uril and symmetric viologens","RSC Adv.","2017","7","1","461","","10.1039/C6RA24780F","","","0.71073","MoKα","","0.1046","0.0511","","","0.1225","0.1546","","","","","","1.02","","","","has coordinates,has disorder","189960","2020-10-21","18:00:00",""
"7227369","17.8377","0.0005","26.1661","0.0009","19.5368","0.0009","90","","98.161","0.003","90","","9026.3","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C117 H85 Cd4 Cl16 N58 O36 -","- C117 H84 Cd4 Cl16 N59 O36 -","- C234 H168 Cd8 Cl32 N118 O72 -","2","0.5","","Gao, Zhongzheng; Bai, Dong; Chen, Lixia; Tao, Zhu; Xiao, Xin; Prior, Timothy J.; Redshaw, Carl","A study of the interaction between inverted cucurbit[7]uril and symmetric viologens","RSC Adv.","2017","7","1","461","","10.1039/C6RA24780F","","","0.71073","MoKα","","0.1658","0.1083","","","0.2972","0.3678","","","","","","1.047","","","","has coordinates,has disorder","189960","2020-10-21","18:00:00",""
"7227420","8.8493","0.0014","11.2288","0.0018","18.574","0.003","90","","90.45","0.002","90","","1845.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","DTQopen","2,3-Bis(2,5-dimethylthiophen-3-yl)-5,6-dimethylbenzoquinone","","- C20 H20 O2 S2 -","- C20 H20 O2 S2 -","- C80 H80 O8 S8 -","4","1","","Saito, Eiji; Ako, Takumi; Kobori, Yasuhiro; Tsuda, Akihiko","Switching of the π-electronic conjugations in the reduction of a dithienylethene-fused p-benzoquinone","RSC Adv.","2017","7","5","2403","","10.1039/C6RA27001H","","","0.71073","MoKα","","0.0592","0.0439","","","0.1321","0.15","","","","","","0.883","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227421","11.6079","0.0008","8.1273","0.0003","25.7149","0.001","90","","92.286","0.004","90","","2424","0.2","106.4","","106.4","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 O14 -","- C24 H28 O14 -","- C96 H112 O56 -","4","1","","Sang, Xia-Nan; Chen, Shao-Fei; Chen, Gang; An, Xiao; Li, Sheng-Ge; Lu, Xiao-Jie; Zhao, Dan; Bai, Jiao; Wang, Hai-Feng; Pei, Yue-Hu","Two pairs of enantiomeric α-pyrone dimers from the endophytic fungus Phoma sp. YN02-P-3","RSC Adv.","2017","7","4","1943","","10.1039/C6RA26319D","","","1.5418","CuKα","","0.0566","0.0485","","","0.13","0.1371","","","","","","1.029","","","","has coordinates,has disorder","301865","2025-08-22","16:17:11",""
"7227422","10.4377","0.0009","17.2053","0.0014","8.6699","0.0007","90","","94.227","0.003","90","","1552.7","0.2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H15 Cl4 N Ti -","- C11 H15 Cl4 N Ti -","- C44 H60 Cl16 N4 Ti4 -","4","1","","Tripathi, Kamini; Rai, Abhishek; Yadav, Amarish Kumar; Srikrishna, Saripella; Kumari, Niraj; Mishra, Lallan","Fluorescein hydrazone-based supramolecular architectures, molecular recognition, sequential logic operation and cell imaging","RSC Adv.","2017","7","4","2264","","10.1039/C6RA26255D","","","0.71073","MoKα","","0.0398","0.0297","","","0.0541","0.0576","","","","","","1.013","","","","has coordinates","190460","2020-10-21","18:00:00",""
"7227423","8.2826","0.0005","13.7434","0.0007","19.0467","0.0009","84.161","0.004","86.179","0.004","77.4","0.004","2102.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H53 N5 O10 -","- C43 H53 N5 O10 -","- C86 H106 N10 O20 -","2","1","","Tripathi, Kamini; Rai, Abhishek; Yadav, Amarish Kumar; Srikrishna, Saripella; Kumari, Niraj; Mishra, Lallan","Fluorescein hydrazone-based supramolecular architectures, molecular recognition, sequential logic operation and cell imaging","RSC Adv.","2017","7","4","2264","","10.1039/C6RA26255D","","","0.71073","MoKα","","0.1219","0.0813","","","0.1842","0.2087","","","","","","1.042","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227424","20.173","0.004","10.666","0.002","18.074","0.004","90","","113.82","0.03","90","","3557.6","1.5","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H15 F18 N4 O6 Tb -","- C23 H15 F18 N4 O6 Tb -","- C92 H60 F72 N16 O24 Tb4 -","4","0.5","","Yao, Binling; Gu, Bin; Su, Meihui; Li, Guoliang; Ma, Yue; Li, Licun; Wang, Qinglun; Cheng, Peng; Zhang, Xuan","Single-molecule magnet behavior in a mononuclear dysprosium(iii) complex with 1-methylimidazole","RSC Adv.","2017","7","5","2766","","10.1039/C6RA25038F","","","0.71073","MoKα","","0.0469","0.0428","","","0.1061","0.1108","","","","","","1.049","","","","has coordinates,has disorder","190461","2020-10-21","18:00:00",""
"7227425","20.103","0.004","10.649","0.002","18.062","0.004","90","","113.88","0.03","90","","3535.7","1.5","113.15","","113.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H15 Dy F18 N4 O6 -","- C23 H15 Dy F18 N4 O6 -","- C92 H60 Dy4 F72 N16 O24 -","4","0.5","","Yao, Binling; Gu, Bin; Su, Meihui; Li, Guoliang; Ma, Yue; Li, Licun; Wang, Qinglun; Cheng, Peng; Zhang, Xuan","Single-molecule magnet behavior in a mononuclear dysprosium(iii) complex with 1-methylimidazole","RSC Adv.","2017","7","5","2766","","10.1039/C6RA25038F","","","0.71073","MoKα","","0.05","0.0434","","","0.0987","0.1032","","","","","","1.014","","","","has coordinates,has disorder","190461","2020-10-21","18:00:00",""
"7227426","20.079","0.007","10.639","0.002","18.035","0.009","90","","113.89","0.03","90","","3523","2","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H15 F18 Ho N4 O6 -","- C23 H15 F18 Ho N4 O6 -","- C92 H60 F72 Ho4 N16 O24 -","4","0.5","","Yao, Binling; Gu, Bin; Su, Meihui; Li, Guoliang; Ma, Yue; Li, Licun; Wang, Qinglun; Cheng, Peng; Zhang, Xuan","Single-molecule magnet behavior in a mononuclear dysprosium(iii) complex with 1-methylimidazole","RSC Adv.","2017","7","5","2766","","10.1039/C6RA25038F","","","0.71073","MoKα","","0.0468","0.0423","","","0.1035","0.1081","","","","","","1.039","","","","has coordinates,has disorder","190461","2020-10-21","18:00:00",""
"7227427","9.596","0.0015","13.277","0.002","15.277","0.003","104.26","0.004","96.594","0.002","97.594","0.003","1847.7","0.5","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 Eu N O9 -","- C30 H22 Eu N O9 -","- C60 H44 Eu2 N2 O18 -","2","1","","Zhao, Meng; Yao, Zhao-Quan; Xu, Yue-Ling; Chang, Ze; Bu, Xian-He","Guest dependent structure and acetone sensing properties of a 2D Eu3+ coordination polymer","RSC Adv.","2017","7","4","2258","","10.1039/C6RA25681C","","","0.71073","MoKα","","0.0381","0.0359","","","0.0988","0.0999","","","","","","1.057","","","","has coordinates","190462","2020-10-21","18:00:00",""
"7227428","9.4793","0.0011","11.192","0.0011","15.6287","0.0015","91.437","0.001","101.32","0.002","113.66","0.002","1479.2","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Fe2 O6 S2 -","- C10 H8 Fe2 O6 S2 -","- C40 H32 Fe8 O24 S8 -","4","2","","Zhang, Xia; Zhang, Tianyong; Li, Bin; Zhang, Guanghui; Hai, Li; Ma, Xiaoyuan; Wu, Wubin","Direct synthesis of phenol by novel [FeFe]-hydrogenase model complexes as catalysts of benzene hydroxylation with H2O2","RSC Adv.","2017","7","5","2934","","10.1039/C6RA27831K","","","0.71073","MoKα","","0.0482","0.045","","","0.1063","0.1083","","","","","","1.018","","","","has coordinates,has disorder","190508","2020-10-21","18:00:00",""
"7227429","13.8434","0.0014","12.6809","0.0014","17.6","0.002","90","","102.58","0.002","90","","3015.5","0.6","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H41 Fe2 O5 P S2 -","- C27 H41 Fe2 O5 P S2 -","- C108 H164 Fe8 O20 P4 S8 -","4","1","","Zhang, Xia; Zhang, Tianyong; Li, Bin; Zhang, Guanghui; Hai, Li; Ma, Xiaoyuan; Wu, Wubin","Direct synthesis of phenol by novel [FeFe]-hydrogenase model complexes as catalysts of benzene hydroxylation with H2O2","RSC Adv.","2017","7","5","2934","","10.1039/C6RA27831K","","","0.71073","MoKα","","0.0298","0.0286","","","0.0715","0.0722","","","","","","1.057","","","","has coordinates","190508","2020-10-21","18:00:00",""
"7227430","9.846","0.002","11.197","0.002","13.562","0.002","96.013","0.003","93.089","0.004","111.076","0.005","1380.7","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H23 Fe2 O5 P S2 -","- C27 H23 Fe2 O5 P S2 -","- C54 H46 Fe4 O10 P2 S4 -","2","1","","Zhang, Xia; Zhang, Tianyong; Li, Bin; Zhang, Guanghui; Hai, Li; Ma, Xiaoyuan; Wu, Wubin","Direct synthesis of phenol by novel [FeFe]-hydrogenase model complexes as catalysts of benzene hydroxylation with H2O2","RSC Adv.","2017","7","5","2934","","10.1039/C6RA27831K","","","0.71073","MoKα","","0.0642","0.0618","","","0.1701","0.1749","","","","","","1.076","","","","has coordinates,has disorder","190508","2020-10-21","18:00:00",""
"7227431","11.3908","0.0012","8.3911","0.0007","18.9319","0.0019","90","","106.049","0.002","90","","1739","0.3","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Cl2 N3 O4 S -","- C15 H13 Cl2 N3 O4 S -","- C60 H52 Cl8 N12 O16 S4 -","4","1","","Chen, Lai; Guo, Xiao-Feng; Fan, Zhi-Jin; Zhang, Nai-Lou; Zhu, Yu-Jie; Zhang, Zhi-Ming; Khazhieva, Inna; Yurievich, Morzherin Y.; Belskaya, Nataliya P.; Bakulev, Vasiliy A.","Synthesis and fungicidal activity of 3,4-dichloroisothiazole based strobilurins as potent fungicide candidates","RSC Adv.","2017","7","6","3145","","10.1039/C6RA25520E","","","0.71073","MoKα","","0.0722","0.0698","","","0.2049","0.2064","","","","","","1.061","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227432","8.6745","0.0002","8.9262","0.0002","17.2543","0.0004","90","","103.42","0.002","90","","1299.53","0.05","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H30 N4 O4 S -","- C29 H30 N4 O4 S -","- C58 H60 N8 O8 S2 -","2","1","","Sadu, Venkata S.; Sadu, Sirisha; Kim, Seji; Hwang, In-Taek; Kong, Ki-Jeong; Lee, Kee-In","Influence of steric demand on ruthenium-catalyzed cycloaddition of sterically hindered azides","RSC Adv.","2017","7","6","3229","","10.1039/C6RA25403A","","","0.71073","MoKα","","0.0574","0.0437","","","0.0932","0.0985","","","","","","1.025","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227439","15.021","0.002","16.504","0.003","25.151","0.004","90","","96.42","0.002","90","","6196","1.7","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H66 N6 O8 Zn4 -","- C64 H66 N6 O8 Zn4 -","- C256 H264 N24 O32 Zn16 -","4","1","","Al-Khafaji, Yahya F.; Elsegood, Mark R. J.; Frese, Josef W. A.; Redshaw, Carl","Ring opening polymerization of lactides and lactones by multimetallic alkyl zinc complexes derived from the acids Ph2C(X)CO2H (X = OH, NH2)","RSC Adv.","2017","7","8","4510","","10.1039/C6RA26746G","","","0.71073","MoKα","","0.077","0.0531","","","0.1235","0.1379","","","","","","1.07","","","","has coordinates","190580","2020-10-21","18:00:00",""
"7227440","18.401","0.005","18.401","0.005","11.347","0.003","90","","90","","90","","3842.1","1.8","150","2","150","2","","","","","","","","6","I -4","I -4","82","","","","- C84 H64 F12 N4 O8 Zn4 -","- C84 H64 F12 N4 O8 Zn4 -","- C168 H128 F24 N8 O16 Zn8 -","2","0.25","","Al-Khafaji, Yahya F.; Elsegood, Mark R. J.; Frese, Josef W. A.; Redshaw, Carl","Ring opening polymerization of lactides and lactones by multimetallic alkyl zinc complexes derived from the acids Ph2C(X)CO2H (X = OH, NH2)","RSC Adv.","2017","7","8","4510","","10.1039/C6RA26746G","","","0.71073","MoKα","","0.0573","0.0554","","","0.1313","0.133","","","","","","1.109","","","","has coordinates","190580","2020-10-21","18:00:00",""
"7227441","13.5944","0.0005","13.5944","0.0005","22.3469","0.0009","90","","90","","90","","4129.9","0.3","150","2","150","2","","","","","","","","6","I -4","I -4","82","","","","- C94 H75.18 F12 N4 O9.59 Zn4 -","- C94 H72 F12 N4 O9.588 Zn4 -","- C188 H144 F24 N8 O19.176 Zn8 -","2","0.25","","Al-Khafaji, Yahya F.; Elsegood, Mark R. J.; Frese, Josef W. A.; Redshaw, Carl","Ring opening polymerization of lactides and lactones by multimetallic alkyl zinc complexes derived from the acids Ph2C(X)CO2H (X = OH, NH2)","RSC Adv.","2017","7","8","4510","","10.1039/C6RA26746G","","","0.71073","MoKα","","0.0362","0.0318","","","0.0797","0.082","","","","","","1.041","","","","has coordinates,has disorder","190580","2020-10-21","18:00:00",""
"7227442","9.3027","0.0005","18.1466","0.001","14.1566","0.0008","90","","94.8366","0.001","90","","2381.3","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 B F9 N2 -","- C25 H18 B F9 N2 -","- C100 H72 B4 F36 N8 -","4","1","","Al-Khafaji, Yahya F.; Elsegood, Mark R. J.; Frese, Josef W. A.; Redshaw, Carl","Ring opening polymerization of lactides and lactones by multimetallic alkyl zinc complexes derived from the acids Ph2C(X)CO2H (X = OH, NH2)","RSC Adv.","2017","7","8","4510","","10.1039/C6RA26746G","","","0.71073","MoKα","","0.0668","0.0428","","","0.0959","0.105","","","","","","1.048","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227443","12.7113","0.0011","9.9296","0.0008","6.5812","0.0006","90","","90","","90","","830.67","0.12","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C4 H6 Cl2 N2 Zn -","- C4 H6 Cl2 N2 Zn -","- C16 H24 Cl8 N8 Zn4 -","4","0.5","","Al-Khafaji, Yahya F.; Elsegood, Mark R. J.; Frese, Josef W. A.; Redshaw, Carl","Ring opening polymerization of lactides and lactones by multimetallic alkyl zinc complexes derived from the acids Ph2C(X)CO2H (X = OH, NH2)","RSC Adv.","2017","7","8","4510","","10.1039/C6RA26746G","","","0.71073","MoKα","","0.0236","0.0199","","","0.0535","0.055","","","","","","1.042","","","","has coordinates","190580","2020-10-21","18:00:00",""
"7227444","11.692","0.003","7.545","0.003","20.193","0.005","90","","90","","90","","1781.3","1","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2,3-dibromonaphthalene","2,3-dibromonaphthalene","","- C10 H6 Br2 -","- C10 H6 Br2 -","- C80 H48 Br16 -","8","1","","Białkowska, Magda; Chaładaj, Wojciech; Deperasińska, Irena; Drzewiecka-Antonik, Aleksandra; Koziol, Anna E.; Makarewicz, Artur; Kozankiewicz, Bolesław","Single molecules of terrylene in di-substituted naphthalenes crystallizing in the herringbone pattern","RSC Adv.","2017","7","5","2780","","10.1039/C6RA27167G","","","1.54184","CuKα","","0.0632","0.0475","","","0.12","0.1374","","","","","","1.004","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227445","11.631","0.003","7.417","0.002","19.691","0.004","90","","90","","90","","1698.7","0.7","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","2,3-dichloronaphthalene","2,3-dichloronaphthalene","","- C10 H6 Cl2 -","- C10 H6 Cl2 -","- C80 H48 Cl16 -","8","1","","Białkowska, Magda; Chaładaj, Wojciech; Deperasińska, Irena; Drzewiecka-Antonik, Aleksandra; Koziol, Anna E.; Makarewicz, Artur; Kozankiewicz, Bolesław","Single molecules of terrylene in di-substituted naphthalenes crystallizing in the herringbone pattern","RSC Adv.","2017","7","5","2780","","10.1039/C6RA27167G","","","1.54184","CuKα","","0.102","0.0788","","","0.2002","0.2253","","","","","","1.089","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227446","8.858","0.0006","12.4336","0.0007","17.542","0.0012","90","","90","","90","","1932","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","sd310-42","","- C21 H32 O4 -","- C21 H32 O4 -","- C84 H128 O16 -","4","1","","Li, Xin; Li, Xiao-Dong; Li, Xiao-Ming; Xu, Gang-Ming; Liu, Yang; Wang, Bin-Gui","Wentinoids A–F, six new isopimarane diterpenoids from Aspergillus wentii SD-310, a deep-sea sediment derived fungus","RSC Adv.","2017","7","8","4387","","10.1039/C6RA27209F","","","1.54178","CuKα","","0.0894","0.0567","","","0.1105","0.1289","","","","","","1.037","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227447","6.6729","0.0005","11.9119","0.0009","23.5741","0.0018","90","","90","","90","","1873.8","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","sd310-40","","- C20 H32 O3 -","- C20 H32 O3 -","- C80 H128 O12 -","4","1","","Li, Xin; Li, Xiao-Dong; Li, Xiao-Ming; Xu, Gang-Ming; Liu, Yang; Wang, Bin-Gui","Wentinoids A‒F, six new isopimarane diterpenoids from Aspergillus wentii SD-310, a deep-sea sediment derived fungus","RSC Adv.","2017","7","8","4387","","10.1039/C6RA27209F","","","1.54178","CuKα","","0.2224","0.096","","","0.2657","0.2979","","","","","","1.27","","","","has coordinates,has disorder","190582","2020-10-21","18:00:00",""
"7227448","9.4327","0.0006","13.1356","0.0009","16.737","0.0009","90","","90","","90","","2073.8","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","sd310-20","","- C22 H32 O4 -","- C22 H32 O4 -","- C88 H128 O16 -","4","1","","Li, Xin; Li, Xiao-Dong; Li, Xiao-Ming; Xu, Gang-Ming; Liu, Yang; Wang, Bin-Gui","Wentinoids A–F, six new isopimarane diterpenoids from Aspergillus wentii SD-310, a deep-sea sediment derived fungus","RSC Adv.","2017","7","8","4387","","10.1039/C6RA27209F","","","1.54178","CuKα","","0.0722","0.0502","","","0.1068","0.1211","","","","","","1.034","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227449","10.1099","0.0007","14.5192","0.001","18.8693","0.0014","73.736","0.004","86.862","0.004","78.123","0.004","2602","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 B2 Cu F8 N4 -","- C24 H24 B2 Cu F8 N4 -","- C96 H96 B8 Cu4 F32 N16 -","4","2","","Li, Jiajia; Yang, Xichuan; Yu, Ze; Gurzadyan, Gagik G.; Cheng, Ming; Zhang, Fuguo; Cong, Jiayan; Wang, Weihan; Wang, Haoxin; Li, Xiaoxin; Kloo, Lars; Wang, Mei; Sun, Licheng","Efficient dye-sensitized solar cells with [copper(6,6′-dimethyl-2,2′-bipyridine)2]2+/1+ redox shuttle","RSC Adv.","2017","7","8","4611","","10.1039/C6RA25676G","","","0.71073","MoKα","","0.0678","0.0559","","","0.1695","0.1777","","","","","","1.079","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227450","10.4583","0.0001","13.32","0.0002","22.0536","0.0003","90","","90","","90","","3072.17","0.07","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C34 H44 O7 -","- C34 H44 O7 -","- C136 H176 O28 -","4","1","","Wu, Jie-Wei; Tang, Chunping; Ke, Chang-Qiang; Yao, Sheng; Liu, Hong-Chun; Lin, Li-Gen; Ye, Yang","Dicarabrol A, dicarabrone C and dipulchellin A, unique sesquiterpene lactone dimers from Carpesium abrotanoides","RSC Adv.","2017","7","8","4639","","10.1039/C6RA27626A","","","1.54178","CuKα","","0.1011","0.0993","","","0.3028","0.3076","","","","","","1.539","","","","has coordinates,has disorder","190584","2020-10-21","18:00:00",""
"7227456","10.175","0.004","21.481","0.01","10.493","0.005","90","","93.144","0.009","90","","2290","1.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H46 N28 O7 Zn4 -","- C24 H46 N28 O7 Zn4 -","- C48 H92 N56 O14 Zn8 -","2","1","","Li, Min-Yu; Wang, Fei; Gu, Zhi-Gang; Zhang, Jian","Synthesis of homochiral zeolitic metal‒organic frameworks with amino acid and tetrazolates for chiral recognition","RSC Adv.","2017","7","9","4872","","10.1039/C6RA27069G","","","0.71073","MoKα","","0.126","0.0685","","","0.125","0.159","","","","","","1.046","","","","has coordinates","190640","2020-10-21","18:00:00",""
"7227457","10.11","0.005","21.362","0.01","10.475","0.005","90","","93.97","0.006","90","","2256.9","1.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H44 N28 O8 Zn4 -","- C24 H44 N28 O8 Zn4 -","- C48 H88 N56 O16 Zn8 -","2","1","","Li, Min-Yu; Wang, Fei; Gu, Zhi-Gang; Zhang, Jian","Synthesis of homochiral zeolitic metal‒organic frameworks with amino acid and tetrazolates for chiral recognition","RSC Adv.","2017","7","9","4872","","10.1039/C6RA27069G","","","0.71073","MoKα","","0.1488","0.0733","","","0.1399","0.181","","","","","","1.019","","","","has coordinates","190640","2020-10-21","18:00:00",""
"7227458","10.185","0.004","21.488","0.009","10.501","0.005","90","","93.174","0.008","90","","2294.7","1.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H46 N28 O7 Zn4 -","- C24 H46 N28 O7 Zn4 -","- C48 H92 N56 O14 Zn8 -","2","1","","Li, Min-Yu; Wang, Fei; Gu, Zhi-Gang; Zhang, Jian","Synthesis of homochiral zeolitic metal‒organic frameworks with amino acid and tetrazolates for chiral recognition","RSC Adv.","2017","7","9","4872","","10.1039/C6RA27069G","","","0.71073","MoKα","","0.1504","0.0643","","","0.113","0.1538","","","","","","0.965","","","","has coordinates","190640","2020-10-21","18:00:00",""
"7227459","10.2303","0.0003","21.4402","0.0006","11.1573","0.0004","90","","91.259","0.003","90","","2446.65","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H52 N28 O6 Zn4 -","- C28 H52 N28 O6 Zn4 -","- C56 H104 N56 O12 Zn8 -","2","1","","Li, Min-Yu; Wang, Fei; Gu, Zhi-Gang; Zhang, Jian","Synthesis of homochiral zeolitic metal‒organic frameworks with amino acid and tetrazolates for chiral recognition","RSC Adv.","2017","7","9","4872","","10.1039/C6RA27069G","","","1.54178","CuKα","","0.0593","0.0446","","","0.1167","0.1304","","","","","","1.017","","","","has coordinates","190640","2020-10-21","18:00:00",""
"7227460","12.209","0.011","20.445","0.018","20.68","0.019","90","","90","","90","","5162","8","296","2","296.15","","","","","","","","","3","F d d d","-F 2uv 2vw","70","","","","- Eu Ga2 S4 -","- Eu Ga2 S4 -","- Eu32 Ga64 S128 -","32","","","Chi, Yang; Guo, Sheng-Ping; Xue, Huai-Guo","Band gap tuning from an indirect EuGa2S4 to a direct EuZnGeS4 semiconductor: syntheses, crystal and electronic structures, and optical properties","RSC Adv.","2017","7","9","5039","","10.1039/C6RA25283D","","","0.71073","MoKα","","0.0421","0.0342","","","0.0841","0.0894","","","","","","1.145","","","","has coordinates","190641","2020-10-21","18:00:00",""
"7227461","13.4899","0.0007","21.7475","0.0013","21.8592","0.0011","90","","90","","90","","6412.9","0.6","296","2","296.15","","","","","","","","","3","F d d d","-F 2uv 2vw","70","","","","- Eu In2 Se4 -","- Eu In2 Se4 -","- Eu32 In64 Se128 -","32","","","Chi, Yang; Guo, Sheng-Ping; Xue, Huai-Guo","Band gap tuning from an indirect EuGa2S4 to a direct EuZnGeS4 semiconductor: syntheses, crystal and electronic structures, and optical properties","RSC Adv.","2017","7","9","5039","","10.1039/C6RA25283D","","","0.71073","MoKα","","0.0493","0.0285","","","0.0594","0.0666","","","","","","1.093","","","","has coordinates","190642","2020-10-21","18:00:00",""
"7227462","13.016","0.003","20.772","0.005","21.076","0.005","90","","90","","90","","5698","2","296","2","296.15","","","","","","","","","3","F d d d","-F 2uv 2vw","70","","","","- Eu In2 S4 -","- Eu In2 S4 -","- Eu32 In64 S128 -","32","","","Chi, Yang; Guo, Sheng-Ping; Xue, Huai-Guo","Band gap tuning from an indirect EuGa2S4 to a direct EuZnGeS4 semiconductor: syntheses, crystal and electronic structures, and optical properties","RSC Adv.","2017","7","9","5039","","10.1039/C6RA25283D","","","0.71073","MoKα","","0.0428","0.0327","","","0.0793","0.0878","","","","","","1.09","","","","has coordinates","190643","2020-10-21","18:00:00",""
"7227463","20.398","0.006","20.682","0.006","12.234","0.004","90","","90","","90","","5161","3","296","2","296.15","","","","","","","","","4","F d d d","-F 2uv 2vw","70","","","","- Eu Ge S4 Zn -","- Eu Ge S4 Zn -","- Eu32 Ge32 S128 Zn32 -","32","","","Chi, Yang; Guo, Sheng-Ping; Xue, Huai-Guo","Band gap tuning from an indirect EuGa2S4 to a direct EuZnGeS4 semiconductor: syntheses, crystal and electronic structures, and optical properties","RSC Adv.","2017","7","9","5039","","10.1039/C6RA25283D","","","0.71073","MoKα","","0.0553","0.0483","","","0.1245","0.1279","","","","","","1.129","","","","has coordinates","190644","2020-10-21","18:00:00",""
"7227464","9.6264","0.0004","9.6264","0.0004","42.6146","0.0018","90","","90","","90","","3949","0.3","296","2","296","2","","","","","","","","6","P 43","P 4cw","78","","","","- C20 H23 F N2 O2 S -","- C20 H23 F N2 O2 S -","- C160 H184 F8 N16 O16 S8 -","8","2","","Xie, Chen; Sha, Wanxing; Zhu, Yi; Han, Jianlin; Soloshonok, Vadim A.; Pan, Yi","Asymmetric synthesis of C–F quaternary α-fluoro-β-amino-indolin-2-ones via Mannich addition reactions; facets of reactivity, structural generality and stereochemical outcome","RSC Adv.","2017","7","10","5679","","10.1039/C6RA27710A","","","0.71073","MoKα","","0.0726","0.0506","","","0.1096","0.1186","","","","","","1.055","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227465","29.2197","0.0006","6.08065","0.00011","16.8443","0.0003","90","","114.964","0.0007","90","","2713.21","0.09","323","","323","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 F6 N2 P S8 -","- C22 H14 F6 N2 P S8 -","- C88 H56 F24 N8 P4 S32 -","4","0.5","","Kanetou, Tomoaki; Tsunashima, Ryo; Hoshino, Norihisa; Akutagawa, Tomoyuki","Solid-state structure and electronic states of hydrogen-bonded dimer of pyridyl-substituted tetrathiafulvalene salted with PF6−","RSC Adv.","2017","7","11","6236","","10.1039/C6RA27814K","","","1.54187","CuKα","","","0.0377","","","","0.131","","","","","","0.842","","","","has coordinates","190646","2020-10-21","18:00:00",""
"7227466","28.6106","0.0006","6.00201","0.00012","16.6897","0.0003","90","","113.9","0.0008","90","","2620.22","0.09","93","","93","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H15 F6 N2 P S8 -","- C22 H14 F6 N2 P S8 -","- C88 H56 F24 N8 P4 S32 -","4","0.5","","Kanetou, Tomoaki; Tsunashima, Ryo; Hoshino, Norihisa; Akutagawa, Tomoyuki","Solid-state structure and electronic states of hydrogen-bonded dimer of pyridyl-substituted tetrathiafulvalene salted with PF6−","RSC Adv.","2017","7","11","6236","","10.1039/C6RA27814K","","","1.54187","CuKα","","","0.0314","","","","0.0882","","","","","","1.137","","","","has coordinates","190646","2020-10-21","18:00:00",""
"7227467","7.682","0.0012","10.2672","0.0015","18.256","0.003","90","","90","","90","","1439.9","0.4","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H4 Eu0.1 O4 Pb0.85 -","- C8 H4 Eu0.1 O4 Pb0.85 -","- C64 H32 Eu0.8 O32 Pb6.8 -","8","1","","Barbosa, C. D. E. S.; da Luz, L. L.; Paz, F. A. Almeida; Malta, O. L.; Rodrigues, M. O.; Júnior, S. A.; Ferreira, R. A. S.; Carlos, L. D.","Site-selective Eu(iii) spectroscopy of highly efficient luminescent mixed-metal Pb(ii)/Eu(iii) coordination polymers","RSC Adv.","2017","7","10","6093","","10.1039/C6RA27850G","","","0.71073","MoKα","","0.0445","0.0253","","","0.0477","0.0543","","","","","","1.022","","","","has coordinates","190647","2020-10-21","18:00:00",""
"7227468","12.0542","0.0004","12.5534","0.0004","15.406","0.0004","112.178","0.003","102.023","0.003","99.933","0.003","2028.64","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H60 Fe2 N44 Na2 O12 -","- C68 H36 Fe2 N44 Na2 O12 -","- C68 H36 Fe2 N44 Na2 O12 -","1","0.5","","Han, Yi; Zheng, Hao; Li, Huijun; Wang, Hongli; Wang, Shi-Min; Geng, Yanling; Wang, Lei","Solvent-mediated preparation of a heterometallic [2 ×2] grid via a 1D metal‒organic template with extraordinary acid/base-resistance","RSC Adv.","2017","7","10","5578","","10.1039/C6RA26412C","","","1.54178","CuKα","","0.1064","0.094","","","0.2661","0.2748","","","","","","1.068","","","","has coordinates","190648","2020-10-21","18:00:00",""
"7227469","22.027","0.004","7.4504","0.0015","11.654","0.002","90","","90.19","0.03","90","","1912.5","0.6","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C17 H14 Fe N11 O3 S0 -","- C17 H11 Fe N11 O3 -","- C68 H44 Fe4 N44 O12 -","4","1","","Han, Yi; Zheng, Hao; Li, Huijun; Wang, Hongli; Wang, Shi-Min; Geng, Yanling; Wang, Lei","Solvent-mediated preparation of a heterometallic [2 ×2] grid via a 1D metal‒organic template with extraordinary acid/base-resistance","RSC Adv.","2017","7","10","5578","","10.1039/C6RA26412C","","","0.71073","MoKα","","0.0559","0.0554","","","0.1588","0.1595","","","","","","1.052","","","","has coordinates","190648","2020-10-21","18:00:00",""
"7227470","15.3271","0.0003","17.5154","0.0006","11.6216","0.0003","90","","101.145","0.002","90","","3061.1","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 Cd N3 O7 -","- C30 H29 Cd N3 O7 -","- C120 H116 Cd4 N12 O28 -","4","1","","Wu, Lei; Chigan, Dongdong; Yan, Luke; Chen, Huaxin","Metal organic frameworks with uni-, di-, and tri-nuclear Cd(ii) SBU prepared from 1,3-bis(4-pyridyl)propane and different dicarboxylate ligands: syntheses, structures and luminescent properties","RSC Adv.","2017","7","10","5541","","10.1039/C6RA26855B","","","0.71073","MoKα","","0.0832","0.0576","","","0.1392","0.1626","","","","","","1.047","","","","has coordinates","190649","2020-10-21","18:00:00",""
"7227471","16.375","0.003","12.766","0.003","25.32","0.005","90","","98.43","0.03","90","","5235.8","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 Cd N2 O5 -","- C21 H18 Cd N2 O5 -","- C168 H144 Cd8 N16 O40 -","8","1","","Wu, Lei; Chigan, Dongdong; Yan, Luke; Chen, Huaxin","Metal organic frameworks with uni-, di-, and tri-nuclear Cd(ii) SBU prepared from 1,3-bis(4-pyridyl)propane and different dicarboxylate ligands: syntheses, structures and luminescent properties","RSC Adv.","2017","7","10","5541","","10.1039/C6RA26855B","","","0.71073","MoKα","","0.0692","0.0668","","","0.2401","0.2414","","","","","","1.24","","","","has coordinates","190649","2020-10-21","18:00:00",""
"7227472","53.6","0.011","13.976","0.003","47.389","0.009","90","","118.27","0.03","90","","31266","14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C234 H168 Cd12 N8 O73 -","- C234 H168 Cd12 N8 O73 -","- C936 H672 Cd48 N32 O292 -","4","0.5","","Wu, Lei; Chigan, Dongdong; Yan, Luke; Chen, Huaxin","Metal organic frameworks with uni-, di-, and tri-nuclear Cd(ii) SBU prepared from 1,3-bis(4-pyridyl)propane and different dicarboxylate ligands: syntheses, structures and luminescent properties","RSC Adv.","2017","7","10","5541","","10.1039/C6RA26855B","","","0.71073","MoKα","","0.1085","0.0681","","","0.1725","0.1924","","","","","","1.04","","","","has coordinates","190649","2020-10-21","18:00:00",""
"7227473","7.5863","0.0005","6.0552","0.0004","46.173","0.003","90","","90","","90","","2121","0.2","299","2","299","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2.38 H1.7 O0.17 S0.17 -","- C2.38298 H1.70213 O0.170213 S0.170213 -","- C112 H80 O8 S8 -","47","5.875","","Yao, Chao; Chen, Xiaolong; He, Yaowu; Guo, Yitong; Murtaza, Imran; Meng, Hong","Design and characterization of methoxy modified organic semiconductors based on phenyl[1]benzothieno[3,2-b][1]benzothiophene","RSC Adv.","2017","7","9","5514","","10.1039/C6RA28074A","","","1.54178","CuKα","","0.0624","0.0525","","","0.1351","0.1395","","","","","","1.159","","","","has coordinates","190650","2020-10-21","18:00:00",""
"7227482","12.444","0.002","14.557","0.003","17.393","0.003","94.102","0.004","105.644","0.004","101.451","0.003","2947.4","0.9","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H72 Cu2 N16 O82 P2 W24 -","- C44 H64 Cu2 N16 O82 P2 W24 -","- C44 H64 Cu2 N16 O82 P2 W24 -","1","0.5","","Tian, Aixiang; Ni, Huaiping; Ji, Xuebin; Tian, Yan; Liu, Guocheng; Ying, Jun","Using a flexible bis(pyrazol) ligand to construct four new Keggin-based compounds: syntheses, structures and properties","RSC Adv.","2017","7","10","5774","","10.1039/C6RA25156K","","","0.71073","MoKα","","0.1184","0.0705","","","0.1829","0.2172","","","","","","1.015","","","","has coordinates","190774","2020-10-21","18:00:00",""
"7227483","11.3926","0.001","28.008","0.002","17.0586","0.0014","90","","95.775","0.002","90","","5415.5","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H37 Cu N8 O42 P W12 -","- C22 H32 Cu N8 O42 P W12 -","- C88 H128 Cu4 N32 O168 P4 W48 -","4","1","","Tian, Aixiang; Ni, Huaiping; Ji, Xuebin; Tian, Yan; Liu, Guocheng; Ying, Jun","Using a flexible bis(pyrazol) ligand to construct four new Keggin-based compounds: syntheses, structures and properties","RSC Adv.","2017","7","10","5774","","10.1039/C6RA25156K","","","0.71073","MoKα","","0.0841","0.0435","","","0.0772","0.0896","","","","","","0.995","","","","has coordinates","190774","2020-10-21","18:00:00",""
"7227484","35.318","0.005","23.532","0.005","23.25","0.005","90","0.005","117.176","0.005","90","0.005","17190","6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H100 Cu2 N16 O58 Si W12 -","- C44 H56 Cu2 N16 O41 Si W12 -","- C352 H448 Cu16 N128 O328 Si8 W96 -","8","1","","Tian, Aixiang; Ni, Huaiping; Ji, Xuebin; Tian, Yan; Liu, Guocheng; Ying, Jun","Using a flexible bis(pyrazol) ligand to construct four new Keggin-based compounds: syntheses, structures and properties","RSC Adv.","2017","7","10","5774","","10.1039/C6RA25156K","","","0.71069","MoKα","","0.084","0.047","","","0.1087","0.125","","","","","","0.97","","","","has coordinates","190774","2020-10-21","18:00:00",""
"7227485","15.2377","0.0013","18.6736","0.0016","25.291","0.002","90","","97.928","0.002","90","","7127.6","1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H56 Cu2 N12 O44 Si W12 -","- C33 H46 Cu2 N12 O44 Si W12 -","- C132 H184 Cu8 N48 O176 Si4 W48 -","4","1","","Tian, Aixiang; Ni, Huaiping; Ji, Xuebin; Tian, Yan; Liu, Guocheng; Ying, Jun","Using a flexible bis(pyrazol) ligand to construct four new Keggin-based compounds: syntheses, structures and properties","RSC Adv.","2017","7","10","5774","","10.1039/C6RA25156K","","","0.71073","MoKα","","0.079","0.0402","","","0.0704","0.0805","","","","","","0.986","","","","has coordinates","190774","2020-10-21","18:00:00",""
"7227488","8.0218","0.0008","10.0798","0.001","11.6154","0.0012","83.984","0.001","83.174","0.001","76.697","0.001","904.6","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H26 N20 Zn2 -","- C36 H26 N20 Zn2 -","- C36 H26 N20 Zn2 -","1","0.5","","Wei, Qin; Wei, Mei-Juan; Ou, Yan-Jun; Zhang, Ji-Yuan; Huang, Xia; Cai, Yue-Peng; Si, Li-Ping","Formation and conversion of six temperature-dependent fluorescent ZnII-complexes containing two in situ formed N-rich heterocyclic ligands","RSC Adv.","2017","7","12","6994","","10.1039/C6RA25678C","","","0.71073","MoKα","","0.0633","0.0483","","","0.1387","0.1501","","","","","","1.032","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227489","18.13","0.003","18.615","0.003","13.827","0.002","90","","128.341","0.002","90","","3660.1","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N10 Zn -","- C18 H14 N10 Zn -","- C144 H112 N80 Zn8 -","8","1","","Wei, Qin; Wei, Mei-Juan; Ou, Yan-Jun; Zhang, Ji-Yuan; Huang, Xia; Cai, Yue-Peng; Si, Li-Ping","Formation and conversion of six temperature-dependent fluorescent ZnII-complexes containing two in situ formed N-rich heterocyclic ligands","RSC Adv.","2017","7","12","6994","","10.1039/C6RA25678C","","","0.71073","MoKα","","0.0825","0.0455","","","0.1137","0.1343","","","","","","1.021","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227490","8.73","0.002","13.047","0.004","15.56","0.004","90","","96.344","0.003","90","","1761.4","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Cl4 N8 Zn2 -","- C36 H26 Cl4 N8 Zn2 -","- C72 H52 Cl8 N16 Zn4 -","2","0.5","","Wei, Qin; Wei, Mei-Juan; Ou, Yan-Jun; Zhang, Ji-Yuan; Huang, Xia; Cai, Yue-Peng; Si, Li-Ping","Formation and conversion of six temperature-dependent fluorescent ZnII-complexes containing two in situ formed N-rich heterocyclic ligands","RSC Adv.","2017","7","12","6994","","10.1039/C6RA25678C","","","0.71073","MoKα","","0.0564","0.0395","","","0.1007","0.1099","","","","","","1.052","","","","has coordinates","190819","2020-10-21","18:00:00",""
"7227491","22.85","0.03","14.997","0.018","14.976","0.019","90","","127.339","0.014","90","","4080","9","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Cl4 N8 O Zn2 -","- C36 H26 Cl4 N8 Zn2 -","- C144 H104 Cl16 N32 Zn8 -","4","0.5","","Wei, Qin; Wei, Mei-Juan; Ou, Yan-Jun; Zhang, Ji-Yuan; Huang, Xia; Cai, Yue-Peng; Si, Li-Ping","Formation and conversion of six temperature-dependent fluorescent ZnII-complexes containing two in situ formed N-rich heterocyclic ligands","RSC Adv.","2017","7","12","6994","","10.1039/C6RA25678C","","","0.71073","MoKα","","0.0863","0.0515","","","0.1102","0.1239","","","","","","1.057","","","","has coordinates","190819","2020-10-21","18:00:00",""
"7227492","8.884","0.002","19.73","0.005","21.404","0.006","90","","93.623","0.004","90","","3744.2","1.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 N20 Zn2 -","- C36 H26 N20 Zn2 -","- C144 H104 N80 Zn8 -","4","1","","Wei, Qin; Wei, Mei-Juan; Ou, Yan-Jun; Zhang, Ji-Yuan; Huang, Xia; Cai, Yue-Peng; Si, Li-Ping","Formation and conversion of six temperature-dependent fluorescent ZnII-complexes containing two in situ formed N-rich heterocyclic ligands","RSC Adv.","2017","7","12","6994","","10.1039/C6RA25678C","","","0.71073","MoKα","","0.1211","0.06","","","0.1514","0.1849","","","","","","1.05","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227493","7.229","0.003","14.023","0.006","19.027","0.007","90","","95.403","0.005","90","","1920.2","1.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cl2 N4 Zn -","- C18 H14 Cl2 N4 Zn -","- C72 H56 Cl8 N16 Zn4 -","4","1","","Wei, Qin; Wei, Mei-Juan; Ou, Yan-Jun; Zhang, Ji-Yuan; Huang, Xia; Cai, Yue-Peng; Si, Li-Ping","Formation and conversion of six temperature-dependent fluorescent ZnII-complexes containing two in situ formed N-rich heterocyclic ligands","RSC Adv.","2017","7","12","6994","","10.1039/C6RA25678C","","","0.71073","MoKα","","0.0432","0.032","","","0.0748","0.0809","","","","","","1.027","","","","has coordinates","190819","2020-10-21","18:00:00",""
"7227494","9.6659","0.0019","10.381","0.002","23.145","0.005","82.71","0.03","81.94","0.03","83.31","0.03","2269.3","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H29 F9 Gd N3 O6 S3 -","- C45 H29 F9 Gd N3 O6 S3 -","- C90 H58 F18 Gd2 N6 O12 S6 -","2","1","","Liu, Lin; Fu, Guorui; Li, Baoning; Lü, Xingqiang; Wong, Wai-Kwok; Jones, Richard A.","Single-component Eu3±-Tb3±-Gd3±grafted polymer with ultra-high color rendering index white-light emission","RSC Adv.","2017","7","11","6762","","10.1039/C6RA26724F","","","0.71073","MoKα","","0.0811","0.0564","","","0.1389","0.1476","","","","","","1.056","","","","has coordinates","190820","2020-10-21","18:00:00",""
"7227495","9.672","0.0009","13.729","0.001","13.997","0.001","94.881","0.004","102.916","0.003","101.498","0.003","1758.8","0.2","183.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Cu2 Dy N5 O20 -","- C28 H28 Cu2 Dy N5 O20 -","- C56 H56 Cu4 Dy2 N10 O40 -","2","1","","Han, Zhisong; Peng, Jun; Liu, Li; Wang, Gang; Yu, Feng; Guo, Xuhong","Few-layer TiO2‒B nanosheets with N-doped graphene nanosheets as a highly robust anode for lithium-ion batteries","RSC Adv.","2017","7","13","7864","","10.1039/C6RA26929J","","","0.7107","MoKα","","","0.0321","","","","0.0957","","","","","","1.001","","","","has coordinates","190872","2020-10-21","18:00:00",""
"7227496","12.039","0.002","12.503","0.003","13.461","0.003","94.26","0.03","95.68","0.03","110.43","0.03","1876.5","0.8","301","2","301","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H29 Cl4 N4 O6 Re -","- C38 H29 Cl4 N4 O6 Re -","- C76 H58 Cl8 N8 O12 Re2 -","2","1","","Han, Zhisong; Peng, Jun; Liu, Li; Wang, Gang; Yu, Feng; Guo, Xuhong","Few-layer TiO2‒B nanosheets with N-doped graphene nanosheets as a highly robust anode for lithium-ion batteries","RSC Adv.","2017","7","13","7864","","10.1039/C6RA26929J","","","0.71069","MoKα","","0.0524","0.0428","","","0.1213","0.1337","","","","","","1.111","","","","has coordinates","190872","2020-10-21","18:00:00",""
"7227497","15.16","0.0009","10.0435","0.0004","16.1525","0.0009","90","","109.81","0.006","90","","2313.8","0.2","180","0.1","180","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 F6 N O4 S3 -","- C20 H15 F6 N O4 S3 -","- C80 H60 F24 N4 O16 S12 -","4","1","","Siu, Benjamin; Cassity, Cody G.; Benchea, Adela; Hamby, Taylor; Hendrich, Jeffrey; Strickland, Katie J.; Wierzbicki, Andrzej; Sykora, Richard E.; Salter, E. Alan; O'Brien, Richard A.; West, Kevin N.; Davis, James H.","Thermally robust: triarylsulfonium ionic liquids stable in air for 90 days at 300 °C","RSC Adv.","2017","7","13","7623","","10.1039/C6RA25774G","","x-ray","0.71073","MoKα","","0.0441","0.0344","","","0.0804","0.0866","","","","","","1.042","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227498","16.3379","0.0004","10.9218","0.0003","15.1158","0.0004","90","","106.795","0.003","90","","2582.2","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 N4 O2 Pd -","- C31 H24 N4 O2 Pd -","- C124 H96 N16 O8 Pd4 -","4","1","","Kumar, Pramod; Kumar, Vijay; Gupta, Rajeev","Selective fluorescent turn-off sensing of Pd2+ ion: applications as paper strips, polystyrene films, and in cell imaging","RSC Adv.","2017","7","13","7734","","10.1039/C6RA27565F","","","0.71073","MoKα","","0.0692","0.0442","","","0.0818","0.0909","","","","","","0.98","","","","has coordinates","190874","2020-10-21","18:00:00",""
"7227499","12.466","0.009","9.358","0.006","18.136","0.013","90","","90","","90","","2116","3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Ba8 Ga2 Se18 Sn7 -","- Ba8 Ga2 Se18 Sn7 -","- Ba16 Ga4 Se36 Sn14 -","2","0.25","","Li, Yan-Yan; Wang, Jin-Qiu; Liu, Peng-Fei; Lin, Hua; Chen, Ling; Wu, Li-Ming","Centrosymmetric to noncentrosymmetric structural transformation of new quaternary selenides induced by isolated dimeric [Sn2Se4] units: from Ba8Ga2Sn7Se18 to Ba10Ga2Sn9Se22","RSC Adv.","2017","7","14","8082","","10.1039/C6RA27253C","","","0.71073","MoKα","","0.049","0.0415","","","0.092","0.0959","","","","","","1.137","","","","has coordinates","190876","2020-10-21","18:00:00",""
"7227500","9.3844","0.0011","44.834","0.006","12.4159","0.0016","90","","90","","90","","5223.9","1.1","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- Ba10 Ga2 Se22 Sn9 -","- Ba10 Ga2 Se22 Sn9 -","- Ba40 Ga8 Se88 Sn36 -","4","0.5","","Li, Yan-Yan; Wang, Jin-Qiu; Liu, Peng-Fei; Lin, Hua; Chen, Ling; Wu, Li-Ming","Centrosymmetric to noncentrosymmetric structural transformation of new quaternary selenides induced by isolated dimeric [Sn2Se4] units: from Ba8Ga2Sn7Se18 to Ba10Ga2Sn9Se22","RSC Adv.","2017","7","14","8082","","10.1039/C6RA27253C","","","0.71073","MoKα","","0.048","0.0418","","","0.0873","0.0897","","","","","","0.981","","","","has coordinates","190876","2020-10-21","18:00:00",""
"7227501","9.7939","0.0015","10.1887","0.0017","12.694","0.002","112.876","0.005","93.064","0.005","111.984","0.004","1052.5","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H23 N O3 S -","- C24 H23 N O3 S -","- C48 H46 N2 O6 S2 -","2","1","","Hou, Yunlei; Qin, Mingze; Yang, Xiuxiu; Shen, Qi; Zhao, Yanfang; Liu, Yajing; Gong, Ping","Palladium-catalyzed three-component tandem cyclization of buta-2,3-dien-1-ol, aryl iodides, and imines: an efficient protocol for the synthesis of oxazolidine derivatives","RSC Adv.","2017","7","12","7401","","10.1039/C6RA27993G","","","0.71073","MoKα","","0.0665","0.049","","","0.1299","0.1468","","","","","","1.009","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227502","8.3296","0.0001","12.7403","0.0001","14.5548","0.0002","90","","92.654","0.001","90","","1542.92","0.03","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 Ag B Br4 F4 N2 -","- C10 H4 Ag B Br4 F4 N2 -","- C40 H16 Ag4 B4 Br16 F16 N8 -","4","1","","Aubert, E.; Abboud, M.; Doudouh, A.; Durand, P.; Peluso, P.; Ligresti, A.; Vigolo, B.; Cossu, S.; Pale, P.; Mamane, V.","Silver(i) coordination polymers with 3,3′,5,5′-tetrasubstituted 4,4′-bipyridine ligands: towards new porous chiral materials","RSC Adv.","2017","7","12","7358","","10.1039/C6RA28197D","","","0.7107","MoKα","","0.0369","0.0265","","","0.0639","0.0662","","","","","","1.057","","","","has coordinates","190878","2020-10-21","18:00:00",""
"7227503","15.1879","0.00013","22.0564","0.0017","11.4445","0.0001","90","","90","","90","","3833.8","0.3","110","2","110","2","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C11 H4 Ag Br4 F3 N2 O3 S -","- C11 H4 Ag Br4 F3 N2 O3 S -","- C88 H32 Ag8 Br32 F24 N16 O24 S8 -","8","0.5","","Aubert, E.; Abboud, M.; Doudouh, A.; Durand, P.; Peluso, P.; Ligresti, A.; Vigolo, B.; Cossu, S.; Pale, P.; Mamane, V.","Silver(i) coordination polymers with 3,3′,5,5′-tetrasubstituted 4,4′-bipyridine ligands: towards new porous chiral materials","RSC Adv.","2017","7","12","7358","","10.1039/C6RA28197D","","","1.54184","CuKα","","0.0205","0.0201","","","0.0548","0.0551","","","","","","1.059","","","","has coordinates","190878","2020-10-21","18:00:00",""
"7227504","11.405","0.0001","11.119","0.0001","23.0313","0.0003","90","","97.927","0.001","90","","2892.74","0.05","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25.5 H22 Ag Br2 N3 O6.5 -","- C25.5 H22 Ag Br2 N3 O6.5 -","- C102 H88 Ag4 Br8 N12 O26 -","4","2","","Aubert, E.; Abboud, M.; Doudouh, A.; Durand, P.; Peluso, P.; Ligresti, A.; Vigolo, B.; Cossu, S.; Pale, P.; Mamane, V.","Silver(i) coordination polymers with 3,3′,5,5′-tetrasubstituted 4,4′-bipyridine ligands: towards new porous chiral materials","RSC Adv.","2017","7","12","7358","","10.1039/C6RA28197D","","","0.71073","MoKα","","0.0619","0.0592","","","0.1482","0.1495","","","","","","1.163","","","","has coordinates","190878","2020-10-21","18:00:00",""
"7227505","11.5735","0.0001","30.6737","0.0002","13.4661","0.0001","90","","108.102","0.001","90","","4543.88","0.07","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H36 Ag Br4 N5 O7 -","- C48 H36 Ag Br4 N5 O7 -","- C192 H144 Ag4 Br16 N20 O28 -","4","1","","Aubert, E.; Abboud, M.; Doudouh, A.; Durand, P.; Peluso, P.; Ligresti, A.; Vigolo, B.; Cossu, S.; Pale, P.; Mamane, V.","Silver(i) coordination polymers with 3,3′,5,5′-tetrasubstituted 4,4′-bipyridine ligands: towards new porous chiral materials","RSC Adv.","2017","7","12","7358","","10.1039/C6RA28197D","","","1.5418","CuKα","","0.0272","0.0269","","","0.0631","0.0632","","","","","","1.051","","","","has coordinates","190878","2020-10-21","18:00:00",""
"7227506","7.1747","0.0001","11.7418","0.0001","16.5245","0.0001","90","","92.237","0.001","90","","1391.03","0.02","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 Ag Cl4 N3 O3 -","- C10 H4 Ag Cl4 N3 O3 -","- C40 H16 Ag4 Cl16 N12 O12 -","4","1","","Aubert, E.; Abboud, M.; Doudouh, A.; Durand, P.; Peluso, P.; Ligresti, A.; Vigolo, B.; Cossu, S.; Pale, P.; Mamane, V.","Silver(i) coordination polymers with 3,3′,5,5′-tetrasubstituted 4,4′-bipyridine ligands: towards new porous chiral materials","RSC Adv.","2017","7","12","7358","","10.1039/C6RA28197D","","","0.71073","MoKα","","0.0254","0.0193","","","0.0438","0.0459","","","","","","1.036","","","","has coordinates","190878","2020-10-21","18:00:00",""
"7227507","11.53665","0.00013","7.59398","0.0001","35.9275","0.0004","90","","95.6775","0.001","90","","3132.14","0.06","110","2","110","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C50 H20 Ag B Cl20 F4 N10 -","- C50 H20 Ag B Cl20 F4 N10 -","- C100 H40 Ag2 B2 Cl40 F8 N20 -","2","0.5","","Aubert, E.; Abboud, M.; Doudouh, A.; Durand, P.; Peluso, P.; Ligresti, A.; Vigolo, B.; Cossu, S.; Pale, P.; Mamane, V.","Silver(i) coordination polymers with 3,3′,5,5′-tetrasubstituted 4,4′-bipyridine ligands: towards new porous chiral materials","RSC Adv.","2017","7","12","7358","","10.1039/C6RA28197D","","","1.54184","CuKα","","0.0277","0.0245","","","0.0672","0.0681","","","","","","1.137","","","","has coordinates","190878","2020-10-21","18:00:00",""
"7227508","12.2195","0.0002","12.5892","0.0002","13.8909","0.0002","88.31","0.002","78.533","0.002","61.721","0.002","1839.1","0.06","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H14 Ag2 Cl8 F6 N4 O7 S2 -","- C24 H14 Ag2 Cl8 F6 N4 O7 S2 -","- C48 H28 Ag4 Cl16 F12 N8 O14 S4 -","2","1","","Aubert, E.; Abboud, M.; Doudouh, A.; Durand, P.; Peluso, P.; Ligresti, A.; Vigolo, B.; Cossu, S.; Pale, P.; Mamane, V.","Silver(i) coordination polymers with 3,3′,5,5′-tetrasubstituted 4,4′-bipyridine ligands: towards new porous chiral materials","RSC Adv.","2017","7","12","7358","","10.1039/C6RA28197D","","","1.5418","CuKα","","0.0213","0.0206","","","0.0525","0.0528","","","","","","1.048","","","","has coordinates","190878","2020-10-21","18:00:00",""
"7227509","21.9475","0.0006","7.8051","0.0002","19.9629","0.0005","90","","107.285","0.003","90","","3265.26","0.16","110","2","110","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Ag Br2 I2 N3 O4 -","- C10 H6 Ag Br2 I2 N3 O4 -","- C80 H48 Ag8 Br16 I16 N24 O32 -","8","1","","Aubert, E.; Abboud, M.; Doudouh, A.; Durand, P.; Peluso, P.; Ligresti, A.; Vigolo, B.; Cossu, S.; Pale, P.; Mamane, V.","Silver(i) coordination polymers with 3,3′,5,5′-tetrasubstituted 4,4′-bipyridine ligands: towards new porous chiral materials","RSC Adv.","2017","7","12","7358","","10.1039/C6RA28197D","","","1.5418","CuKα","","0.0383","0.0379","","","0.0904","0.0905","","","","","","1.218","","","","has coordinates","190878","2020-10-21","18:00:00",""
"7227510","7.40984","0.00006","12.03342","0.00009","16.56423","0.00014","90","","94.4891","0.0007","90","","1472.43","0.02","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 Ag Br4 N3 O3 -","- C10 H4 Ag Br4 N3 O3 -","- C40 H16 Ag4 Br16 N12 O12 -","4","1","","Aubert, E.; Abboud, M.; Doudouh, A.; Durand, P.; Peluso, P.; Ligresti, A.; Vigolo, B.; Cossu, S.; Pale, P.; Mamane, V.","Silver(i) coordination polymers with 3,3′,5,5′-tetrasubstituted 4,4′-bipyridine ligands: towards new porous chiral materials","RSC Adv.","2017","7","12","7358","","10.1039/C6RA28197D","","","0.71073","MoKα","","0.0301","0.0242","","","0.0562","0.0578","","","","","","1.02","","","","has coordinates","190878","2020-10-21","18:00:00",""
"7227511","7.0404","0.0001","11.1885","0.0002","11.4664","0.0001","69.987","0.001","76.954","0.001","75.036","0.001","810.46","0.02","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H6 Ag Cl2 I2 N3 O4 -","- C10 H6 Ag Cl2 I2 N3 O4 -","- C20 H12 Ag2 Cl4 I4 N6 O8 -","2","1","","Aubert, E.; Abboud, M.; Doudouh, A.; Durand, P.; Peluso, P.; Ligresti, A.; Vigolo, B.; Cossu, S.; Pale, P.; Mamane, V.","Silver(i) coordination polymers with 3,3′,5,5′-tetrasubstituted 4,4′-bipyridine ligands: towards new porous chiral materials","RSC Adv.","2017","7","12","7358","","10.1039/C6RA28197D","","","0.71073","MoKα","","0.0331","0.0274","","","0.0582","0.0602","","","","","","1.158","","","","has coordinates","190878","2020-10-21","18:00:00",""
"7227512","13.8267","0.0001","11.6089","0.0001","25.4608","0.0003","90","","106.841","0.001","90","","3911.51","0.07","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H12 Ag Cl12 N7 O3 -","- C30 H12 Ag Cl12 N7 O3 -","- C120 H48 Ag4 Cl48 N28 O12 -","4","1","","Aubert, E.; Abboud, M.; Doudouh, A.; Durand, P.; Peluso, P.; Ligresti, A.; Vigolo, B.; Cossu, S.; Pale, P.; Mamane, V.","Silver(i) coordination polymers with 3,3′,5,5′-tetrasubstituted 4,4′-bipyridine ligands: towards new porous chiral materials","RSC Adv.","2017","7","12","7358","","10.1039/C6RA28197D","","","0.71073","MoKα","","0.0343","0.0283","","","0.063","0.0657","","","","","","1.087","","","","has coordinates","301865","2025-08-22","16:17:11",""
"7227541","5.505","0.0011","9.61","0.0019","16.517","0.003","99.15","0.03","98.7","0.03","100.8","0.03","832.5","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","1-phenyl-3-(1-pyrenyl) prop-2-en-1-one","","- C25 H16 O -","- C25 H16 O -","- C50 H32 O2 -","2","1","","Yu, Fangfang; Wang, Mingliang; Sun, Hao; Shan, Yaqi; Du, Man; Khan, Arshad; Usman, Rabia; Zhang, Wei; Shan, Hongbin; Xu, Chunxiang","Tuning the solid-state fluorescence of chalcone crystals via molecular coplanarity and J-aggregate formation","RSC Adv.","2017","7","14","8491","","10.1039/C6RA27458G","","","0.71073","MoKα","","0.2175","0.096","","","0.1651","0.2068","","","","","","1.002","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227542","5.432","0.0011","19.431","0.004","16.208","0.003","90","","95.65","0.03","90","","1702.4","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-(9-anthryl)-1-(4-chloro) prop-2-en-1-one","","- C23 H15 Cl O -","- C23 H15 Cl O -","- C92 H60 Cl4 O4 -","4","1","","Yu, Fangfang; Wang, Mingliang; Sun, Hao; Shan, Yaqi; Du, Man; Khan, Arshad; Usman, Rabia; Zhang, Wei; Shan, Hongbin; Xu, Chunxiang","Tuning the solid-state fluorescence of chalcone crystals via molecular coplanarity and J-aggregate formation","RSC Adv.","2017","7","14","8491","","10.1039/C6RA27458G","","","0.71073","MoKα","","0.198","0.0841","","","0.1314","0.1644","","","","","","1.001","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227543","31.234","0.006","4.818","0.001","11.669","0.002","90","","90","","90","","1756","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-(1-pyrenyl)-1-(4-chlorophenyl) prop-2-en-1-one","","- C25 H15 Cl O -","- C25 H15 Cl O -","- C100 H60 Cl4 O4 -","4","1","","Yu, Fangfang; Wang, Mingliang; Sun, Hao; Shan, Yaqi; Du, Man; Khan, Arshad; Usman, Rabia; Zhang, Wei; Shan, Hongbin; Xu, Chunxiang","Tuning the solid-state fluorescence of chalcone crystals via molecular coplanarity and J-aggregate formation","RSC Adv.","2017","7","14","8491","","10.1039/C6RA27458G","","","0.71073","MoKα","","0.1937","0.071","","","0.0861","0.1172","","","","","","1.004","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227544","10.831","0.002","10.431","0.002","30.703","0.006","90","","90","","90","","3468.8","1.1","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-(9-anthryl)-1-(4-chloro) prop-2-en-1-one","","- C23 H15 Cl O -","- C23 H15 Cl O -","- C184 H120 Cl8 O8 -","8","2","","Yu, Fangfang; Wang, Mingliang; Sun, Hao; Shan, Yaqi; Du, Man; Khan, Arshad; Usman, Rabia; Zhang, Wei; Shan, Hongbin; Xu, Chunxiang","Tuning the solid-state fluorescence of chalcone crystals via molecular coplanarity and J-aggregate formation","RSC Adv.","2017","7","14","8491","","10.1039/C6RA27458G","","","0.71073","MoKα","","0.1141","0.0551","","","0.0969","0.1132","","","","","","0.998","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227545","4.672","0.0009","22.405","0.005","8.21","0.0016","90","","106.02","0.03","90","","826","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1-phenyl-3-(1-pyrenyl) prop-2-en-1-one","","- C25 H16 O -","- C25 H16 O -","- C50 H32 O2 -","2","1","","Yu, Fangfang; Wang, Mingliang; Sun, Hao; Shan, Yaqi; Du, Man; Khan, Arshad; Usman, Rabia; Zhang, Wei; Shan, Hongbin; Xu, Chunxiang","Tuning the solid-state fluorescence of chalcone crystals via molecular coplanarity and J-aggregate formation","RSC Adv.","2017","7","14","8491","","10.1039/C6RA27458G","","","0.71073","MoKα","","0.1169","0.0569","","","0.1087","0.1284","","","","","","1.002","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227546","30.665","0.006","5.507","0.0011","21.295","0.004","90","","92.38","0.03","90","","3593","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","3-(1-pyrenyl)-1-(4-chlorophenyl) prop-2-en-1-one","","- C25 H15 Cl O -","- C25 H15 Cl O -","- C200 H120 Cl8 O8 -","8","1","","Yu, Fangfang; Wang, Mingliang; Sun, Hao; Shan, Yaqi; Du, Man; Khan, Arshad; Usman, Rabia; Zhang, Wei; Shan, Hongbin; Xu, Chunxiang","Tuning the solid-state fluorescence of chalcone crystals via molecular coplanarity and J-aggregate formation","RSC Adv.","2017","7","14","8491","","10.1039/C6RA27458G","","","0.71073","MoKα","","0.2216","0.0986","","","0.2173","0.2764","","","","","","1.002","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227547","28.811","0.006","5.488","0.0011","21.784","0.004","90","","100.25","0.03","90","","3389.4","1.2","293","2","293","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","1-phenyl-3-(1-pyrenyl) prop-2-en-1-one","","- C25 H16 O -","- C25 H16 O -","- C200 H128 O8 -","8","2","","Yu, Fangfang; Wang, Mingliang; Sun, Hao; Shan, Yaqi; Du, Man; Khan, Arshad; Usman, Rabia; Zhang, Wei; Shan, Hongbin; Xu, Chunxiang","Tuning the solid-state fluorescence of chalcone crystals via molecular coplanarity and J-aggregate formation","RSC Adv.","2017","7","14","8491","","10.1039/C6RA27458G","","","0.71073","MoKα","","0.1715","0.0693","","","0.1072","0.1313","","","","","","1.001","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227548","7.387","0.0015","7.847","0.0016","32.089","0.006","90","","94","0.03","90","","1855.5","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(1-pyrenyl)-1-(4-nitrophenyl) prop-2-en-1-one","","- C25 H15 N O3 -","- C25 H15 N O3 -","- C100 H60 N4 O12 -","4","1","","Yu, Fangfang; Wang, Mingliang; Sun, Hao; Shan, Yaqi; Du, Man; Khan, Arshad; Usman, Rabia; Zhang, Wei; Shan, Hongbin; Xu, Chunxiang","Tuning the solid-state fluorescence of chalcone crystals via molecular coplanarity and J-aggregate formation","RSC Adv.","2017","7","14","8491","","10.1039/C6RA27458G","","","0.71073","MoKα","","0.2004","0.0777","","","0.1285","0.1651","","","","","","1","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227549","18.377","0.004","7.9014","0.0016","17.239","0.003","90","","99.43","0.03","90","","2469.3","0.9","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","meso-asaronan A","","- C24 H34 O9 -","- C24 H34 O9 -","- C96 H136 O36 -","4","1","","Qin, Da-Peng; Feng, Xiao-Lin; Zhang, Wei-Yang; Gao, Hao; Cheng, Xiao-Rui; Zhou, Wen-Xia; Yu, Yang; Yao, Xin-Sheng","Anti-neuroinflammatory asarone derivatives from the rhizomes of Acorus tatarinowii","RSC Adv.","2017","7","14","8512","","10.1039/C6RA27786A","","","0.71073","MoKα","","0.0756","0.0554","","","0.1342","0.1473","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227550","14.3231","0.0005","23.3774","0.0006","16.4367","0.0005","90","","90","","90","","5503.6","0.3","107","","107","","","","","","","","","3","P n 21 a","P -2ac -2n","33","","asarolignan B","","- C49 H78 O23.9 -","- C49 H78 O23.9 -","- C196 H312 O95.6 -","4","1","","Qin, Da-Peng; Feng, Xiao-Lin; Zhang, Wei-Yang; Gao, Hao; Cheng, Xiao-Rui; Zhou, Wen-Xia; Yu, Yang; Yao, Xin-Sheng","Anti-neuroinflammatory asarone derivatives from the rhizomes of Acorus tatarinowii","RSC Adv.","2017","7","14","8512","","10.1039/C6RA27786A","","","0.71073","MoKα","","0.0967","0.0697","","","0.1642","0.1815","","","","","","1.069","","","","has coordinates,has disorder","191008","2020-10-21","18:00:00",""
"7227551","7.571","0.0002","15.1433","0.0004","18.9868","0.0006","90","","112.489","0.003","90","","2011.29","0.11","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","asaroquinone A","","- C22 H24 O6 -","- C22 H24 O6 -","- C88 H96 O24 -","4","1","","Qin, Da-Peng; Feng, Xiao-Lin; Zhang, Wei-Yang; Gao, Hao; Cheng, Xiao-Rui; Zhou, Wen-Xia; Yu, Yang; Yao, Xin-Sheng","Anti-neuroinflammatory asarone derivatives from the rhizomes of Acorus tatarinowii","RSC Adv.","2017","7","14","8512","","10.1039/C6RA27786A","","","1.54178","CuKα","","0.046","0.0382","","","0.0947","0.1028","","","","","","1.037","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227552","11.7316","0.0005","25.2812","0.0008","8.4293","0.0002","90","","97.814","0.003","90","","2476.82","0.15","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","asarolignan D","","- C25 H36 O7 -","- C25 H36 O7 -","- C100 H144 O28 -","4","1","","Qin, Da-Peng; Feng, Xiao-Lin; Zhang, Wei-Yang; Gao, Hao; Cheng, Xiao-Rui; Zhou, Wen-Xia; Yu, Yang; Yao, Xin-Sheng","Anti-neuroinflammatory asarone derivatives from the rhizomes of Acorus tatarinowii","RSC Adv.","2017","7","14","8512","","10.1039/C6RA27786A","","","1.54178","CuKα","","0.0669","0.0498","","","0.1273","0.1435","","","","","","1.04","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227556","21.7917","0.0019","11.2285","0.001","7.3897","0.0006","90","","90","","90","","1808.2","0.3","147","2","147","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H22 B F2 N3 O2 -","- C19 H22 B F2 N3 O2 -","- C76 H88 B4 F8 N12 O8 -","4","1","","Sritharan, S. R.; Hussein, B. A.; Machin, D. D.; El-Aooiti, M. A.; Adjei, J. A.; Singh, J. K.; Pau, J. T. H.; Dhindsa, J. S.; Lough, A. J.; Koivisto, B. D.","Managing nucleophilic addition reactions to tune the physical properties of 2-substituted pentamethylBODIPY derivatives","RSC Adv.","2017","7","15","8922","","10.1039/C6RA28114A","","","0.71073","MoKα","","0.1199","0.0492","","","0.0895","0.1116","","","","","","0.967","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227557","8.5314","0.0008","10.7672","0.0009","21.276","0.002","90","","96.381","0.007","90","","1942.3","0.3","147","2","147","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 B F2 N2 O -","- C21 H27 B F2 N2 O -","- C84 H108 B4 F8 N8 O4 -","4","1","","Sritharan, S. R.; Hussein, B. A.; Machin, D. D.; El-Aooiti, M. A.; Adjei, J. A.; Singh, J. K.; Pau, J. T. H.; Dhindsa, J. S.; Lough, A. J.; Koivisto, B. D.","Managing nucleophilic addition reactions to tune the physical properties of 2-substituted pentamethylBODIPY derivatives","RSC Adv.","2017","7","15","8922","","10.1039/C6RA28114A","","","1.54178","CuKα","","0.0835","0.0492","","","0.1162","0.1331","","","","","","1.022","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227603","8.7564","0.0018","9.2855","0.0018","12.643","0.003","108.548","0.004","95.167","0.004","96.016","0.004","960.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H15 Cl N4 O3 -","- C22 H15 Cl N4 O3 -","- C44 H30 Cl2 N8 O6 -","2","1","","Gu, Linghui; Wang, Peng; Zhong, Qiu; Deng, Yuxing; Xie, Jiangping; Liu, Fei; Xiao, Fan; Zheng, Shilong; Chen, Yue; Wang, Guangdi; He, Ling","Copper salt-catalyzed formation of a novel series of triazole–spirodienone conjugates with potent anticancer activity","RSC Adv.","2017","7","16","9412","","10.1039/C6RA24764D","","","0.71073","MoKα","","0.0707","0.0533","","","0.1492","0.1652","","","","","","1.025","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227604","13.3996","0.0018","12.191","0.002","22.958","0.003","90","","90","","90","","3750.3","0.9","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H23 N3 O -","- C24 H23 N3 O -","- C192 H184 N24 O8 -","8","1","","Zhao, Hong-Wu; Pang, Hai-Liang; Zhao, Yu-Di; Liu, Yue-Yang; Zhao, Li-Jiao; Chen, Xiao-Qin; Song, Xiu-Qing; Feng, Ning-Ning; Du, Juan","Construction of 2,3,4,5-tetrahydro-1,2,4-triazines via [4 + 2] cycloaddition of α-halogeno hydrazones to imines","RSC Adv.","2017","7","15","9264","","10.1039/C6RA27767E","","","0.71073","MoKα","","0.0377","0.0343","","","0.0915","0.0934","","","","","","1.069","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227605","12.6799","0.0005","8.8317","0.0003","15.5666","0.0006","90","","109.439","0.004","90","","1643.86","0.11","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H46 N2 O2 -","- C40 H46 N2 O2 -","- C80 H92 N4 O4 -","2","0.5","","Kurzep, Piotr; Skórka, Łukasz; Zagorska, Malgorzata; Guńka, Piotr A.; Banasiewicz, Marzena; Kozankiewicz, Bolesław; Kulszewicz-Bajer, Irena","New quinacridone derivatives with π-extended conjugation in central core","RSC Adv.","2017","7","14","8627","","10.1039/C6RA28567H","","x-ray","1.54184","CuKα","","0.0677","0.0559","","","0.1639","0.1781","","","","","","1.072","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227606","11.579","0.0008","9.4791","0.0005","30.0335","0.0019","90","","90","","90","","3296.4","0.4","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H18 N4 O -","- C19 H18 N4 O -","- C152 H144 N32 O8 -","8","1","","Kopchuk, Dmitry S.; Chepchugov, Nikolay V.; Kovalev, Igor S.; Santra, Sougata; Rahman, Matiur; Giri, Kousik; Zyryanov, Grigory V.; Majee, Adinath; Charushin, Valery N.; Chupakhin, Oleg N.","Solvent-free synthesis of 5-(aryl/alkyl)amino-1,2,4-triazines and α-arylamino-2,2′-bipyridines with greener prospects","RSC Adv.","2017","7","16","9610","","10.1039/C6RA26305D","","","0.7107","MoKα","","0.1113","0.0514","","","0.1237","0.1607","","","","","","1.001","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227607","7.8721","0.0003","8.4927","0.0003","10.4598","0.0004","68.931","0.002","89.853","0.002","77.388","0.002","634.58","0.04","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","ethyl (E)-4-(pyrrolidin-1-yldiazenyl)benzoate","","- C13 H17 N3 O2 -","- C13 H17 N3 O2 -","- C26 H34 N6 O4 -","2","1","","Petrović, Martina; Scarpi, Dina; Nieger, Martin; Jung, Nicole; Occhiato, Ernesto G.; Bräse, Stefan","Oxidation of diazenyl-protected N-heterocycles – a new entry to functionalized lactams","RSC Adv.","2017","7","16","9461","","10.1039/C6RA26546D","","","1.54178","CuKα","","0.0475","0.0367","","","0.0888","0.0944","","","","","","1.043","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227608","5.9831","0.0005","33.308","0.003","7.7858","0.0007","90","","93.355","0.002","90","","1548.9","0.2","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-(3,4-dihydro-1H-isoquinolin-2-ylazo)-benzoic acid ethyl ester","","- C18 H19 N3 O2 -","- C18 H19 N3 O2 -","- C72 H76 N12 O8 -","4","1","","Petrović, Martina; Scarpi, Dina; Nieger, Martin; Jung, Nicole; Occhiato, Ernesto G.; Bräse, Stefan","Oxidation of diazenyl-protected N-heterocycles – a new entry to functionalized lactams","RSC Adv.","2017","7","16","9461","","10.1039/C6RA26546D","","","1.54178","CuKα","","0.036","0.0349","","","0.0892","0.0901","","","","","","1.049","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227609","14.7907","0.0003","7.09","0.0002","12.8103","0.0003","90","","98.877","0.001","90","","1327.27","0.06","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl (E)-4-((2-oxopiperidin-1-yl)diazenyl)benzoate","","- C14 H17 N3 O3 -","- C14 H17 N3 O3 -","- C56 H68 N12 O12 -","4","1","","Petrović, Martina; Scarpi, Dina; Nieger, Martin; Jung, Nicole; Occhiato, Ernesto G.; Bräse, Stefan","Oxidation of diazenyl-protected N-heterocycles – a new entry to functionalized lactams","RSC Adv.","2017","7","16","9461","","10.1039/C6RA26546D","","","1.54178","CuKα","","0.0389","0.0335","","","0.0864","0.0899","","","","","","1.064","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227613","13.7987","0.0005","11.449","0.0005","12.1306","0.0006","90","","96.794","0.004","90","","1902.95","0.14","127.3","0.6","127.3","0.6","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C16 H14 Ag B F4 N6 O2 -","- C16 H14 Ag B F4 N6 O2 -","- C64 H56 Ag4 B4 F16 N24 O8 -","4","0.5","","Ding, Bin; Wu, Jie; Wu, Xiang Xia; Huo, Jian Zhong; Zhu, Zhao Zhou; Liu, Yuan Yuan; Shi, Fang Xue","Syntheses, structural diversities and characterization of a series of coordination polymers with two isomeric oxadiazol-pyridine ligands","RSC Adv.","2017","7","16","9704","","10.1039/C6RA28153B","","x-ray","0.71073","MoKα","","0.0439","0.0414","","","0.1115","0.1137","","","","","","1.094","","","","has coordinates,has disorder","191222","2020-10-21","18:00:00",""
"7227614","8.1723","0.0005","19.7588","0.0012","8.6182","0.0005","90","","107.041","0.001","90","","1330.52","0.14","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C9 H7 Ag F3 N3 O4 S -","- C9 H7 Ag F3 N3 O4 S -","- C36 H28 Ag4 F12 N12 O16 S4 -","4","1","","Ding, Bin; Wu, Jie; Wu, Xiang Xia; Huo, Jian Zhong; Zhu, Zhao Zhou; Liu, Yuan Yuan; Shi, Fang Xue","Syntheses, structural diversities and characterization of a series of coordination polymers with two isomeric oxadiazol-pyridine ligands","RSC Adv.","2017","7","16","9704","","10.1039/C6RA28153B","","","0.71073","MoKα","","0.0343","0.0289","","","0.0709","0.0731","","","","","","1.069","","","","has coordinates","191222","2020-10-21","18:00:00",""
"7227615","8.9845","0.0005","10.6321","0.0006","11.8557","0.0007","90","","107.885","0.002","90","","1077.78","0.11","300","2","300","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14.5 Cu N8 O2.5 S2 -","- C18 H14 Cu N8 O2.5 S2 -","- C36 H28 Cu2 N16 O5 S4 -","2","0.5","","Ding, Bin; Wu, Jie; Wu, Xiang Xia; Huo, Jian Zhong; Zhu, Zhao Zhou; Liu, Yuan Yuan; Shi, Fang Xue","Syntheses, structural diversities and characterization of a series of coordination polymers with two isomeric oxadiazol-pyridine ligands","RSC Adv.","2017","7","16","9704","","10.1039/C6RA28153B","","","0.71073","MoKα","","0.0445","0.034","","","0.0803","0.0874","","","","","","1.045","","","","has coordinates","191222","2020-10-21","18:00:00",""
"7227616","25.8009","0.0018","8.5402","0.0006","7.8195","0.0005","90","","100.454","0.002","90","","1694.4","0.2","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H11 Cd N9 O3 -","- C12 H11 Cd N9 O3 -","- C48 H44 Cd4 N36 O12 -","4","1","","Ding, Bin; Wu, Jie; Wu, Xiang Xia; Huo, Jian Zhong; Zhu, Zhao Zhou; Liu, Yuan Yuan; Shi, Fang Xue","Syntheses, structural diversities and characterization of a series of coordination polymers with two isomeric oxadiazol-pyridine ligands","RSC Adv.","2017","7","16","9704","","10.1039/C6RA28153B","","","0.71073","MoKα","","0.0231","0.022","","","0.0594","0.0604","","","","","","1.011","","","","has coordinates","191222","2020-10-21","18:00:00",""
"7227617","12.402","0.004","15.825","0.005","14.732","0.005","90","","112.998","0.011","90","","2661.5","1.5","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 Cd2 N10 O2 S4 -","- C20 H14 Cd2 N10 O2 S4 -","- C80 H56 Cd8 N40 O8 S16 -","4","0.5","","Ding, Bin; Wu, Jie; Wu, Xiang Xia; Huo, Jian Zhong; Zhu, Zhao Zhou; Liu, Yuan Yuan; Shi, Fang Xue","Syntheses, structural diversities and characterization of a series of coordination polymers with two isomeric oxadiazol-pyridine ligands","RSC Adv.","2017","7","16","9704","","10.1039/C6RA28153B","","","0.71073","MoKα","","0.0363","0.0292","","","0.0719","0.0934","","","","","","1.168","","","","has coordinates","191222","2020-10-21","18:00:00",""
"7227618","8.6773","0.0011","15.4665","0.0019","18.997","0.002","77.458","0.003","82.51","0.003","76.521","0.002","2411.6","0.5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H28 Ag3 F9 N12 O13 S3 -","- C35 H28 Ag3 F9 N12 O13 S3 -","- C70 H56 Ag6 F18 N24 O26 S6 -","2","1","","Ding, Bin; Wu, Jie; Wu, Xiang Xia; Huo, Jian Zhong; Zhu, Zhao Zhou; Liu, Yuan Yuan; Shi, Fang Xue","Syntheses, structural diversities and characterization of a series of coordination polymers with two isomeric oxadiazol-pyridine ligands","RSC Adv.","2017","7","16","9704","","10.1039/C6RA28153B","","","0.71073","MoKα","","0.0956","0.0482","","","0.0946","0.118","","","","","","1.016","","","","has coordinates","191222","2020-10-21","18:00:00",""
"7227619","9.0183","0.0013","10.8981","0.0017","19.524","0.003","104.313","0.003","91.093","0.003","112.549","0.003","1703.2","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H21 Ag2 F12 N9 O3 P2 -","- C24 H21 Ag2 F12 N9 O3 P2 -","- C48 H42 Ag4 F24 N18 O6 P4 -","2","1","","Ding, Bin; Wu, Jie; Wu, Xiang Xia; Huo, Jian Zhong; Zhu, Zhao Zhou; Liu, Yuan Yuan; Shi, Fang Xue","Syntheses, structural diversities and characterization of a series of coordination polymers with two isomeric oxadiazol-pyridine ligands","RSC Adv.","2017","7","16","9704","","10.1039/C6RA28153B","","","0.71073","MoKα","","0.0858","0.0549","","","0.1389","0.159","","","","","","1.056","","","","has coordinates","191222","2020-10-21","18:00:00",""
"7227620","14.0427","0.0013","10.023","0.001","7.5702","0.0007","90","","102.733","0.003","90","","1039.3","0.17","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cd N8 O2 S2 -","- C18 H14 Cd N8 O2 S2 -","- C36 H28 Cd2 N16 O4 S4 -","2","0.5","","Ding, Bin; Wu, Jie; Wu, Xiang Xia; Huo, Jian Zhong; Zhu, Zhao Zhou; Liu, Yuan Yuan; Shi, Fang Xue","Syntheses, structural diversities and characterization of a series of coordination polymers with two isomeric oxadiazol-pyridine ligands","RSC Adv.","2017","7","16","9704","","10.1039/C6RA28153B","","","0.71073","MoKα","","0.0363","0.0297","","","0.0649","0.0684","","","","","","1.056","","","","has coordinates","191222","2020-10-21","18:00:00",""
"7227621","11.5","0.006","12.19","0.007","12.237","0.006","69.738","0.008","70.732","0.008","70.189","0.008","1469.5","1.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H31 Cl N6 O4 -","- C31 H31 Cl N6 O4 -","- C62 H62 Cl2 N12 O8 -","2","1","","Li, Yinhua; Guo, Jixi; Liu, Anjie; Jia, Dianzeng; Wu, Xueyan; Chen, Yi","Synthesis, mechanism and efficient modulation of a fluorescence dye by photochromic pyrazolone with energy transfer in the crystalline state","RSC Adv.","2017","7","16","9847","","10.1039/C6RA27937F","","","0.71073","MoKα","","0.1255","0.0664","","","0.1723","0.2084","","","","","","1.006","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227622","8.3676","0.0008","17.9504","0.0016","18.8093","0.0018","90","","97.692","0.002","90","","2799.8","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H27 N O5 S -","- C33 H27 N O5 S -","- C132 H108 N4 O20 S4 -","4","1","","Li, Jie; Hao, Wen-Juan; Zhou, Peng; Zhu, Yi-Long; Wang, Shu-Liang; Tu, Shu-Jiang; Jiang, Bo","Oxidative bicyclization of N-tethered 1,7-enynes toward polycyclic 3,4-dihydroquinolin-2(1H)-ones via site-selective decarboxylative C(sp3)–H functionalization","RSC Adv.","2017","7","16","9693","","10.1039/C6RA28589A","","","0.71073","MoKα","","0.1438","0.0528","","","0.0873","0.1056","","","","","","1.014","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227623","8.2654","0.0007","11.9303","0.0009","12.0829","0.0011","89.065","0.002","89.854","0.001","90.304","0.001","1191.3","0.17","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H24 Cl N O3 S -","- C27 H24 Cl N O3 S -","- C54 H48 Cl2 N2 O6 S2 -","2","1","","Li, Jie; Hao, Wen-Juan; Zhou, Peng; Zhu, Yi-Long; Wang, Shu-Liang; Tu, Shu-Jiang; Jiang, Bo","Oxidative bicyclization of N-tethered 1,7-enynes toward polycyclic 3,4-dihydroquinolin-2(1H)-ones via site-selective decarboxylative C(sp3)–H functionalization","RSC Adv.","2017","7","16","9693","","10.1039/C6RA28589A","","","0.71073","MoKα","","0.1115","0.0674","","","0.1718","0.2008","","","","","","1.031","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227630","19.392","0.005","12.369","0.005","18.099","0.005","90","0.005","110.204","0.005","90","0.005","4074","2","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","SB-NS-371","","- C8 H9 F3 N2 S -","- C8 H9 F3 N2 S -","- C128 H144 F48 N32 S16 -","16","4","","Sharma, N.; Kumari, N.; Chundawat, T. S.; Kumar, S.; Bhagat, S.","Efficient trifluoromethylation of C(sp2)–H functionalized α-oxoketene dithioacetals: a route to the regioselective synthesis of functionalized trifluoromethylated pyrazoles","RSC Adv.","2017","7","17","10150","","10.1039/C7RA01130J","","","0.71073","MoKα","","0.2134","0.1116","","","0.2682","0.3318","","","","","","1.071","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227631","13.456","0.005","10.034","0.005","22.429","0.005","90","0.005","90","0.005","90","0.005","3028","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","SB-NS-357","","- C14 H11 F3 O2 S2 -","- C14 H11 F3 O2 S2 -","- C112 H88 F24 O16 S16 -","8","1","","Sharma, N.; Kumari, N.; Chundawat, T. S.; Kumar, S.; Bhagat, S.","Efficient trifluoromethylation of C(sp2)–H functionalized α-oxoketene dithioacetals: a route to the regioselective synthesis of functionalized trifluoromethylated pyrazoles","RSC Adv.","2017","7","17","10150","","10.1039/C7RA01130J","","","0.71073","MoKα","","0.0583","0.047","","","0.1121","0.1175","","","","","","1.087","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227632","9.4554","0.0003","11.8767","0.0003","10.4401","0.0002","90","","91.738","0.002","90","","1171.87","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","Smirnov, Andrey S.; Nikolaev, Dmitriy N.; Gurzhiy, Vlad V.; Smirnov, Sergey N.; Suslonov, Vitaliy S.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Conformational stabilization of isatin Schiff bases – biologically active chemical probes","RSC Adv.","2017","7","17","10070","","10.1039/C6RA26779C","","","1.54184","CuKα","","0.0421","0.037","","","0.0929","0.097","","","","","","1.051","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227633","10.2483","0.0003","8.1749","0.0002","16.2529","0.0006","90","","102.182","0.003","90","","1330.99","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C68 H64 N8 O4 -","4","1","","Smirnov, Andrey S.; Nikolaev, Dmitriy N.; Gurzhiy, Vlad V.; Smirnov, Sergey N.; Suslonov, Vitaliy S.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Conformational stabilization of isatin Schiff bases – biologically active chemical probes","RSC Adv.","2017","7","17","10070","","10.1039/C6RA26779C","","","0.71073","MoKα","","0.0434","0.0377","","","0.0924","0.0965","","","","","","1.037","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227634","8.5182","0.0006","29.4795","0.0014","8.4782","0.0005","90","","115.15","0.008","90","","1927.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N2 O -","- C23 H28 N2 O -","- C92 H112 N8 O4 -","4","1","","Smirnov, Andrey S.; Nikolaev, Dmitriy N.; Gurzhiy, Vlad V.; Smirnov, Sergey N.; Suslonov, Vitaliy S.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Conformational stabilization of isatin Schiff bases – biologically active chemical probes","RSC Adv.","2017","7","17","10070","","10.1039/C6RA26779C","","","0.71073","MoKα","","0.0598","0.047","","","0.0994","0.1053","","","","","","1.07","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227635","7.8377","0.0002","8.33995","0.00019","31.7116","0.0006","85.8492","0.0017","85.7112","0.0018","69.989","0.002","1939.84","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N3 O3 -","- C24 H19 N3 O3 -","- C96 H76 N12 O12 -","4","2","","Smirnov, Andrey S.; Nikolaev, Dmitriy N.; Gurzhiy, Vlad V.; Smirnov, Sergey N.; Suslonov, Vitaliy S.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Conformational stabilization of isatin Schiff bases – biologically active chemical probes","RSC Adv.","2017","7","17","10070","","10.1039/C6RA26779C","","","1.54184","CuKα","","0.0637","0.0608","","","0.1443","0.1456","","","","","","1.203","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227636","23.6723","0.0011","19.9737","0.0005","14.0418","0.0004","90","","101.024","0.003","90","","6516.8","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 Br2 Hg N2 O -","- C15 H12 Br2 Hg N2 O -","- C240 H192 Br32 Hg16 N32 O16 -","16","4","","Smirnov, Andrey S.; Nikolaev, Dmitriy N.; Gurzhiy, Vlad V.; Smirnov, Sergey N.; Suslonov, Vitaliy S.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Conformational stabilization of isatin Schiff bases ‒ biologically active chemical probes","RSC Adv.","2017","7","17","10070","","10.1039/C6RA26779C","","","0.71073","MoKα","","0.1071","0.0676","","","0.1179","0.1325","","","","","","1.127","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7227637","7.2618","0.0003","11.2036","0.001","20.2141","0.0011","93.876","0.006","98.487","0.004","107.037","0.006","1544.48","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Br2 Cd N2 O -","- C15 H12 Br2 Cd N2 O -","- C60 H48 Br8 Cd4 N8 O4 -","4","2","","Smirnov, Andrey S.; Nikolaev, Dmitriy N.; Gurzhiy, Vlad V.; Smirnov, Sergey N.; Suslonov, Vitaliy S.; Garabadzhiu, Alexander V.; Davidovich, Pavel B.","Conformational stabilization of isatin Schiff bases ‒ biologically active chemical probes","RSC Adv.","2017","7","17","10070","","10.1039/C6RA26779C","","x-ray","0.71073","MoKα","","0.0824","0.0685","","","0.1938","0.2022","","","","","","1.04","","","","has coordinates","191854","2020-10-21","18:00:00",""
"7227638","6.7734","0.0009","13.444","0.0018","11.9844","0.0016","90","","103.854","0.002","90","","1059.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Cl8 N2 Nb2 O2 -","- C10 H12 Cl8 N2 Nb2 O2 -","- C20 H24 Cl16 N4 Nb4 O4 -","2","0.5","","Biancalana, Lorenzo; Bortoluzzi, Marco; Ferretti, Eleonora; Hayatifar, Mohammad; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The reactions of α-amino acids and α-amino acid esters with high valent transition metal halides: synthesis of coordination complexes, activation processes and stabilization of α-ammonium acylchloride cations","RSC Adv.","2017","7","17","10158","","10.1039/C7RA00073A","","","0.71073","MoKα","","0.0476","0.0406","","","0.0874","0.0913","","","","","","1.065","","","","has coordinates","191855","2020-10-21","18:00:00",""
"7227639","6.9864","0.0004","12.7821","0.0007","20.9934","0.0011","90","","90","","90","","1874.73","0.18","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 Cl7 N Nb O -","- C11 H15 Cl7 N Nb O -","- C44 H60 Cl28 N4 Nb4 O4 -","4","1","","Biancalana, Lorenzo; Bortoluzzi, Marco; Ferretti, Eleonora; Hayatifar, Mohammad; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The reactions of α-amino acids and α-amino acid esters with high valent transition metal halides: synthesis of coordination complexes, activation processes and stabilization of α-ammonium acylchloride cations","RSC Adv.","2017","7","17","10158","","10.1039/C7RA00073A","","","0.71073","MoKα","","0.0268","0.0249","","","0.057","0.0575","","","","","","1.214","","","","has coordinates","191855","2020-10-21","18:00:00",""
"7227640","8.065","0.003","18.492","0.007","10.184","0.004","90","","94.036","0.005","90","","1515.1","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Cl6 N Nb -","- C6 H16 Cl6 N Nb -","- C24 H64 Cl24 N4 Nb4 -","4","1","","Biancalana, Lorenzo; Bortoluzzi, Marco; Ferretti, Eleonora; Hayatifar, Mohammad; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The reactions of α-amino acids and α-amino acid esters with high valent transition metal halides: synthesis of coordination complexes, activation processes and stabilization of α-ammonium acylchloride cations","RSC Adv.","2017","7","17","10158","","10.1039/C7RA00073A","","","0.71073","MoKα","","0.071","0.0442","","","0.0779","0.087","","","","","","1.073","","","","has coordinates","191855","2020-10-21","18:00:00",""
"7227641","10.045","0.002","6.9628","0.0017","16.994","0.004","90","","106.428","0.003","90","","1140.1","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C7 H16 Cl11 N Nb2 O2 -","- C7 H16 Cl11 N Nb2 O2 -","- C14 H32 Cl22 N2 Nb4 O4 -","2","1","","Biancalana, Lorenzo; Bortoluzzi, Marco; Ferretti, Eleonora; Hayatifar, Mohammad; Marchetti, Fabio; Pampaloni, Guido; Zacchini, Stefano","The reactions of α-amino acids and α-amino acid esters with high valent transition metal halides: synthesis of coordination complexes, activation processes and stabilization of α-ammonium acylchloride cations","RSC Adv.","2017","7","17","10158","","10.1039/C7RA00073A","","","0.71073","MoKα","","0.0239","0.0217","","","0.042","0.0428","","","","","","1.023","","","","has coordinates","191855","2020-10-21","18:00:00",""
"7227642","10.1676","0.0016","17.3","0.003","17.485","0.003","90","","91.708","0.002","90","","3074.2","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H52 Cd2 N8 O16 -","- C62 H52 Cd2 N8 O16 -","- C124 H104 Cd4 N16 O32 -","2","0.5","","Wu, Yu; Wu, Jian; Luo, Zhidong; Wang, Jun; Li, Yulong; Han, Yaoyao; Liu, Jianqiang","Fluorescence detection of Mn2+, Cr2O72− and nitroexplosives and photocatalytic degradation of methyl violet and rhodamine B based on two stable metal‒organic frameworks","RSC Adv.","2017","7","17","10415","","10.1039/C6RA28728J","","","0.71073","MoKα","","0.0465","0.0359","","","0.0951","0.1004","","","","","","1.051","","","","has coordinates","191911","2020-10-21","18:00:00",""
"7227643","9.413","0.002","18.749","0.005","17.387","0.005","90","","91.076","0.004","90","","3068","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H17 N3 O5 Zn -","- C29 H17 N3 O5 Zn -","- C116 H68 N12 O20 Zn4 -","4","1","","Wu, Yu; Wu, Jian; Luo, Zhidong; Wang, Jun; Li, Yulong; Han, Yaoyao; Liu, Jianqiang","Fluorescence detection of Mn2+, Cr2O72− and nitroexplosives and photocatalytic degradation of methyl violet and rhodamine B based on two stable metal‒organic frameworks","RSC Adv.","2017","7","17","10415","","10.1039/C6RA28728J","","","0.71073","MoKα","","0.0996","0.0759","","","0.1901","0.1992","","","","","","1.062","","","","has coordinates","191911","2020-10-21","18:00:00",""
"7227644","9.4482","0.0009","10.0882","0.0009","14.7102","0.0013","72.942","0.003","82.84","0.003","64.91","0.003","1213.95","0.19","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 Cd N2 O6 -","- C26 H22 Cd N2 O6 -","- C52 H44 Cd2 N4 O12 -","2","1","","Ahmed, Faruk; Datta, Joydeep; Dutta, Basudeb; Naskar, Kaushik; Sinha, Chittaranjan; Alam, Seikh Mafiz; Kundu, Suman; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Cation dependent charge transport in linear dicarboxylate based isotypical 1D coordination polymers","RSC Adv.","2017","7","17","10369","","10.1039/C7RA00165G","","","0.71073","MoKα","","0.0651","0.0575","","","0.1419","0.1518","","","","","","1.135","","","","has coordinates","191912","2020-10-21","18:00:00",""
"7227645","9.8479","0.0004","27.7163","0.0013","9.3837","0.0004","90","","114.841","0.001","90","","2324.28","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N2 O6 Zn -","- C26 H22 N2 O6 Zn -","- C104 H88 N8 O24 Zn4 -","4","0.5","","Ahmed, Faruk; Datta, Joydeep; Dutta, Basudeb; Naskar, Kaushik; Sinha, Chittaranjan; Alam, Seikh Mafiz; Kundu, Suman; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Cation dependent charge transport in linear dicarboxylate based isotypical 1D coordination polymers","RSC Adv.","2017","7","17","10369","","10.1039/C7RA00165G","","","0.71073","MoKα","","0.0492","0.0447","","","0.1138","0.118","","","","","","1.069","","","","has coordinates","191912","2020-10-21","18:00:00",""
"7227663","10.827","0.0002","11.86","0.0002","34.3648","0.0007","90","","94.6387","0.0013","90","","4398.27","0.14","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C107 H96 B2 N4 O -","- C107 H96 B2 N4 O -","- C214 H192 B4 N8 O2 -","2","0.5","","You, Dong Kyun; Lee, Seon Hee; Lee, Ji Hye; Kwak, Sang Woo; Hwang, Hyonseok; Lee, Junseong; Chung, Yongseog; Park, Myung Hwan; Lee, Kang Mun","Synthesis and photophysical properties of phenanthroimidazole–triarylborane dyads: intriguing ‘turn-on’ sensing mediated by fluoride anions","RSC Adv.","2017","7","17","10345","","10.1039/C6RA28559G","","","0.71073","MoKα","","0.1708","0.0769","","","0.2207","0.2688","","","","","","1.044","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227664","8.6872","0.0002","13.4379","0.0003","17.4444","0.0004","84.593","0.002","83.569","0.002","84.507","0.002","2007.12","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H39 B N2 -","- C45 H39 B N2 -","- C90 H78 B2 N4 -","2","1","","You, Dong Kyun; Lee, Seon Hee; Lee, Ji Hye; Kwak, Sang Woo; Hwang, Hyonseok; Lee, Junseong; Chung, Yongseog; Park, Myung Hwan; Lee, Kang Mun","Synthesis and photophysical properties of phenanthroimidazole–triarylborane dyads: intriguing ‘turn-on’ sensing mediated by fluoride anions","RSC Adv.","2017","7","17","10345","","10.1039/C6RA28559G","","","0.71073","MoKα","","0.1099","0.0561","","","0.1315","0.1469","","","","","","1.009","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227665","11.731","0.004","10.216","0.004","15.667","0.006","90","","96.915","0.007","90","","1863.9","1.2","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 -","- C22 H26 -","- C88 H104 -","4","1","","Yang, Junwei; Huang, Wei; Lin, Tingting; Pan, Xiaoyong; Zhu, Haoyun; Huang, Yuli; Wang, Weizhi","Intramolecular oxidative cyclodehydrogenation route for the synthesis of strap-like conjugated polymers","RSC Adv.","2017","7","18","10763","","10.1039/C6RA25214A","","","0.71073","MoKα","","0.1394","0.0967","","","0.1832","0.1951","","","","","","1.013","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227666","10.991","0.018","12.54","0.02","13.97","0.04","108.83","0.05","103.58","0.05","104.77","0.03","1653","6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H50 B2 O4 -","- C34 H50 B2 O4 -","- C68 H100 B4 O8 -","2","1","","Yang, Junwei; Huang, Wei; Lin, Tingting; Pan, Xiaoyong; Zhu, Haoyun; Huang, Yuli; Wang, Weizhi","Intramolecular oxidative cyclodehydrogenation route for the synthesis of strap-like conjugated polymers","RSC Adv.","2017","7","18","10763","","10.1039/C6RA25214A","","","0.71073","MoKα","","0.1805","0.1322","","","0.2363","0.2686","","","","","","1.196","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227671","9.1382","0.0013","9.8141","0.0015","24.597","0.004","90","","90","","90","","2205.9","0.6","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N2 O4 S -","- C25 H24 N2 O4 S -","- C100 H96 N8 O16 S4 -","4","1","","Li, Feifei; Cao, Guorui; Gao, Yanfeng; Teng, Dawei","Cu(ii)/DM-Segphos catalyzed asymmetric 1,3-dipolar cycloaddition of benzoisothiazole-2,2-dioxide-3-ylidenes and azomethine ylides","RSC Adv.","2017","7","18","10816","","10.1039/C6RA26543J","","","0.71073","MoKα","","0.0342","0.0339","","","0.0811","0.0813","","","","","","1.072","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227681","8.3433","0.0013","12.2995","0.0018","15.029","0.002","85.243","0.005","84.81","0.005","87.894","0.005","1530","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","Complex1","","- C20 H26 N3 O9 S Zn2 -","- C20 H26 N3 O9 S Zn2 -","- C40 H52 N6 O18 S2 Zn4 -","2","1","","Naskar, Barnali; Modak, Ritwik; Maiti, Dilip K.; Bauzá, Antonio; Frontera, Antonio; Maiti, Pulak Kumar; Mandal, Sukhendu; Goswami, Sanchita","A highly selective “ON‒OFF” probe for colorimetric and fluorometric sensing of Cu2+ in water","RSC Adv.","2017","7","19","11312","","10.1039/C6RA27017D","","","0.71073","MoKα","","0.2431","0.2368","","","0.6462","0.6685","","","","","","0.95","","","","has coordinates","192054","2020-10-21","18:00:00",""
"7227682","13.6312","0.0002","23.5061","0.0004","24.2909","0.0004","90","","90","","90","","7783.2","0.2","200","0.14","200","0.14","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C45 H47 B4 Cl11 F16 I6 N12 -","- C45 H47 B4 Cl11 F16 I6 N12 -","- C180 H188 B16 Cl44 F64 I24 N48 -","4","0.5","","Ruiz-Botella, Sheila; Vidossich, Pietro; Ujaque, Gregori; Peris, Eduardo; Beer, Paul D.","Tripodal halogen bonding iodo-azolium receptors for anion recognition","RSC Adv.","2017","7","19","11253","","10.1039/C6RA28082J","","","0.71073","MoKα","","0.0596","0.0408","","","0.106","0.1209","","","","","","1.086","","","","has coordinates,has disorder","192055","2020-10-21","18:00:00",""
"7227683","8.501","0.0004","8.6149","0.0004","13.9713","0.0006","91.269","0.002","94.756","0.002","114.531","0.002","925.82","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N3 O -","- C24 H21 N3 O -","- C48 H42 N6 O2 -","2","1","","Hasan, Phool; Aneja, Babita; Masood, Mir M.; Ahmad, Md. Belal; Yadava, Umesh; Daniliuc, Constantin G.; Abid, Mohammad","Efficient synthesis of novel N-substituted 2-carboxy-4-quinolones via lithium bis(trimethylsilyl)amide (LiHMDS)-induced in situ cyclocondensation reaction","RSC Adv.","2017","7","19","11367","","10.1039/C6RA28631C","","","0.71073","MoKα","","0.0529","0.0427","","","0.1031","0.1095","","","","","","1.055","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227684","14.5288","0.001","5.2501","0.0004","17.6225","0.0012","90","","113.257","0.004","90","","1234.98","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 Cl N2 O -","- C14 H13 Cl N2 O -","- C56 H52 Cl4 N8 O4 -","4","1","","Hasan, Phool; Aneja, Babita; Masood, Mir M.; Ahmad, Md. Belal; Yadava, Umesh; Daniliuc, Constantin G.; Abid, Mohammad","Efficient synthesis of novel N-substituted 2-carboxy-4-quinolones via lithium bis(trimethylsilyl)amide (LiHMDS)-induced in situ cyclocondensation reaction","RSC Adv.","2017","7","19","11367","","10.1039/C6RA28631C","","","1.54178","CuKα","","0.2002","0.18","","","0.3342","0.3428","","","","","","1.328","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227701","4.3353","0.0009","10.658","0.002","12.488","0.003","106.28","0.03","93.9","0.03","95.4","0.03","548.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H9 Hg N3 O2 -","- C10 H9 Hg N3 O2 -","- C20 H18 Hg2 N6 O4 -","2","1","","Lin, Nai-Chieh; Syu, Herbert J. H.; Naziruddin, Abbas Raja; Liu, Fu-Chen; Lin, Ivan J. B.","Direct C-metallation of N-substituted triazoles promoted by mercury acetate. An alternative route to N-heterocyclic carbene complexes","RSC Adv.","2017","7","19","11652","","10.1039/C7RA00163K","","","0.71073","MoKα","","0.0369","0.0273","","","0.0607","0.0645","","","","","","0.983","","","","has coordinates","192188","2020-10-21","18:00:00",""
"7227702","13.171","0.0018","4.5399","0.0005","14.99","0.002","90","","93.807","0.011","90","","894.3","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cl2 Hg2 N8 -","- C14 H10 Cl2 Hg2 N8 -","- C28 H20 Cl4 Hg4 N16 -","2","0.5","","Lin, Nai-Chieh; Syu, Herbert J. H.; Naziruddin, Abbas Raja; Liu, Fu-Chen; Lin, Ivan J. B.","Direct C-metallation of N-substituted triazoles promoted by mercury acetate. An alternative route to N-heterocyclic carbene complexes","RSC Adv.","2017","7","19","11652","","10.1039/C7RA00163K","","","0.71073","MoKα","","0.0633","0.0571","","","0.1717","0.1738","","","","","","1.369","","","","has coordinates","192188","2020-10-21","18:00:00",""
"7227704","8.5213","0.0003","12.9489","0.0004","13.3149","0.0005","68.372","0.003","82.029","0.004","89.978","0.004","1350.5","0.09","","","","","","","","","","","","5","P 1","P 1","1","","","","- C52 H64 Cu4 N4 O12 -","- C52 H64 Cu4 N4 O12 -","- C52 H64 Cu4 N4 O12 -","1","1","","Kuang, Rui; Zheng, Luyi; Chi, Yanhui; Shi, Jingmin; Chen, Xuexue; Zhang, Chengcheng","Highly efficient electrochemical recognition and quantification of amine enantiomers based on a guest-free homochiral MOF","RSC Adv.","2017","7","19","11701","","10.1039/C7RA00205J","","","","","","0.054","","","","","","","","","","","","","","","has coordinates","192222","2020-10-21","18:00:00",""
"7227705","15.4725","0.0012","8.3765","0.0007","22.2908","0.0019","90","","106.388","0.002","90","","2771.6","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H38 K N O8 -","- C25 H38 K N O8 -","- C100 H152 K4 N4 O32 -","4","1","","Wu, Bing-Bing; Wang, Zhong-Xia","Crown ether complexes of potassium quinolin-8-olates: synthesis, characterization and catalysis toward the ring-opening polymerization of rac-lactide","RSC Adv.","2017","7","19","11657","","10.1039/C7RA01186E","","","0.71073","MoKα","","0.1088","0.049","","","0.0873","0.0961","","","","","","1.078","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227706","8.5895","0.001","12.3063","0.001","9.7721","0.0009","90","","111.94","0.013","90","","958.15","0.18","295.05","0.1","295.05","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","YG-98","","- C21 H17 Br N2 O3 -","- C21 H17 Br N2 O3 -","- C42 H34 Br2 N4 O6 -","2","1","","Guo, Yong; Wang, Xiaoguang; Qu, Lailiang; Xu, Shengnan; Zhao, Yi; Xie, Ruoqian; Huang, Mengxing; Zhang, Yanbing","Design, synthesis, antibacterial and insecticidal activities of novel N-phenylpyrazole fraxinellone hybrid compounds","RSC Adv.","2017","7","19","11796","","10.1039/C6RA28064A","","x-ray","0.71073","MoKα","","0.1506","0.0688","","","0.1383","0.1798","","","","","","1.01","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227707","7.9128","0.0005","13.2459","0.0009","8.7406","0.0006","90","","99.323","0.007","90","","904.02","0.11","289.97","0.1","289.97","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","YG-90","","- C21 H16 F2 N2 O3 -","- C21 H16 F2 N2 O3 -","- C42 H32 F4 N4 O6 -","2","1","","Guo, Yong; Wang, Xiaoguang; Qu, Lailiang; Xu, Shengnan; Zhao, Yi; Xie, Ruoqian; Huang, Mengxing; Zhang, Yanbing","Design, synthesis, antibacterial and insecticidal activities of novel N-phenylpyrazole fraxinellone hybrid compounds","RSC Adv.","2017","7","19","11796","","10.1039/C6RA28064A","","x-ray","0.71073","MoKα","","0.086","0.0548","","","0.1443","0.1765","","","","","","0.959","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227722","30.827","0.008","13.426","0.003","8.792","0.002","90","","94.156","0.004","90","","3629.3","1.5","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C45 H33 N9 -","- C45 H33 N9 -","- C180 H132 N36 -","4","0.5","","Kautny, Paul; Zhao, Chenyang; Kader, Thomas; Stöger, Berthold; Horkel, Ernst; Chen, Jiangshan; Ma, Dongge; Fröhlich, Johannes; Lumpi, Daniel","Functional organic click-materials: application in phosphorescent organic light emitting diodes","RSC Adv.","2017","7","20","12150","","10.1039/C6RA28212A","","x-ray","0.71069","MoKα","","0.0857","0.0527","","","0.0522","0.0556","","","","1.69","1.69","1.55","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227723","8.9444","0.001","13.9122","0.0015","16.3529","0.0018","77.14","0.004","78.37","0.004","74.165","0.004","1886.9","0.4","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C46 H34 N8 -","- C46 H34 N8 -","- C92 H68 N16 -","2","1","","Kautny, Paul; Zhao, Chenyang; Kader, Thomas; Stöger, Berthold; Horkel, Ernst; Chen, Jiangshan; Ma, Dongge; Fröhlich, Johannes; Lumpi, Daniel","Functional organic click-materials: application in phosphorescent organic light emitting diodes","RSC Adv.","2017","7","20","12150","","10.1039/C6RA28212A","","x-ray","0.71073","MoKα","","0.075","0.0472","","","0.0561","0.0581","","","","2.58","2.58","2.17","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227729","9.0054","0.0004","8.7908","0.0004","19.4618","0.0009","90","","102.377","0.003","90","","1504.88","0.12","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","VA6","N-(2-hydroxy-5-chlorophenyl)-2-propylpentanamide","","- C14 H20 Cl N O2 -","- C14 H20 Cl N O2 -","- C56 H80 Cl4 N4 O8 -","4","1","","Alpuche-García, Andrea; Dávila-González, Xochitl; Arregui, Leticia; Beltrán, Hiram I.","Novel valproic aminophenol amides with enhanced glial cell viability effect","RSC Adv.","2017","7","20","12391","","10.1039/C7RA00048K","","","0.71073","MoKα","","0.0763","0.0551","","","0.147","0.1633","","","","","","1.029","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227730","8.9236","0.0005","8.7861","0.0004","19.7125","0.001","90","","102.535","0.003","90","","1508.69","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","VA2","N-(4-methyl-2-hydroxyphenyl)-2-propylpentanamide","","- C15 H23 N O2 -","- C15 H23 N O2 -","- C60 H92 N4 O8 -","4","1","","Alpuche-García, Andrea; Dávila-González, Xochitl; Arregui, Leticia; Beltrán, Hiram I.","Novel valproic aminophenol amides with enhanced glial cell viability effect","RSC Adv.","2017","7","20","12391","","10.1039/C7RA00048K","","","0.71073","MoKα","","0.149","0.0681","","","0.1371","0.169","","","","","","1.032","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227731","8.5924","0.0017","12.938","0.003","14.25","0.003","90","","90","","90","","1584.2","0.6","293","2","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","VA2","N-(5-methyl-2-hydroxyphenyl)-2-propylpentanamide","","- C15 H23 N O2 -","- C15 H23 N O2 -","- C60 H92 N4 O8 -","4","1","","Alpuche-García, Andrea; Dávila-González, Xochitl; Arregui, Leticia; Beltrán, Hiram I.","Novel valproic aminophenol amides with enhanced glial cell viability effect","RSC Adv.","2017","7","20","12391","","10.1039/C7RA00048K","","","0.71073","MoKα","","0.0939","0.0558","","","0.1151","0.1306","","","","","","1.0912","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227765","16.66839","0.00021","3.77859","0.000052","6.289797","0.000081","90","","90.2084","0.00088","90","","396.148","0.009","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- O10 S Sm2 -","- O10 S Sm2 -","- O20 S2 Sm4 -","2","0.25","","Wang, Xuejiao; Li, Ji-Guang; Molokeev, Maxim S.; Wang, Xiaojun; Liu, Weigang; Zhu, Qi; Tanaka, Hidehiko; Suzuta, Keiko; Kim, Byung-Nam; Sakka, Yoshio","Hydrothermal crystallization of a Ln2(OH)4SO4·nH2O layered compound for a wide range of Ln (Ln = La‒Dy), thermolysis, and facile transformation into oxysulfate and oxysulfide phosphors","RSC Adv.","2017","7","22","13331","","10.1039/C7RA00645D","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.54","1.992","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7227766","16.64411","0.00029","3.752217","0.000092","6.27044","0.0001","90","","90.1141","0.0013","90","","391.603","0.013","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Eu2 O10 S -","- Eu2 O10 S -","- Eu4 O20 S2 -","2","0.25","","Wang, Xuejiao; Li, Ji-Guang; Molokeev, Maxim S.; Wang, Xiaojun; Liu, Weigang; Zhu, Qi; Tanaka, Hidehiko; Suzuta, Keiko; Kim, Byung-Nam; Sakka, Yoshio","Hydrothermal crystallization of a Ln2(OH)4SO4·nH2O layered compound for a wide range of Ln (Ln = La‒Dy), thermolysis, and facile transformation into oxysulfate and oxysulfide phosphors","RSC Adv.","2017","7","22","13331","","10.1039/C7RA00645D","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.77","2.497","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7227767","16.58166","0.00038","3.682131","0.000063","6.21443","0.0001","90","","90.0337","0.0037","90","","379.427","0.012","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Dy2 O10 S -","- Dy2 O10 S -","- Dy4 O20 S2 -","2","0.25","","Wang, Xuejiao; Li, Ji-Guang; Molokeev, Maxim S.; Wang, Xiaojun; Liu, Weigang; Zhu, Qi; Tanaka, Hidehiko; Suzuta, Keiko; Kim, Byung-Nam; Sakka, Yoshio","Hydrothermal crystallization of a Ln2(OH)4SO4·nH2O layered compound for a wide range of Ln (Ln = La‒Dy), thermolysis, and facile transformation into oxysulfate and oxysulfide phosphors","RSC Adv.","2017","7","22","13331","","10.1039/C7RA00645D","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","3.19","1.566","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7227768","16.63622","0.00077","3.73123","0.00014","6.25297","0.00029","90","","90.0636","0.0077","90","","388.14","0.03","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Gd2 O10 S -","- Gd2 O10 S -","- Gd4 O20 S2 -","2","0.25","","Wang, Xuejiao; Li, Ji-Guang; Molokeev, Maxim S.; Wang, Xiaojun; Liu, Weigang; Zhu, Qi; Tanaka, Hidehiko; Suzuta, Keiko; Kim, Byung-Nam; Sakka, Yoshio","Hydrothermal crystallization of a Ln2(OH)4SO4·nH2O layered compound for a wide range of Ln (Ln = La‒Dy), thermolysis, and facile transformation into oxysulfate and oxysulfide phosphors","RSC Adv.","2017","7","22","13331","","10.1039/C7RA00645D","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.04","1.267","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7227769","16.59872","0.00055","3.70483","0.00011","6.23157","0.00019","90","","90.0909","0.0046","90","","383.21","0.02","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- O10 S Tb2 -","- O10 S Tb2 -","- O20 S2 Tb4 -","2","0.25","","Wang, Xuejiao; Li, Ji-Guang; Molokeev, Maxim S.; Wang, Xiaojun; Liu, Weigang; Zhu, Qi; Tanaka, Hidehiko; Suzuta, Keiko; Kim, Byung-Nam; Sakka, Yoshio","Hydrothermal crystallization of a Ln2(OH)4SO4·nH2O layered compound for a wide range of Ln (Ln = La‒Dy), thermolysis, and facile transformation into oxysulfate and oxysulfide phosphors","RSC Adv.","2017","7","22","13331","","10.1039/C7RA00645D","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","0.9","1.455","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7227770","16.8","0.002","3.89198","0.0004","6.39427","0.00075","90","","90.4448","0.005","90","","418.08","0.08","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ce2 O10 S -","- Ce2 O10 S -","- Ce4 O20 S2 -","2","0.25","","Wang, Xuejiao; Li, Ji-Guang; Molokeev, Maxim S.; Wang, Xiaojun; Liu, Weigang; Zhu, Qi; Tanaka, Hidehiko; Suzuta, Keiko; Kim, Byung-Nam; Sakka, Yoshio","Hydrothermal crystallization of a Ln2(OH)4SO4·nH2O layered compound for a wide range of Ln (Ln = La‒Dy), thermolysis, and facile transformation into oxysulfate and oxysulfide phosphors","RSC Adv.","2017","7","22","13331","","10.1039/C7RA00645D","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.55","1.395","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7227771","16.7586","0.0022","3.85723","0.00051","6.35696","0.00085","90","","90.3911","0.0032","90","","410.92","0.09","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- O10 Pr2 S -","- O10 Pr2 S -","- O20 Pr4 S2 -","2","0.25","","Wang, Xuejiao; Li, Ji-Guang; Molokeev, Maxim S.; Wang, Xiaojun; Liu, Weigang; Zhu, Qi; Tanaka, Hidehiko; Suzuta, Keiko; Kim, Byung-Nam; Sakka, Yoshio","Hydrothermal crystallization of a Ln2(OH)4SO4·nH2O layered compound for a wide range of Ln (Ln = La‒Dy), thermolysis, and facile transformation into oxysulfate and oxysulfide phosphors","RSC Adv.","2017","7","22","13331","","10.1039/C7RA00645D","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","4","3.576","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7227772","16.74223","0.00059","3.83065","0.00014","6.33686","0.00026","90","","90.2964","0.0022","90","","406.4","0.03","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Nd2 O10 S -","- Nd2 O10 S -","- Nd4 O20 S2 -","2","0.25","","Wang, Xuejiao; Li, Ji-Guang; Molokeev, Maxim S.; Wang, Xiaojun; Liu, Weigang; Zhu, Qi; Tanaka, Hidehiko; Suzuta, Keiko; Kim, Byung-Nam; Sakka, Yoshio","Hydrothermal crystallization of a Ln2(OH)4SO4·nH2O layered compound for a wide range of Ln (Ln = La‒Dy), thermolysis, and facile transformation into oxysulfate and oxysulfide phosphors","RSC Adv.","2017","7","22","13331","","10.1039/C7RA00645D","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.7","3.52","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7227773","16.8847","0.00061","3.94202","0.00012","6.43589","0.00021","90","","90.4539","0.0021","90","","428.36","0.02","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- La2 O10 S -","- La2 O10 S -","- La4 O20 S2 -","2","0.25","","Wang, Xuejiao; Li, Ji-Guang; Molokeev, Maxim S.; Wang, Xiaojun; Liu, Weigang; Zhu, Qi; Tanaka, Hidehiko; Suzuta, Keiko; Kim, Byung-Nam; Sakka, Yoshio","Hydrothermal crystallization of a Ln2(OH)4SO4·nH2O layered compound for a wide range of Ln (Ln = La‒Dy), thermolysis, and facile transformation into oxysulfate and oxysulfide phosphors","RSC Adv.","2017","7","22","13331","","10.1039/C7RA00645D","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","1.47","1.578","","","","","","","has coordinates","205493","2020-10-21","18:00:00",""
"7227774","7.521","0.004","19.628","0.009","11.313","0.005","90","","90","","90","","1670","1.4","296.15","","296.15","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H17 N -","- C23 H17 N -","- C92 H68 N4 -","4","1","","Mao, Zhong-Yuan; Liao, Xiao-Yun; Wang, Heng-Shan; Wang, Chun-Gu; Huang, Ke-Bin; Pan, Ying-Ming","Acid-catalyzed tandem reaction for the synthesis of pyridine derivatives via CC/C(sp3)–N bond cleavage of enones and primary amines","RSC Adv.","2017","7","22","13123","","10.1039/C7RA00780A","","","0.71073","MoKα","","0.0477","0.0404","","","0.1058","0.1128","","","","","","1.056","","","","has coordinates","301865","2025-08-22","16:17:12",""
"7227775","12.115","0.012","12.115","0.012","12.641","0.012","90","","90","","90","","1855","3","296","2","296.15","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C23 H15 Cl F N -","- C23 H15 Cl F N -","- C92 H60 Cl4 F4 N4 -","4","0.5","","Mao, Zhong-Yuan; Liao, Xiao-Yun; Wang, Heng-Shan; Wang, Chun-Gu; Huang, Ke-Bin; Pan, Ying-Ming","Acid-catalyzed tandem reaction for the synthesis of pyridine derivatives via CC/C(sp3)–N bond cleavage of enones and primary amines","RSC Adv.","2017","7","22","13123","","10.1039/C7RA00780A","","","0.71073","MoKα","","0.0398","0.0343","","","0.0856","0.0902","","","","","","1.08","","","","has coordinates,has disorder","301865","2025-08-22","16:17:12",""
"7227810","24.165","0.007","8.609","0.003","18.26","0.005","90","","92.647","0.007","90","","3795","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H68 Au Cl N2 O -","- C35 H68 Au Cl N2 O -","- C140 H272 Au4 Cl4 N8 O4 -","4","1","","Syu, Herbert J. H.; Chiou, Josh Y. Z.; Wang, Ju-Chun; Lin, Ivan J. B.","Photoluminescence of self-assembled Ag(i) and Au(i) N-heterocyclic carbene complexes. Interplay the aurophilic, hydrogen bonding and hydrophobic interactions","RSC Adv.","2017","7","24","14611","","10.1039/C6RA28294F","","","0.71073","MoKα","","0.0998","0.0431","","","0.0962","0.123","","","","","","1.055","","","","has coordinates","194034","2020-10-21","18:00:00",""
"7227811","10.71","0.006","12.206","0.007","32.32","0.019","90.21","0.011","92.509","0.012","113.758","0.01","3862","4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H136 Ag2 Cl2 N4 O2 -","- C70 H136 Ag2 Cl2 N4 O2 -","- C140 H272 Ag4 Cl4 N8 O4 -","2","1","","Syu, Herbert J. H.; Chiou, Josh Y. Z.; Wang, Ju-Chun; Lin, Ivan J. B.","Photoluminescence of self-assembled Ag(i) and Au(i) N-heterocyclic carbene complexes. Interplay the aurophilic, hydrogen bonding and hydrophobic interactions","RSC Adv.","2017","7","24","14611","","10.1039/C6RA28294F","","","0.71073","MoKα","","0.3441","0.0894","","","0.2044","0.3622","","","","","","0.918","","","","has coordinates","194034","2020-10-21","18:00:00",""
"7227832","10.5987","0.0003","12.0841","0.0003","18.4864","0.0005","98.172","0.002","99.125","0.002","99.657","0.002","2269.67","0.11","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","(Dipp-BIANMe)FeCl2","","","- C57 H50 Cl2 Fe N2 -","- C57 H50 Cl2 Fe N2 -","- C114 H100 Cl4 Fe2 N4 -","2","1","","Yu, Xun; Zhu, Feifeng; Bu, Donglei; Lei, Hao","Ferrous complexes supported by sterically encumbered asymmetric bis(arylimino)acenaphthene (BIAN) ligands: synthesis, characterization and screening for catalytic hydrosilylation of carbonyl compounds","RSC Adv.","2017","7","25","15321","","10.1039/C7RA01511A","","x-ray","1.54184","CuKα","","0.0437","0.0394","","","0.1001","0.1041","","","","","","1.023","","","","has coordinates","194154","2020-10-21","18:00:00",""
"7227833","10.383","0.00014","21.4869","0.0004","25.4145","0.0003","90","","90","","90","","5669.94","0.15","93","","93","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","(Dipp-BIANF)FeCl2","","","- C68 H71 Cl2 F Fe N2 O3 -","- C68 H71 Cl2 F Fe N2 O3 -","- C272 H284 Cl8 F4 Fe4 N8 O12 -","4","1","","Yu, Xun; Zhu, Feifeng; Bu, Donglei; Lei, Hao","Ferrous complexes supported by sterically encumbered asymmetric bis(arylimino)acenaphthene (BIAN) ligands: synthesis, characterization and screening for catalytic hydrosilylation of carbonyl compounds","RSC Adv.","2017","7","25","15321","","10.1039/C7RA01511A","","x-ray","1.54184","CuKα","","0.0378","0.0361","","","0.0959","0.0972","","","","","","1.026","","","","has coordinates,has disorder","194154","2020-10-21","18:00:00",""
"7227834","19.01587","0.00018","14.80189","0.00015","16.80964","0.00017","90","","103.52","0.001","90","","4600.3","0.08","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Mes-BIANCl)FeCl2","","","- C57 H49 Cl3 Fe N2 O -","- C57 H49 Cl3 Fe N2 O -","- C228 H196 Cl12 Fe4 N8 O4 -","4","1","","Yu, Xun; Zhu, Feifeng; Bu, Donglei; Lei, Hao","Ferrous complexes supported by sterically encumbered asymmetric bis(arylimino)acenaphthene (BIAN) ligands: synthesis, characterization and screening for catalytic hydrosilylation of carbonyl compounds","RSC Adv.","2017","7","25","15321","","10.1039/C7RA01511A","","x-ray","1.54184","CuKα","","0.0804","0.0771","","","0.1957","0.2012","","","","","","1.084","","","","has coordinates","194154","2020-10-21","18:00:00",""
"7227835","13.87969","0.00013","16.89054","0.00015","18.35276","0.00016","90","","103.305","0.0009","90","","4187.06","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Mes-BIANF)FeCl2","","","- C53 H41 Cl2 F Fe N2 -","- C53 H41 Cl2 F Fe N2 -","- C212 H164 Cl8 F4 Fe4 N8 -","4","1","","Yu, Xun; Zhu, Feifeng; Bu, Donglei; Lei, Hao","Ferrous complexes supported by sterically encumbered asymmetric bis(arylimino)acenaphthene (BIAN) ligands: synthesis, characterization and screening for catalytic hydrosilylation of carbonyl compounds","RSC Adv.","2017","7","25","15321","","10.1039/C7RA01511A","","x-ray","1.54184","CuKα","","0.0423","0.0396","","","0.1048","0.1071","","","","","","1.03","","","","has coordinates","194154","2020-10-21","18:00:00",""
"7227836","19.7651","0.0004","14.8041","0.0003","34.06","0.0007","90","","102.115","0.002","90","","9744.1","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Mes-BIANMe)FeCl2","","","- C112 H96 Cl4 Fe2 N4 O -","- C112 H96 Cl4 Fe2 N4 O -","- C448 H384 Cl16 Fe8 N16 O4 -","4","1","","Yu, Xun; Zhu, Feifeng; Bu, Donglei; Lei, Hao","Ferrous complexes supported by sterically encumbered asymmetric bis(arylimino)acenaphthene (BIAN) ligands: synthesis, characterization and screening for catalytic hydrosilylation of carbonyl compounds","RSC Adv.","2017","7","25","15321","","10.1039/C7RA01511A","","x-ray","0.71073","MoKα","","0.1033","0.0646","","","0.1594","0.1803","","","","","","1.033","","","","has coordinates,has disorder","194154","2020-10-21","18:00:00",""
"7227837","10.51517","0.00014","18.6075","0.0003","26.0044","0.0003","90","","96.4438","0.0011","90","","5055.9","0.12","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(Dipp-BIANCl)FeCl2","","","- C60 H55 Cl3 Fe N2 O -","- C60 H55 Cl3 Fe N2 O -","- C240 H220 Cl12 Fe4 N8 O4 -","4","1","","Yu, Xun; Zhu, Feifeng; Bu, Donglei; Lei, Hao","Ferrous complexes supported by sterically encumbered asymmetric bis(arylimino)acenaphthene (BIAN) ligands: synthesis, characterization and screening for catalytic hydrosilylation of carbonyl compounds","RSC Adv.","2017","7","25","15321","","10.1039/C7RA01511A","","x-ray","1.54184","CuKα","","0.0519","0.0439","","","0.1232","0.1284","","","","","","1.124","","","","has coordinates","194154","2020-10-21","18:00:00",""
"7227842","8.4983","0.0005","8.3756","0.0005","10.7054","0.0007","90","","106.311","0.006","90","","731.32","0.08","295.35","0.1","295.35","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H24 Cl N2 O -","- C16 H24 Cl N2 O -","- C32 H48 Cl2 N4 O2 -","2","1","","Huang, Jiu-Lin; Lv, Min; Xu, Hui","Semisynthesis of some matrine ether derivatives as insecticidal agents","RSC Adv.","2017","7","26","15997","","10.1039/C7RA00954B","","x-ray","0.71073","MoKα","","0.0617","0.0492","","","0.1163","0.1326","","","","","","1.033","","","","has coordinates","194224","2020-10-21","18:00:00",""
"7227843","8.8606","0.0007","9.866","0.0006","12.1556","0.0016","90","","108.727","0.011","90","","1006.37","0.18","293","2","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N3 O4 -","- C22 H27 N3 O4 -","- C44 H54 N6 O8 -","2","1","","Huang, Jiu-Lin; Lv, Min; Xu, Hui","Semisynthesis of some matrine ether derivatives as insecticidal agents","RSC Adv.","2017","7","26","15997","","10.1039/C7RA00954B","","x-ray","0.71073","MoKα","","0.1178","0.0596","","","0.0975","0.1256","","","","","","1.077","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227844","10.5122","0.0005","9.5461","0.0004","13.519","0.0006","90","","99.723","0.004","90","","1337.15","0.1","293","2","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H38 N2 O3 -","- C30 H38 N2 O3 -","- C60 H76 N4 O6 -","2","1","","Huang, Jiu-Lin; Lv, Min; Xu, Hui","Semisynthesis of some matrine ether derivatives as insecticidal agents","RSC Adv.","2017","7","26","15997","","10.1039/C7RA00954B","","x-ray","0.71073","MoKα","","0.0911","0.0608","","","0.1236","0.1447","","","","","","1.041","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227845","6.1435","0.0005","17.5376","0.0012","18.541","0.0014","90","","90","","90","","1997.6","0.3","294.05","0.1","294.05","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 Cl N2 O2 -","- C22 H27 Cl N2 O2 -","- C88 H108 Cl4 N8 O8 -","4","1","","Huang, Jiu-Lin; Lv, Min; Xu, Hui","Semisynthesis of some matrine ether derivatives as insecticidal agents","RSC Adv.","2017","7","26","15997","","10.1039/C7RA00954B","","x-ray","0.71073","MoKα","","0.157","0.0677","","","0.1113","0.1654","","","","","","1.052","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227848","11.1395","0.0019","21.597","0.004","24.323","0.004","92.569","0.003","98.988","0.003","90.655","0.003","5773","1.7","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H144 Br2 N2 O28 Si16 -","- C86 H144 Br2 N2 O28 Si16 -","- C172 H288 Br4 N4 O56 Si32 -","2","1","","Shao, Yu; Zhang, Xinlin; Liang, Kai; Wang, Jing; Lin, Yuejian; Yang, Shuguang; Zhang, Wen-Bin; Zhu, Meifang; Sun, Bin","How does the interplay between bromine substitution at bay area and bulky substituents at imide position influence the photophysical properties of perylene diimides?","RSC Adv.","2017","7","26","16155","","10.1039/C7RA00779E","","","0.71073","MoKα","","0.1705","0.0902","","","0.2464","0.2991","","","","","","0.946","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227849","13.794","0.002","12.924","0.002","14.1348","0.0015","90","","114.513","0.007","90","","2292.7","0.6","95","0.5","95","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 Cl2 N2 O9 Ru S2 -","- C16 H22 Cl2 N2 O9 Ru S2 -","- C64 H88 Cl8 N8 O36 Ru4 S8 -","4","1","","Kamatchi, Thangavel Sathiya; Chitrapriya, Nataraj; Ashok Kumar, Sarvana Loganthan; Jung, Jang Yoon; Puschmann, Horst; Fronczek, Frank R.; Natarajan, Karuppannan","The effect of incorporating carboxylic acid functionalities into 2,2′-bipyridine on the biological activity of the complexes formed: synthesis, structure, DNA/protein interaction, antioxidant activity and cytotoxicity","RSC Adv.","2017","7","27","16428","","10.1039/C7RA00425G","","","0.71073","MoKα","","0.0633","0.0479","","","0.1064","0.1151","","","","","","1.013","","","","has coordinates","194249","2020-10-21","18:00:00",""
"7227850","27.7264","0.0007","7.7631","0.0003","16.5025","0.0007","90","","90","","90","","3552","0.2","120","","393.15","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C14 H20 Cl2 N2 O2 Ru S2 -","- C14 H20 Cl2 N2 O2 Ru S2 -","- C112 H160 Cl16 N16 O16 Ru8 S16 -","8","2","","Kamatchi, Thangavel Sathiya; Chitrapriya, Nataraj; Ashok Kumar, Sarvana Loganthan; Jung, Jang Yoon; Puschmann, Horst; Fronczek, Frank R.; Natarajan, Karuppannan","The effect of incorporating carboxylic acid functionalities into 2,2′-bipyridine on the biological activity of the complexes formed: synthesis, structure, DNA/protein interaction, antioxidant activity and cytotoxicity","RSC Adv.","2017","7","27","16428","","10.1039/C7RA00425G","","","0.7107","MoKα","","0.0324","0.0314","","","0.0736","0.0743","","","","","","1.135","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7227861","21.9362","0.0009","4.53698","0.00016","23.8161","0.0011","90","","112.119","0.005","90","","2195.83","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H10 N2 O2 Se -","- C10 H8.5 N2 O2 Se -","- C80 H68 N16 O16 Se8 -","8","2","","Deng, Shulin; Zeng, Delong; Luo, Yi; Zhao, Jianfu; Li, Xiaoling; Zhao, Zhennan; Chen, Tianfeng","Enhancement of cell uptake and antitumor activity of selenadiazole derivatives through interaction and delivery by serum albumin","RSC Adv.","2017","7","27","16721","","10.1039/C6RA28801D","","","1.54184","CuKα","","0.0667","0.0551","","","0.1435","0.1594","","","","","","1.094","","","","has coordinates","203412","2020-10-21","18:00:00",""
"7227862","16.35","0.0007","4.6387","0.0002","14.6202","0.0006","90","","102.521","0.004","90","","1082.46","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N2 O2 Se -","- C10 H10 N2 O2 Se -","- C40 H40 N8 O8 Se4 -","4","1","","Deng, Shulin; Zeng, Delong; Luo, Yi; Zhao, Jianfu; Li, Xiaoling; Zhao, Zhennan; Chen, Tianfeng","Enhancement of cell uptake and antitumor activity of selenadiazole derivatives through interaction and delivery by serum albumin","RSC Adv.","2017","7","27","16721","","10.1039/C6RA28801D","","","1.54178","CuKα","","0.0303","0.0269","","","0.0708","0.0739","","","","","","1.061","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227863","23.715","0.003","4.6936","0.0003","24.377","0.003","90","","117.245","0.014","90","","2412.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 N2 O2 Se -","- C11 H12 N2 O2 Se -","- C88 H96 N16 O16 Se8 -","8","2","","Deng, Shulin; Zeng, Delong; Luo, Yi; Zhao, Jianfu; Li, Xiaoling; Zhao, Zhennan; Chen, Tianfeng","Enhancement of cell uptake and antitumor activity of selenadiazole derivatives through interaction and delivery by serum albumin","RSC Adv.","2017","7","27","16721","","10.1039/C6RA28801D","","","1.54178","CuKα","","0.0657","0.0542","","","0.1349","0.1414","","","","","","1.155","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227868","15.3201","0.0015","15.8949","0.0015","16.0521","0.0015","72.814","0.001","83.465","0.002","87.082","0.002","3709.5","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C81 H97 Cl3 O4 -","- C81 H97 Cl3 O4 -","- C162 H194 Cl6 O8 -","2","1","","Desroches, Maude; Morin, Jean-François","Synthesis and properties of a trapezoid shaped macrocycle with different [n]yne units","RSC Adv.","2017","7","28","17117","","10.1039/C7RA01721A","","","0.71073","MoKα","","0.1106","0.061","","","0.1526","0.1763","","","","","","1.021","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227869","11.31171","0.00018","13.8659","0.0003","18.2058","0.0003","90","","99.5069","0.0017","90","","2816.31","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 Cu N5 O5 -","- C32 H25 Cu N5 O5 -","- C128 H100 Cu4 N20 O20 -","4","1","","Jadeja, R. N.; Vyas, K. M.; Upadhyay, K. K.; Devkar, R. V.","In vitro apoptosis-inducing effect and gene expression profiles of mixed ligand Cu(ii) complexes derived from 4-acyl pyrazolones on human lung cancer cells","RSC Adv.","2017","7","28","17107","","10.1039/C7RA01025G","","","1.54184","CuKα","","0.0504","0.0443","","","0.174","0.1918","","","","","","0.832","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227870","8.8175","0.0003","12.8309","0.0004","19.0229","0.0008","90","","102.082","0.004","90","","2104.51","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 Cu N3 O5 -","- C25 H17 Cu N3 O5 -","- C100 H68 Cu4 N12 O20 -","4","1","","Jadeja, R. N.; Vyas, K. M.; Upadhyay, K. K.; Devkar, R. V.","In vitro apoptosis-inducing effect and gene expression profiles of mixed ligand Cu(ii) complexes derived from 4-acyl pyrazolones on human lung cancer cells","RSC Adv.","2017","7","28","17107","","10.1039/C7RA01025G","","","1.54184","CuKα","","0.0687","0.0575","","","0.169","0.182","","","","","","1.063","","","","has coordinates","194349","2020-10-21","18:00:00",""
"7227871","11.9167","0.0002","13.741","0.0002","18.0275","0.0004","90","","100.693","0.0018","90","","2900.69","0.09","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Cu N5 O5 -","- C34 H26 Cu N5 O5 -","- C136 H104 Cu4 N20 O20 -","4","1","","Jadeja, R. N.; Vyas, K. M.; Upadhyay, K. K.; Devkar, R. V.","In vitro apoptosis-inducing effect and gene expression profiles of mixed ligand Cu(ii) complexes derived from 4-acyl pyrazolones on human lung cancer cells","RSC Adv.","2017","7","28","17107","","10.1039/C7RA01025G","","","1.54184","CuKα","","0.0553","0.0488","","","0.1368","0.1427","","","","","","1.041","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227872","11.9989","0.0003","14.4984","0.0003","14.8134","0.0004","64.239","0.002","84.8034","0.0019","74.8834","0.0019","2239.82","0.1","173","0.1","173","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H16 O4 P Re -","- C26 H16 O4 P Re -","- C104 H64 O16 P4 Re4 -","4","2","","Sun, Ruichen; Wang, Tian; Zhang, Shaowei; Chu, Xiaodan; Zhu, Bolin","Synthesis, structures and catalytic activity of cyclometalated rhenium complexes","RSC Adv.","2017","7","28","17063","","10.1039/C6RA28263F","","x-ray","1.54184","CuKα","","0.0313","0.0294","","","0.0764","0.078","","","","","","1.061","","","","has coordinates","194350","2020-10-21","18:00:00",""
"7227873","24.564","0.003","42.547","0.005","7.7934","0.0008","90","","90","","90","","8145.1","1.6","296","2","296","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C20 H21 O5 P Re -","- C20 H21 O5 P Re -","- C320 H336 O80 P16 Re16 -","16","1","","Sun, Ruichen; Wang, Tian; Zhang, Shaowei; Chu, Xiaodan; Zhu, Bolin","Synthesis, structures and catalytic activity of cyclometalated rhenium complexes","RSC Adv.","2017","7","28","17063","","10.1039/C6RA28263F","","","0.71073","MoKα","","0.0295","0.0245","","","0.0435","0.0453","","","","","","1.001","","","","has coordinates,has disorder","194350","2020-10-21","18:00:00",""
"7227874","9.939","0.0005","11.0789","0.0005","11.2433","0.0006","94.119","0.004","97.332","0.004","99.066","0.004","1207.22","0.11","173","0.1","173","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H17 Br O4 P Re -","- C26 H17 Br O4 P Re -","- C52 H34 Br2 O8 P2 Re2 -","2","1","","Sun, Ruichen; Wang, Tian; Zhang, Shaowei; Chu, Xiaodan; Zhu, Bolin","Synthesis, structures and catalytic activity of cyclometalated rhenium complexes","RSC Adv.","2017","7","28","17063","","10.1039/C6RA28263F","","x-ray","0.71073","MoKα","","0.0394","0.0329","","","0.0571","0.0608","","","","","","0.958","","","","has coordinates,has disorder","194350","2020-10-21","18:00:00",""
"7227875","24.3119","0.0009","11.3315","0.0003","19.6695","0.0006","90","","98.995","0.003","90","","5352.1","0.3","154.5","0.9","154.5","0.9","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H17 F3 O6 P Re -","- C28 H17 F3 O6 P Re -","- C224 H136 F24 O48 P8 Re8 -","8","2","","Sun, Ruichen; Wang, Tian; Zhang, Shaowei; Chu, Xiaodan; Zhu, Bolin","Synthesis, structures and catalytic activity of cyclometalated rhenium complexes","RSC Adv.","2017","7","28","17063","","10.1039/C6RA28263F","","x-ray","0.71073","MoKα","","0.0563","0.0487","","","0.1086","0.1129","","","","","","1.087","","","","has coordinates","194350","2020-10-21","18:00:00",""
"7227882","6.5438","0.0004","13.1859","0.0007","12.5014","0.0007","90","","93.862","0.002","90","","1076.24","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","HAMH205","","","- C11 H5 F3 N2 O3 S -","- C11 H5 F3 N2 O3 S -","- C44 H20 F12 N8 O12 S4 -","4","1","","Abdel-Mohsen, H. T.; Conrad, J.; Harms, K.; Nohr, D.; Beifuss, U.","Laccase-catalyzed green synthesis and cytotoxic activity of novel pyrimidobenzothiazoles and catechol thioethers","RSC Adv.","2017","7","28","17427","","10.1039/C6RA28102H","","","0.71073","MoKα","","0.0327","0.028","","","0.0672","0.0691","","","","","","1.048","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227883","8.6208","0.0004","11.629","0.0004","15.4798","0.0006","90","","105.09","0.001","90","","1498.36","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","HAMH285","","","- C15 H18 N2 O3 S -","- C15 H18 N2 O3 S -","- C60 H72 N8 O12 S4 -","4","1","","Abdel-Mohsen, H. T.; Conrad, J.; Harms, K.; Nohr, D.; Beifuss, U.","Laccase-catalyzed green synthesis and cytotoxic activity of novel pyrimidobenzothiazoles and catechol thioethers","RSC Adv.","2017","7","28","17427","","10.1039/C6RA28102H","","","0.71073","MoKα","","0.0353","0.0315","","","0.0788","0.0814","","","","","","1.048","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227884","9.5121","0.0003","17.4396","0.0006","18.5025","0.0007","111.433","0.002","103.318","0.002","102.732","0.001","2618.36","0.17","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H62 Cl3 N6 O4.5 -","- C60 H62 Cl3 N6 O4.5 -","- C120 H124 Cl6 N12 O9 -","2","1","","Sathiyashivan, Shankar Deval; Kumar, Chakka Kiran; Shankar, Bhaskaran; Sathiyendiran, Malaichamy; Masram, Dhanraj T.","Perfect symmetrical cyclic aromatic trimer motif in tripodal molecule","RSC Adv.","2017","7","28","17297","","10.1039/C7RA01682D","","","0.71073","MoKα","","0.1056","0.0689","","","0.1528","0.1719","","","","","","1.02","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227885","18.62","0.003","18.62","0.003","18.075","0.003","90","","90","","120","","5427.1","1.5","296","2","296","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C121 H132 Cl6 N12 O15 -","- C121 H132 Cl6 N12 O15 -","- C242 H264 Cl12 N24 O30 -","2","0.166667","","Sathiyashivan, Shankar Deval; Kumar, Chakka Kiran; Shankar, Bhaskaran; Sathiyendiran, Malaichamy; Masram, Dhanraj T.","Perfect symmetrical cyclic aromatic trimer motif in tripodal molecule","RSC Adv.","2017","7","28","17297","","10.1039/C7RA01682D","","","0.71073","MoKα","","0.1227","0.0803","","","0.2021","0.2281","","","","","","1.082","","","","has coordinates","194383","2020-10-21","18:00:00",""
"7227886","9.401","0.005","10.66","0.005","11.058","0.005","107.936","0.005","98.134","0.003","110.383","0.003","949.1","0.8","223","","223","","","","","","","","","5","P -1","-P 1","2","","tert-Butyl 2-(2,1,3-benzothiadiazol-4-yl)-3-ethyl-1H-indole-1-carboxylate","","- C21 H21 N3 O2 S -","- C21 H21 N3 O2 S -","- C42 H42 N6 O4 S2 -","2","1","","Ito, Suguru; Taguchi, Tomohiro; Yamada, Takeshi; Ubukata, Takashi; Yamaguchi, Yoshitaka; Asami, Masatoshi","Indolylbenzothiadiazoles with varying substituents on the indole ring: a systematic study on the self-recovering mechanochromic luminescence","RSC Adv.","2017","7","28","16953","","10.1039/C7RA01006K","","","0.71075","MoKα","","0.051","0.0463","","","0.1274","0.132","","","","","","1.05","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227887","8.367","0.003","8.84","0.003","10.153","0.003","80.099","0.013","67.01","0.011","82.285","0.014","679.2","0.4","223","","223","","","","","","","","","4","P -1","-P 1","2","","4-(1,3-Dimethyl-1H-indol-2-yl)-2,1,3-benzothiadiazole","","- C16 H13 N3 S -","- C16 H13 N3 S -","- C32 H26 N6 S2 -","2","1","","Ito, Suguru; Taguchi, Tomohiro; Yamada, Takeshi; Ubukata, Takashi; Yamaguchi, Yoshitaka; Asami, Masatoshi","Indolylbenzothiadiazoles with varying substituents on the indole ring: a systematic study on the self-recovering mechanochromic luminescence","RSC Adv.","2017","7","28","16953","","10.1039/C7RA01006K","","","0.71075","MoKα","","0.0646","0.061","","","0.175","0.1786","","","","","","1.076","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227888","11.305","0.008","11.319","0.008","11.788","0.008","109.674","0.006","98.76","0.004","115.528","0.004","1200.6","1.5","223","","223","","","","","","","","","6","P -1","-P 1","2","","4-(3-Methyl-1-tosyl-1H-indol-2-yl)-2,1,3-benzothiaziazole","","- C23 H18 Cl3 N3 O2 S2 -","- C23 H18 Cl3 N3 O2 S2 -","- C46 H36 Cl6 N6 O4 S4 -","2","1","","Ito, Suguru; Taguchi, Tomohiro; Yamada, Takeshi; Ubukata, Takashi; Yamaguchi, Yoshitaka; Asami, Masatoshi","Indolylbenzothiadiazoles with varying substituents on the indole ring: a systematic study on the self-recovering mechanochromic luminescence","RSC Adv.","2017","7","28","16953","","10.1039/C7RA01006K","","","0.71075","MoKα","","0.0747","0.0658","","","0.181","0.1911","","","","","","1.053","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227889","9.3836","","9.5084","0.0005","12.6685","0.0003","84.707","0.012","69.198","0.007","77.736","0.012","1032.35","0.09","223","","223","","","","","","","","","5","P -1","-P 1","2","","tert-Butyl 2-(2,1,3-benzothiadiazol-4-yl)-3-isopropyl-1H-indole-1-carboxylate","","- C22 H23 N3 O2 S -","- C22 H23 N3 O2 S -","- C44 H46 N6 O4 S2 -","2","1","","Ito, Suguru; Taguchi, Tomohiro; Yamada, Takeshi; Ubukata, Takashi; Yamaguchi, Yoshitaka; Asami, Masatoshi","Indolylbenzothiadiazoles with varying substituents on the indole ring: a systematic study on the self-recovering mechanochromic luminescence","RSC Adv.","2017","7","28","16953","","10.1039/C7RA01006K","","","0.71075","MoKα","","0.0509","0.0455","","","0.1187","0.1229","","","","","","1.034","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227890","11.028","0.007","14.215","0.008","11.554","0.007","90","","114.243","0.007","90","","1651.5","1.7","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(2,1,3-benzothiadiazol-4-yl)-3-methyl-1H-indole-1-carboxylate","","- C18 H15 N3 O2 S -","- C18 H15 N3 O2 S -","- C72 H60 N12 O8 S4 -","4","1","","Ito, Suguru; Taguchi, Tomohiro; Yamada, Takeshi; Ubukata, Takashi; Yamaguchi, Yoshitaka; Asami, Masatoshi","Indolylbenzothiadiazoles with varying substituents on the indole ring: a systematic study on the self-recovering mechanochromic luminescence","RSC Adv.","2017","7","28","16953","","10.1039/C7RA01006K","","","0.71075","MoKα","","0.091","0.0724","","","0.19","0.2121","","","","","","1.099","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227891","12.119","0.005","13.78","0.005","21.31","0.008","90","","98.941","0.007","90","","3516","2","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(2,1,3-Benzothiadiazol-4-yl)-3-methyl-1H-indol-1-yl-2,2-dimethylpropan-1-one","","- C20 H19 N3 O S -","- C20 H19 N3 O S -","- C160 H152 N24 O8 S8 -","8","2","","Ito, Suguru; Taguchi, Tomohiro; Yamada, Takeshi; Ubukata, Takashi; Yamaguchi, Yoshitaka; Asami, Masatoshi","Indolylbenzothiadiazoles with varying substituents on the indole ring: a systematic study on the self-recovering mechanochromic luminescence","RSC Adv.","2017","7","28","16953","","10.1039/C7RA01006K","","","0.71075","MoKα","","0.0643","0.0506","","","0.1178","0.1268","","","","","","1.082","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227892","20.828","0.007","11.825","0.004","15.926","0.005","90","","111.203","0.004","90","","3657","2","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(2,1,3-Benzothiadiazol-4-yl)-3-methyl-1H-indol-1-yl(phenyl)methanone","","- C22 H15 N3 O S -","- C22 H15 N3 O S -","- C176 H120 N24 O8 S8 -","8","1","","Ito, Suguru; Taguchi, Tomohiro; Yamada, Takeshi; Ubukata, Takashi; Yamaguchi, Yoshitaka; Asami, Masatoshi","Indolylbenzothiadiazoles with varying substituents on the indole ring: a systematic study on the self-recovering mechanochromic luminescence","RSC Adv.","2017","7","28","16953","","10.1039/C7RA01006K","","","0.71075","MoKα","","0.1147","0.0843","","","0.2211","0.2476","","","","","","1.126","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227916","14.221","0.0001","14.221","","9.5733","0.0001","90","","90","","120","","1676.69","0.02","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Al2 Cd O4 -","- Al2 Cd O4 -","- Al36 Cd18 O72 -","18","1","","Ran, Weiguang; Wang, Lili; Liu, Qingzhi; Liu, Guangzeng; Qu, Dan; Pan, Xiaohua; Shi, Jinsheng","Mn2+ doped CdAl2O4 phosphors with new structure and special fluorescence properties: experimental and theoretical analysis","RSC Adv.","2017","7","29","17612","","10.1039/C7RA01623A","","","","","","","","","","","","","","","","","","","","","has coordinates","194403","2020-10-21","18:00:00",""
"7227917","18.9711","0.0009","18.9711","0.0009","44.954","0.002","90","","90","","120","","14011.5","1.1","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C19 H11 Cu N O4 -","- C19 H7 Cu N O4 -","- C342 H126 Cu18 N18 O72 -","18","1","","Wang, Di; Sun, Libo; Liu, Yuchuan; Du, Jianfeng; Wang, Shun; Song, Xiaowei; Liang, Zhiqiang","Synthesis, structure and gas adsorption properties of a stable microporous Cu-based metal‒organic framework assembled from a T-shaped pyridyl dicarboxylate ligand","RSC Adv.","2017","7","29","17697","","10.1039/C7RA01125C","","","0.71073","MoKα","","0.0735","0.0597","","","0.2127","0.2315","","","","","","1.184","","","","has coordinates","194404","2020-10-21","18:00:00",""
"7227924","22.3946","0.0004","4.8894","0.0001","16.9441","0.0003","90","","122.616","0.001","90","","1562.73","0.05","297","2","297","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C13 H14 Cu N2 O7 P2 -","- C13 H14 Cu N2 O7 P2 -","- C52 H56 Cu4 N8 O28 P8 -","4","1","","Demadis, Konstantinos D.; Anagnostou, Zafeiria; Panera, Aggeliki; Mezei, Gellert; Kirillova, Marina V.; Kirillov, Alexander M.","Three-component 1D and 2D metal phosphonates: structural variability, topological analysis and catalytic hydrocarboxylation of alkanes","RSC Adv.","2017","7","29","17788","","10.1039/C7RA00738H","","","0.71073","MoKα","","0.0251","0.022","","","0.05","0.0512","","","","","","1.043","","","","has coordinates","194471","2020-10-21","18:00:00",""
"7227925","12.3487","0.0003","14.3471","0.0004","10.0005","0.0003","90","","107.578","0.001","90","","1689.04","0.08","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H18 Mn N2 O8 P2 -","- C12 H18 Mn N2 O8 P2 -","- C48 H72 Mn4 N8 O32 P8 -","4","0.5","","Demadis, Konstantinos D.; Anagnostou, Zafeiria; Panera, Aggeliki; Mezei, Gellert; Kirillova, Marina V.; Kirillov, Alexander M.","Three-component 1D and 2D metal phosphonates: structural variability, topological analysis and catalytic hydrocarboxylation of alkanes","RSC Adv.","2017","7","29","17788","","10.1039/C7RA00738H","","","0.71073","MoKα","","0.0321","0.0257","","","0.0711","0.0754","","","","","","1.042","","","","has coordinates","194471","2020-10-21","18:00:00",""
"7227926","5.5335","0.0002","10.6895","0.0003","12.6347","0.0004","95.967","0.002","90.237","0.002","103.332","0.002","722.96","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 N2 O6 P2 Zn -","- C12 H14 N2 O6 P2 Zn -","- C24 H28 N4 O12 P4 Zn2 -","2","1","","Demadis, Konstantinos D.; Anagnostou, Zafeiria; Panera, Aggeliki; Mezei, Gellert; Kirillova, Marina V.; Kirillov, Alexander M.","Three-component 1D and 2D metal phosphonates: structural variability, topological analysis and catalytic hydrocarboxylation of alkanes","RSC Adv.","2017","7","29","17788","","10.1039/C7RA00738H","","","0.71073","MoKα","","0.0347","0.0269","","","0.0587","0.0621","","","","","","1.055","","","","has coordinates","194471","2020-10-21","18:00:00",""
"7227927","7.2046","0.0001","19.6744","0.0002","13.6407","0.0001","90","","90","","90","","1933.52","0.04","297","2","297","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H22 N2 Ni O10 P2 -","- C14 H22 N2 Ni O10 P2 -","- C56 H88 N8 Ni4 O40 P8 -","4","0.5","","Demadis, Konstantinos D.; Anagnostou, Zafeiria; Panera, Aggeliki; Mezei, Gellert; Kirillova, Marina V.; Kirillov, Alexander M.","Three-component 1D and 2D metal phosphonates: structural variability, topological analysis and catalytic hydrocarboxylation of alkanes","RSC Adv.","2017","7","29","17788","","10.1039/C7RA00738H","","","0.71073","MoKα","","0.0302","0.0243","","","0.0607","0.0643","","","","","","1.067","","","","has coordinates,has disorder","194471","2020-10-21","18:00:00",""
"7227928","7.633","0.015","27.01","0.05","10.461","0.016","90","","125.38","0.1","90","","1758","6","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N6 O8 S Zn -","- C12 H14 N6 O8 S Zn -","- C48 H56 N24 O32 S4 Zn4 -","4","1","","Zou, Bi-Qun; Lu, Xing; Qin, Qi-Pin; Bai, Yu-Xia; Zhang, Ye; Wang, Meng; Liu, Yan-Cheng; Chen, Zhen-Feng; Liang, Hong","Three novel transition metal complexes of 6-methyl-2-oxo-quinoline-3-carbaldehyde thiosemicarbazone: synthesis, crystal structure, cytotoxicity, and mechanism of action","RSC Adv.","2017","7","29","17923","","10.1039/C7RA00826K","","","0.71073","MoKα","","0.1461","0.1133","","","0.2895","0.3252","","","","","","1.431","","","","has coordinates","194497","2020-10-21","18:00:00",""
"7227929","8.5965","0.0008","10.0815","0.0009","12.1404","0.0014","110.051","0.002","95.727","0.001","90.148","0.001","982.69","0.17","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H16 Cu N6 O9 S -","- C12 H16 Cu N6 O9 S -","- C24 H32 Cu2 N12 O18 S2 -","2","1","","Zou, Bi-Qun; Lu, Xing; Qin, Qi-Pin; Bai, Yu-Xia; Zhang, Ye; Wang, Meng; Liu, Yan-Cheng; Chen, Zhen-Feng; Liang, Hong","Three novel transition metal complexes of 6-methyl-2-oxo-quinoline-3-carbaldehyde thiosemicarbazone: synthesis, crystal structure, cytotoxicity, and mechanism of action","RSC Adv.","2017","7","29","17923","","10.1039/C7RA00826K","","","0.71073","MoKα","","0.2048","0.1694","","","0.4316","0.4537","","","","","","1.705","","","","has coordinates,has disorder","301865","2025-08-22","16:17:13",""
"7227930","44.6818","0.0013","7.1241","0.0003","18.747","0.001","90","","111.205","0.0016","90","","5563.5","0.4","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","5-diphenylamino-2-(4-pyridinium)thiazole?THF","","- C30 H26 F3 N3 O3.5 S2 -","- C30 H26 F3 N3 O3.5 S2 -","- C240 H208 F24 N24 O28 S16 -","8","1","","Yamaguchi, Kirara; Murai, Toshiaki; Tsuchiya, Yuki; Miwa, Yohei; Kutsumizu, Shoichi; Sasamori, Takahiro; Tokitoh, Norihiro","Pyridinium 5-aminothiazoles: specific photophysical properties and vapochromism in halogenated solvents","RSC Adv.","2017","7","29","18132","","10.1039/C7RA01896G","","","0.71075","MoKα","","0.0892","0.0754","","","0.2127","0.2255","","","","","","1.077","","","","has coordinates,has disorder","194498","2020-10-21","18:00:00",""
"7227931","7.1453","0.0001","9.8932","0.0002","19.2696","0.0004","83.277","0.001","84.66","0.001","73.971","0.001","1297.57","0.04","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","5-diphenylamino-2-(4-pyridinium)thiazole","","- C28 H22 F3 N3 O3 S2 -","- C28 H22 F3 N3 O3 S2 -","- C56 H44 F6 N6 O6 S4 -","2","1","","Yamaguchi, Kirara; Murai, Toshiaki; Tsuchiya, Yuki; Miwa, Yohei; Kutsumizu, Shoichi; Sasamori, Takahiro; Tokitoh, Norihiro","Pyridinium 5-aminothiazoles: specific photophysical properties and vapochromism in halogenated solvents","RSC Adv.","2017","7","29","18132","","10.1039/C7RA01896G","","","0.71075","MoKα","","0.0607","0.0517","","","0.135","0.1436","","","","","","1.025","","","","has coordinates,has disorder","301865","2025-08-22","16:17:13",""
"7227932","8.164","0.0004","12.4878","0.0006","16.1848","0.0008","90","","94.013","0.002","90","","1646","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 Cl N2 O4 Y -","- C17 H13 Cl N2 O4 Y -","- C68 H52 Cl4 N8 O16 Y4 -","4","1","","Tan, Xiao-Feng; Zhou, Jian; Zou, Hua-Hong; Fu, Lianshe; Tang, Qiuling; Wang, Peng","A series of lanthanide glutarates: lanthanide contraction effect on crystal frameworks of lanthanide glutarates","RSC Adv.","2017","7","29","17934","","10.1039/C7RA01552F","","","0.71073","MoKα","","0.0411","0.0404","","","0.1307","0.1314","","","","","","1.127","","","","has coordinates","194499","2020-10-21","18:00:00",""
"7227933","8.8586","0.0018","13.565","0.003","16.392","0.003","84.12","0.03","83.86","0.03","75.14","0.03","1887.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H34 Ce2 N4 O12 -","- C39 H34 Ce2 N4 O12 -","- C78 H68 Ce4 N8 O24 -","2","1","","Tan, Xiao-Feng; Zhou, Jian; Zou, Hua-Hong; Fu, Lianshe; Tang, Qiuling; Wang, Peng","A series of lanthanide glutarates: lanthanide contraction effect on crystal frameworks of lanthanide glutarates","RSC Adv.","2017","7","29","17934","","10.1039/C7RA01552F","","","0.71073","MoKα","","0.0348","0.0242","","","0.0539","0.0582","","","","","","1.065","","","","has coordinates","194499","2020-10-21","18:00:00",""
"7227934","9.076","0.002","9.867","0.003","16.303","0.004","103.349","0.016","104.11","0.009","98.526","0.01","1344.9","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H34 La2 O20 -","- C15 H34 La2 O20 -","- C30 H68 La4 O40 -","2","1","","Tan, Xiao-Feng; Zhou, Jian; Zou, Hua-Hong; Fu, Lianshe; Tang, Qiuling; Wang, Peng","A series of lanthanide glutarates: lanthanide contraction effect on crystal frameworks of lanthanide glutarates","RSC Adv.","2017","7","29","17934","","10.1039/C7RA01552F","","","0.71073","MoKα","","0.0296","0.0281","","","0.0769","0.0791","","","","","","1.18","","","","has coordinates","194499","2020-10-21","18:00:00",""
"7227935","8.7671","0.0005","13.4002","0.0007","16.4124","0.0011","83.911","0.002","84.424","0.002","75.048","0.002","1847.46","0.19","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H34 Ho2 N4 O12 -","- C39 H34 Ho2 N4 O12 -","- C78 H68 Ho4 N8 O24 -","2","1","","Tan, Xiao-Feng; Zhou, Jian; Zou, Hua-Hong; Fu, Lianshe; Tang, Qiuling; Wang, Peng","A series of lanthanide glutarates: lanthanide contraction effect on crystal frameworks of lanthanide glutarates","RSC Adv.","2017","7","29","17934","","10.1039/C7RA01552F","","","0.71073","MoKα","","0.0768","0.0342","","","0.045","0.0532","","","","","","0.959","","","","has coordinates","194499","2020-10-21","18:00:00",""
"7227936","8.1381","0.0011","12.4629","0.0016","16.161","0.003","90","","94.034","0.005","90","","1635.1","0.4","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Cl N2 O4 Tm -","- C17 H14 Cl N2 O4 Tm -","- C68 H56 Cl4 N8 O16 Tm4 -","4","1","","Tan, Xiao-Feng; Zhou, Jian; Zou, Hua-Hong; Fu, Lianshe; Tang, Qiuling; Wang, Peng","A series of lanthanide glutarates: lanthanide contraction effect on crystal frameworks of lanthanide glutarates","RSC Adv.","2017","7","29","17934","","10.1039/C7RA01552F","","","0.71073","MoKα","","0.1023","0.0429","","","0.0594","0.0719","","","","","","0.95","","","","has coordinates","194499","2020-10-21","18:00:00",""
"7227937","8.7895","0.0004","13.4391","0.0007","16.4098","0.0009","83.909","0.002","84.34","0.002","74.984","0.002","1856.5","0.16","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H34 N4 O12 Tb2 -","- C39 H34 N4 O12 Tb2 -","- C78 H68 N8 O24 Tb4 -","2","1","","Tan, Xiao-Feng; Zhou, Jian; Zou, Hua-Hong; Fu, Lianshe; Tang, Qiuling; Wang, Peng","A series of lanthanide glutarates: lanthanide contraction effect on crystal frameworks of lanthanide glutarates","RSC Adv.","2017","7","29","17934","","10.1039/C7RA01552F","","","0.71073","MoKα","","0.0722","0.0334","","","0.0487","0.0561","","","","","","0.963","","","","has coordinates","194499","2020-10-21","18:00:00",""
"7227938","9.6046","0.0004","10.6651","0.0005","14.3071","0.0006","90","","100.53","0.003","90","","1440.85","0.11","296","1","296","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N4 -","- C17 H16 N4 -","- C68 H64 N16 -","4","1","","Meti, Puttavva; Lee, Eun-Sil; Yang, Jung-Won; Gong, Young-Dae","Regioselective synthesis of dipyrrolopyrazine (DPP) derivatives via metal free and metal catalyzed amination and investigation of their optical and thermal properties","RSC Adv.","2017","7","29","18120","","10.1039/C7RA01795B","","","0.71073","MoKα","","0.0793","0.0597","","","0.1485","0.1617","","","","","","1.123","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227939","10.6893","0.0019","13.959","0.002","14.063","0.002","70.144","0.01","70.634","0.01","89.661","0.011","1848.4","0.5","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H50 N14 O32 Ru2 W10 -","- C52 H50 N14 O32 Ru2 W10 -","- C52 H50 N14 O32 Ru2 W10 -","1","0.5","","Wang, Shugai; Xing, Songzhu; Shi, Zhuolin; He, Jiachen; Han, Qiuxia; Li, Mingxue","Electrostatic polypyridine–ruthenium(ii)⋯decatungstate dyads: structures, characterizations and photodegradation of dye","RSC Adv.","2017","7","29","18024","","10.1039/C7RA01342F","","","0.71073","MoKα","","0.0474","0.033","","","0.0796","0.0851","","","","","","1.001","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227940","20.5261","0.001","9.0318","0.0005","10.5375","0.0006","90","","90","","90","","1953.52","0.18","293","2","293","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","Isoquinoline","4-Carbomethoxy-7-(4-chlorophenylamino)-6-bromo-3-bromoethyl-1-methyl-5,8-dioxo-5,8-dihydroisoquinoline","","- C19 H13 Br2 Cl N2 O4 -","- C19 H13 Br2 Cl N2 O4 -","- C76 H52 Br8 Cl4 N8 O16 -","4","1","","Novais, Juliana S.; Campos, Vinicius R.; Silva, Ana Carolina J. A.; de Souza, Maria C. B. V.; Ferreira, Vitor F.; Keller, Vitor G. L.; Ferreira, Matheus O.; Dias, Flaviana R. F.; Vitorino, Maíra I.; Sathler, Plínio C.; Santana, Marcos V.; Resende, Jackson A. L. C.; Castro, Helena C.; Cunha, Anna C.","Synthesis and antimicrobial evaluation of promising 7-arylamino-5,8-dioxo-5,8-dihydroisoquinoline-4-carboxylates and their halogenated amino compounds for treating Gram-negative bacterial infections","RSC Adv.","2017","7","30","18311","","10.1039/C7RA00825B","","x-ray","0.71073","MoKα","","0.0917","0.052","","","0.1117","0.1267","","","","","","1.005","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227941","14.56","0.003","10.207","0.002","25.11","0.005","90","","102.18","0.03","90","","3647.7","1.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Isoquinoline","4-Carbomethoxy-7-(4-chlorophenylamino)-6-bromo-1,3-dimethyl-5,8-dioxo-5,8-dihydroisoquinoline","","- C19 H14 Br Cl N2 O4 -","- C19 H14 Br Cl N2 O4 -","- C152 H112 Br8 Cl8 N16 O32 -","8","1","","Novais, Juliana S.; Campos, Vinicius R.; Silva, Ana Carolina J. A.; de Souza, Maria C. B. V.; Ferreira, Vitor F.; Keller, Vitor G. L.; Ferreira, Matheus O.; Dias, Flaviana R. F.; Vitorino, Maíra I.; Sathler, Plínio C.; Santana, Marcos V.; Resende, Jackson A. L. C.; Castro, Helena C.; Cunha, Anna C.","Synthesis and antimicrobial evaluation of promising 7-arylamino-5,8-dioxo-5,8-dihydroisoquinoline-4-carboxylates and their halogenated amino compounds for treating Gram-negative bacterial infections","RSC Adv.","2017","7","30","18311","","10.1039/C7RA00825B","","x-ray","0.71073","MoKα","","0.0987","0.0507","","","0.1128","0.1283","","","","","","0.938","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227942","11.806","0.0004","13.343","0.0004","15.4244","0.0005","90","","91.18","0.001","90","","2429.25","0.14","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","alonnphcl","LBu-AlMe2","","- C24 H32 Al Cl N2 O -","- C24 H32 Al Cl N2 O -","- C96 H128 Al4 Cl4 N8 O4 -","4","1","","Hsu, Chiao-Yin; Tseng, Hsi-Ching; Vandavasi, Jaya Kishore; Lu, Wei-Yi; Wang, Li-Fang; Chiang, Michael Y.; Lai, Yi-Chun; Chen, Hsing-Yin; Chen, Hsuan-Ying","Investigation of the dinuclear effect of aluminum complexes in the ring-opening polymerization of ε-caprolactone","RSC Adv.","2017","7","31","18851","","10.1039/C7RA02136D","","","0.71073","MoKα","","0.0543","0.0405","","","0.1088","0.1225","","","","","","1.008","","","","has coordinates","194575","2020-10-21","18:00:00",""
"7227943","5.7071","0.0011","7.8905","0.0016","15.868","0.003","90","","97.78","0.03","90","","708","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 O6 Zn -","- C16 H14 O6 Zn -","- C32 H28 O12 Zn2 -","2","1","","Huang, Ji-Han; Hou, Guang-Feng; Ma, Dong-Sheng; Yu, Ying-Hui; Jiang, Wen-Hong; Huang, Qi; Gao, Jin-Sheng","Two pairs of Zn(ii) coordination polymer enantiomers based on chiral aromatic polycarboxylate ligands: synthesis, crystal structures and properties","RSC Adv.","2017","7","30","18650","","10.1039/C7RA00337D","","","0.71073","MoKα","","0.0419","0.0354","","","0.0915","0.1064","","","","","","1.107","","","","has coordinates","194576","2020-10-21","18:00:00",""
"7227944","5.6961","0.0011","7.8959","0.0016","15.87","0.003","90","","97.98","0.03","90","","706.9","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 O6 Zn -","- C16 H14 O6 Zn -","- C32 H28 O12 Zn2 -","2","1","","Huang, Ji-Han; Hou, Guang-Feng; Ma, Dong-Sheng; Yu, Ying-Hui; Jiang, Wen-Hong; Huang, Qi; Gao, Jin-Sheng","Two pairs of Zn(ii) coordination polymer enantiomers based on chiral aromatic polycarboxylate ligands: synthesis, crystal structures and properties","RSC Adv.","2017","7","30","18650","","10.1039/C7RA00337D","","","0.71073","MoKα","","0.0302","0.0274","","","0.0609","0.0627","","","","","","1.076","","","","has coordinates","194576","2020-10-21","18:00:00",""
"7227945","6.0565","0.0012","7.3687","0.0015","15.825","0.003","90","","96.6","0.03","90","","701.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H14 O7 Zn -","- C14 H14 O7 Zn -","- C28 H28 O14 Zn2 -","2","1","","Huang, Ji-Han; Hou, Guang-Feng; Ma, Dong-Sheng; Yu, Ying-Hui; Jiang, Wen-Hong; Huang, Qi; Gao, Jin-Sheng","Two pairs of Zn(ii) coordination polymer enantiomers based on chiral aromatic polycarboxylate ligands: synthesis, crystal structures and properties","RSC Adv.","2017","7","30","18650","","10.1039/C7RA00337D","","","0.71073","MoKα","","0.0274","0.0254","","","0.0567","0.0575","","","","","","1.088","","","","has coordinates","194576","2020-10-21","18:00:00",""
"7227946","6.045","0.005","7.363","0.005","15.846","0.005","90","0.005","96.636","0.005","90","0.005","700.6","0.8","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H14 O7 Zn -","- C14 H14 O7 Zn -","- C28 H28 O14 Zn2 -","2","1","","Huang, Ji-Han; Hou, Guang-Feng; Ma, Dong-Sheng; Yu, Ying-Hui; Jiang, Wen-Hong; Huang, Qi; Gao, Jin-Sheng","Two pairs of Zn(ii) coordination polymer enantiomers based on chiral aromatic polycarboxylate ligands: synthesis, crystal structures and properties","RSC Adv.","2017","7","30","18650","","10.1039/C7RA00337D","","","0.71069","MoKα","","0.0445","0.0428","","","0.1247","0.1271","","","","","","1.079","","","","has coordinates","194576","2020-10-21","18:00:00",""
"7227950","7.752","0.006","6.391","0.005","8.702","0.008","90","","116.05","0.04","90","","387.3","0.6","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C2 H6 N8 O4 -","- C2 H6 N8 O4 -","- C4 H12 N16 O8 -","2","0.25","","Yu, Yuehai; Chen, Shusen; Li, Xin; Jin, Shaohua; Li, Lijie; Zhang, Guangyuan; Ma, Xiao; Shu, Qinghai","The novel compound dimethylamine-5,5′-bistetrazole-1,1′-diolate: crystal structure, thermal investigation, safety evaluation and theoretical studies","RSC Adv.","2017","7","30","18523","","10.1039/C7RA00908A","","","0.71073","MoKα","","0.1079","0.1036","","","0.3082","0.3191","","","","","","1.505","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7227951","4.864","0.004","25.342","0.02","6.732","0.005","90","","100.365","0.009","90","","816.3","1.1","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H16 N18 O6 -","- C6 H16 N18 O6 -","- C12 H32 N36 O12 -","2","0.5","","Yu, Yuehai; Chen, Shusen; Li, Xin; Jin, Shaohua; Li, Lijie; Zhang, Guangyuan; Ma, Xiao; Shu, Qinghai","The novel compound dimethylamine-5,5′-bistetrazole-1,1′-diolate: crystal structure, thermal investigation, safety evaluation and theoretical studies","RSC Adv.","2017","7","30","18523","","10.1039/C7RA00908A","","","0.71073","MoKα","","0.13","0.1042","","","0.2663","0.2781","","","","","","0.998","","","","has coordinates,has disorder","301865","2025-08-22","16:17:13",""
"7227952","11.8521","0.0011","12.22","0.0012","14.6694","0.0015","68.971","0.009","68.595","0.009","61.417","0.01","1692.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H27 Cd2 N5 O9 -","- C38 H27 Cd2 N5 O9 -","- C76 H54 Cd4 N10 O18 -","2","1","","Guo, Xiao-Yu; Zhao, Fei; Liu, Hou-Ting; Wang, Yan-Qin; Liu, Zhi-Liang; Gao, En-Qing","Five new 2D and 3D coordination polymers based on two new multifunctional pyridyl‒tricarboxylate ligands: hydrothermal syntheses, structural diversity, luminescent and magnetic properties","RSC Adv.","2017","7","31","19039","","10.1039/C7RA02063E","","","0.71073","MoKα","","0.0891","0.0546","","","0.0973","0.1248","","","","","","1.035","","","","has coordinates","194637","2020-10-21","18:00:00",""
"7227953","18.48","0.002","9.4446","0.0009","8.0006","0.0007","90","","99.263","0.003","90","","1378.2","0.2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Co N O8 -","- C14 H11 Co N O8 -","- C56 H44 Co4 N4 O32 -","4","1","","Guo, Xiao-Yu; Zhao, Fei; Liu, Hou-Ting; Wang, Yan-Qin; Liu, Zhi-Liang; Gao, En-Qing","Five new 2D and 3D coordination polymers based on two new multifunctional pyridyl‒tricarboxylate ligands: hydrothermal syntheses, structural diversity, luminescent and magnetic properties","RSC Adv.","2017","7","31","19039","","10.1039/C7RA02063E","","","0.71073","MoKα","","0.0261","0.024","","","0.062","0.063","","","","","","1.1","","","","has coordinates","194637","2020-10-21","18:00:00",""
"7227954","7.1966","0.0005","10.3116","0.0006","12.2101","0.0008","102.745","0.002","101.788","0.002","92.055","0.002","862.02","0.1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 Co3 N2 O24 -","- C28 H36 Co3 N2 O24 -","- C28 H36 Co3 N2 O24 -","1","0.5","","Guo, Xiao-Yu; Zhao, Fei; Liu, Hou-Ting; Wang, Yan-Qin; Liu, Zhi-Liang; Gao, En-Qing","Five new 2D and 3D coordination polymers based on two new multifunctional pyridyl‒tricarboxylate ligands: hydrothermal syntheses, structural diversity, luminescent and magnetic properties","RSC Adv.","2017","7","31","19039","","10.1039/C7RA02063E","","","0.71073","MoKα","","0.0291","0.0254","","","0.0614","0.0629","","","","","","1.064","","","","has coordinates","194637","2020-10-21","18:00:00",""
"7227955","15.7203","0.001","13.1516","0.0009","6.1682","0.0004","90","","90","","90","","1275.26","0.15","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C14 H7 N O6 Zn -","- C14 H7 N O6 Zn -","- C56 H28 N4 O24 Zn4 -","4","1","","Guo, Xiao-Yu; Zhao, Fei; Liu, Hou-Ting; Wang, Yan-Qin; Liu, Zhi-Liang; Gao, En-Qing","Five new 2D and 3D coordination polymers based on two new multifunctional pyridyl‒tricarboxylate ligands: hydrothermal syntheses, structural diversity, luminescent and magnetic properties","RSC Adv.","2017","7","31","19039","","10.1039/C7RA02063E","","","1.54184","CuKα","","0.0625","0.0481","","","0.1165","0.1318","","","","","","1.083","","","","has coordinates","194637","2020-10-21","18:00:00",""
"7227956","9.633","0.001","10.6019","0.0009","11.2826","0.001","96.503","0.007","104.988","0.008","104.111","0.008","1060.2","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H32 Mn3 N6 O14 -","- C48 H32 Mn3 N6 O14 -","- C48 H32 Mn3 N6 O14 -","1","0.5","","Guo, Xiao-Yu; Zhao, Fei; Liu, Hou-Ting; Wang, Yan-Qin; Liu, Zhi-Liang; Gao, En-Qing","Five new 2D and 3D coordination polymers based on two new multifunctional pyridyl‒tricarboxylate ligands: hydrothermal syntheses, structural diversity, luminescent and magnetic properties","RSC Adv.","2017","7","31","19039","","10.1039/C7RA02063E","","","1.54184","CuKα","","0.0862","0.0559","","","0.122","0.1405","","","","","","1.025","","","","has coordinates","194637","2020-10-21","18:00:00",""
"7227957","12.485","0.003","13.08","0.003","23.566","0.005","90","","90","","90","","3848.4","1.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Bi2 I9 N6 O0 -","- C18 H21 Bi2 I9 N6 -","- C72 H84 Bi8 I36 N24 -","4","1","","Wang, Rong-Yan; Zhang, Xiao; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Ji-Qing","New discrete iodometallates with in situ generated triimidazole derivatives as countercations (Mn+ = Ag+, Pb2+, Bi3+)","RSC Adv.","2017","7","31","19073","","10.1039/C6RA27510A","","","0.71073","MoKα","","0.0526","0.0382","","","0.0665","0.0705","","","","","","1.04","","","","has coordinates","194638","2020-10-21","18:00:00",""
"7227958","11.2094","0.0003","13.2371","0.0004","21.8384","0.0005","90","","92.965","0.002","90","","3236.04","0.15","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 Ag6 Br0 I12 N12 O0 -","- C36 H42 Ag6 I12 N12 -","- C72 H84 Ag12 I24 N24 -","2","0.5","","Wang, Rong-Yan; Zhang, Xiao; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Ji-Qing","New discrete iodometallates with in situ generated triimidazole derivatives as countercations (Mn+ = Ag+, Pb2+, Bi3+)","RSC Adv.","2017","7","31","19073","","10.1039/C6RA27510A","","","0.71073","MoKα","","0.0552","0.0343","","","0.0736","0.081","","","","","","0.979","","","","has coordinates","194638","2020-10-21","18:00:00",""
"7227959","12.496","0.003","20.569","0.004","12.634","0.003","90","","100.16","0.03","90","","3196.4","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H46 I12 N12 O2 Pb3 -","- C36 H42 I12 N12 O2 Pb3 -","- C72 H84 I24 N24 O4 Pb6 -","2","0.5","","Wang, Rong-Yan; Zhang, Xiao; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Ji-Qing","New discrete iodometallates with in situ generated triimidazole derivatives as countercations (Mn+ = Ag+, Pb2+, Bi3+)","RSC Adv.","2017","7","31","19073","","10.1039/C6RA27510A","","","0.71073","MoKα","","0.0797","0.0492","","","0.0838","0.0926","","","","","","1.05","","","","has coordinates","194638","2020-10-21","18:00:00",""
"7227960","14.09","0.002","14.09","0.002","31.201","0.006","90","","90","","120","","5364.4","1.5","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C36 H42 Ag8 I14 N12 O0 -","- C36 H42 Ag8 I14 N12 -","- C108 H126 Ag24 I42 N36 -","3","0.166667","","Wang, Rong-Yan; Zhang, Xiao; Huo, Qi-Sheng; Yu, Jie-Hui; Xu, Ji-Qing","New discrete iodometallates with in situ generated triimidazole derivatives as countercations (Mn+ = Ag+, Pb2+, Bi3+)","RSC Adv.","2017","7","31","19073","","10.1039/C6RA27510A","","","0.71073","MoKα","","0.0484","0.0417","","","0.0925","0.0954","","","","","","1.094","","","","has coordinates","194638","2020-10-21","18:00:00",""
"7228049","9.0919","0.0005","11.467","0.0006","18.2129","0.0009","101.076","0.002","90.19","0.002","96.853","0.002","1849.47","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H45 N5 O6 Zn -","- C38 H45 N5 O6 Zn -","- C76 H90 N10 O12 Zn2 -","2","1","","Wang, Wen-Jie; Hao, Liang; Chen, Chao-Yuan; Qiu, Qi-Ming; Wang, Ke; Song, Jian-Biao; Li, Hui","Red-shift in fluorescence emission of D–A type asymmetrical Zn(ii) complexes by extending the π–π stacking interaction","RSC Adv.","2017","7","33","20488","","10.1039/C7RA01135K","","","0.71073","MoKα","","0.0539","0.0366","","","0.1009","0.1134","","","","","","1.047","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228050","23.447","0.003","18.503","0.003","14.697","0.002","90","","109.402","0.005","90","","6014","1.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H35 N3 O5 Zn -","- C30 H35 N3 O5 Zn -","- C240 H280 N24 O40 Zn8 -","8","1","","Wang, Wen-Jie; Hao, Liang; Chen, Chao-Yuan; Qiu, Qi-Ming; Wang, Ke; Song, Jian-Biao; Li, Hui","Red-shift in fluorescence emission of D–A type asymmetrical Zn(ii) complexes by extending the π–π stacking interaction","RSC Adv.","2017","7","33","20488","","10.1039/C7RA01135K","","","0.71073","MoKα","","0.1261","0.0444","","","0.0735","0.0877","","","","","","0.786","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228051","13.3099","0.0007","32.1189","0.0018","18.9918","0.001","90","","94.049","0.001","90","","8098.7","0.8","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C17 H105 N33 O129 P4 Sn2 W30 Zn2 -","- C17 H74 N33 O126 P4 Sn2 W30 Zn2 -","- C34 H148 N66 O252 P8 Sn4 W60 Zn4 -","2","0.5","","Guo, Li-Ying; Li, Ying; Zhang, Yao; Li, Jian-Sheng; You, Wan-Sheng; Su, Fang; Zhu, Zai-Ming; Sang, Xiao-Jing; Zhang, Lan-Cui","Extended visible photosensitivity of carboxyethyltin functionalized polyoxometalates with common organic dyes enabling enhanced photoelectric performance","RSC Adv.","2017","7","33","20685","","10.1039/C7RA02353G","","","0.71073","MoKα","","0.0754","0.0455","","","0.0997","0.1109","","","","","","1.038","","","","has coordinates,has disorder","195328","2020-10-21","18:00:00",""
"7228052","13.3227","0.0007","32.2012","0.0016","19.096","0.001","90","","94.054","0.001","90","","8171.8","0.7","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18 H112 Cu2 N36 O130 P4 Sn2 W30 -","- C18 H80 Cu2 N36 O123 P4 Sn2 W30 -","- C36 H160 Cu4 N72 O246 P8 Sn4 W60 -","2","0.5","","Guo, Li-Ying; Li, Ying; Zhang, Yao; Li, Jian-Sheng; You, Wan-Sheng; Su, Fang; Zhu, Zai-Ming; Sang, Xiao-Jing; Zhang, Lan-Cui","Extended visible photosensitivity of carboxyethyltin functionalized polyoxometalates with common organic dyes enabling enhanced photoelectric performance","RSC Adv.","2017","7","33","20685","","10.1039/C7RA02353G","","","0.71073","MoKα","","0.0936","0.0501","","","0.1083","0.1264","","","","","","1.015","","","","has coordinates","195328","2020-10-21","18:00:00",""
"7228057","30.261","0.006","9.6957","0.0019","21.35","0.004","90","","120.61","0.03","90","","5391","2","153","2","153","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42 H58 Cu2 N8 O27 P2 -","- C42 H58 Cu2 N8 O27 P2 -","- C168 H232 Cu8 N32 O108 P8 -","4","1","","Gu, Leilei; Qiu, Qi-ming; Zhou, Pei; Hao, Liang; Liu, Minghua; Li, Hui","Unusual crystal structure and chirality of uridine 5′-monophosphate coordination polymer","RSC Adv.","2017","7","34","20840","","10.1039/C7RA00851A","","","0.71073","MoKα","","0.0838","0.0732","","","0.1934","0.2043","","","","","","1.045","","","","has coordinates,has disorder","195340","2020-10-21","18:00:00",""
"7228058","10.364","0.003","20.041","0.006","15.393","0.004","90","","98.08","0.007","90","","3165.5","1.6","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H68 Cu2 N12 O31 P2 -","- C42 H68 Cu2 N12 O31 P2 -","- C84 H136 Cu4 N24 O62 P4 -","2","1","","Gu, Leilei; Qiu, Qi-ming; Zhou, Pei; Hao, Liang; Liu, Minghua; Li, Hui","Unusual crystal structure and chirality of uridine 5′-monophosphate coordination polymer","RSC Adv.","2017","7","34","20840","","10.1039/C7RA00851A","","","0.71073","MoKα","","0.1104","0.071","","","0.1672","0.1815","","","","","","1.046","","","","has coordinates","195340","2020-10-21","18:00:00",""
"7228084","9.8013","0.0003","11.1877","0.0005","13.1188","0.0006","99.051","0.004","106.017","0.003","106.133","0.004","1284.88","0.1","150","40","150","40","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 Br N2 O5 -","- C27 H29 Br N2 O5 -","- C54 H58 Br2 N4 O10 -","2","1","","Yang, Kai-Chuan; Li, Jun-Long; Shen, Xu-Dong; Li, Qiang; Leng, Hai-Jun; Huang, Qian; Zheng, Peng-Kun; Gou, Xiao-Jun; Zhi, Yong-Gang","Facile synthesis of novel spiroheterocycles via diastereoselective aziridination of cyclic enones","RSC Adv.","2017","7","34","21175","","10.1039/C6RA28508B","","x-ray","1.54184","CuKα","","0.052","0.0504","","","0.1316","0.1341","","","","","","1.056","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228085","24.742","0.003","33.475","0.003","18.4621","0.0019","90","","90","","90","","15291","3","296","2","296","2","","","","","","","","4","C m c 21","C 2c -2","36","NJFU-3","NJFU-3","","- C69 H36 Cu6 O33 -","- C69 H36 Cu6 O33 -","- C276 H144 Cu24 O132 -","4","0.5","","Du, Liting; Lu, Zhiyong; Xu, Li; Zhang, Jinchi","A new mfj-type metal‒organic framework constructed from a methoxyl derived V-shaped ligand and its H2, CO2 and CH4 adsorption properties","RSC Adv.","2017","7","34","21268","","10.1039/C7RA02122D","","","0.71073","MoKα","","0.1022","0.0729","","","0.1842","0.1967","","","","","","0.984","","","","has coordinates,has disorder","195442","2020-10-21","18:00:00",""
"7228087","7.0888","0.0014","14.392","0.003","10.586","0.002","90","","97.4","0.03","90","","1071","0.4","153.15","","153.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 N6 -","- C10 H14 N6 -","- C40 H56 N24 -","4","1","","Yuan, Yutao; Zhang, Yanqiang; Liu, Long; Jiao, Nianming; Dong, Kun; Zhang, Suojiang","Bicyclic ammonium ionic liquids as dense hypergolic fuels","RSC Adv.","2017","7","35","21592","","10.1039/C7RA03090H","","","0.71073","MoKα","","0.067","0.0596","","","0.1276","0.1391","","","","","","1.211","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228094","7.00418","0.00008","15.07922","0.00014","15.68796","0.00017","90","","90","","90","","1656.92","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C76 H96 N8 O8 -","4","1","","Liu, Zhi-Wen; Tang, Ben-Qin; Zhang, Qing-Hua; Wang, Wen-Jing; Huang, Xiao-Jun; Zhang, Jian; Shi, Lei; Zhang, Xiao-Qi; Ye, Wen-Cai","Ervaoffines E–G, three iboga-type alkaloids featuring ring C cleavage and rearrangement from Ervatamia officinalis","RSC Adv.","2017","7","35","21883","","10.1039/C7RA03411C","","x-ray","1.54184","CuKα","","0.0309","0.0302","","","0.076","0.0769","","","","","","1.044","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228095","8.7507","0.0001","14.3787","0.0002","27.3576","0.0004","90","","90","","90","","3442.23","0.08","173","0.1","173","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Lirofolines A","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C160 H192 N16 O16 -","8","2","","Liu, Zhi-Wen; Tang, Ben-Qin; Zhang, Qing-Hua; Wang, Wen-Jing; Huang, Xiao-Jun; Zhang, Jian; Shi, Lei; Zhang, Xiao-Qi; Ye, Wen-Cai","Ervaoffines E–G, three iboga-type alkaloids featuring ring C cleavage and rearrangement from Ervatamia officinalis","RSC Adv.","2017","7","35","21883","","10.1039/C7RA03411C","","","1.5418","CuKα","","0.0309","0.0291","","","0.0722","0.0737","","","","","","1.092","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228096","8.2518","0.0002","14.8377","0.0004","20.0844","0.0006","90","","92.219","0.002","90","","2457.24","0.12","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","usu223","","","- C29 H19 Cl N2 O7 Zn -","- C29 H19 Cl N2 O7 Zn -","- C116 H76 Cl4 N8 O28 Zn4 -","4","1","","Popova, Marina; Soboleva, Tatiana; Arif, Atta M.; Berreau, Lisa M.","Properties of a flavonol-based photoCORM in aqueous buffered solutions: influence of metal ions, surfactants and proteins on visible light-induced CO release","RSC Adv.","2017","7","36","21997","","10.1039/C7RA02653F","","","0.71073","MoKα","","0.0374","0.0318","","","0.0865","0.0897","","","","","","1.062","","","","has coordinates,has disorder","195620","2020-10-21","18:00:00",""
"7228100","9.4739","0.0008","10.4564","0.001","10.8136","0.0016","109.389","0.003","110.956","0.002","104.273","0.002","858.68","0.17","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N4 O2 -","- C20 H20 N4 O2 -","- C40 H40 N8 O4 -","2","1","","Routaboul, Lucie; Tanabe, Iori; Santana, Juan Colon; Yuan, Minghui; Ghisolfi, Alessio; Garcia, William Serrano; Dowben, Peter A.; Doudin, Bernard; Braunstein, Pierre","Changes in molecular film metallicity with minor modifications of the constitutive quinonoid zwitterions","RSC Adv.","2017","7","35","21906","","10.1039/C7RA01597F","","","0.71073","MoKα","","0.1021","0.0476","","","0.0988","0.1178","","","","","","1.003","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228101","12.666","0.002","13.2","0.003","13.728","0.003","90","","90","","90","","2295.2","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C88 H88 N8 O8 -","4","1","","Routaboul, Lucie; Tanabe, Iori; Santana, Juan Colon; Yuan, Minghui; Ghisolfi, Alessio; Garcia, William Serrano; Dowben, Peter A.; Doudin, Bernard; Braunstein, Pierre","Changes in molecular film metallicity with minor modifications of the constitutive quinonoid zwitterions","RSC Adv.","2017","7","35","21906","","10.1039/C7RA01597F","","","0.71073","MoKα","","0.2113","0.0921","","","0.2355","0.2808","","","","","","0.927","","","","has coordinates","195652","2020-10-21","18:00:00",""
"7228102","7.9425","0.0003","11.2305","0.0005","12.3864","0.0005","69.742","0.001","88.551","0.001","74.278","0.001","994.85","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 N2 O2 -","- C24 H26 N2 O2 -","- C48 H52 N4 O4 -","2","1","","Routaboul, Lucie; Tanabe, Iori; Santana, Juan Colon; Yuan, Minghui; Ghisolfi, Alessio; Garcia, William Serrano; Dowben, Peter A.; Doudin, Bernard; Braunstein, Pierre","Changes in molecular film metallicity with minor modifications of the constitutive quinonoid zwitterions","RSC Adv.","2017","7","35","21906","","10.1039/C7RA01597F","","","0.71073","MoKα","","0.0788","0.0439","","","0.1079","0.1208","","","","","","1.026","","","","has coordinates","195652","2020-10-21","18:00:00",""
"7228103","6.0492","0.0004","13.9149","0.0009","12.3077","0.0008","90","","97.355","0.004","90","","1027.46","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H26 N2 O2 -","- C24 H26 N2 O2 -","- C48 H52 N4 O4 -","2","1","","Routaboul, Lucie; Tanabe, Iori; Santana, Juan Colon; Yuan, Minghui; Ghisolfi, Alessio; Garcia, William Serrano; Dowben, Peter A.; Doudin, Bernard; Braunstein, Pierre","Changes in molecular film metallicity with minor modifications of the constitutive quinonoid zwitterions","RSC Adv.","2017","7","35","21906","","10.1039/C7RA01597F","","","1.54178","CuKα","","0.0384","0.0372","","","0.0983","0.0999","","","","","","1.034","","","","has coordinates","195652","2020-10-21","18:00:00",""
"7228104","8.284","0.009","30.84","0.03","11.178","0.013","90","","98.85","0.03","90","","2822","5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 N2 O2 -","- C36 H34 N2 O2 -","- C144 H136 N8 O8 -","4","1","","Routaboul, Lucie; Tanabe, Iori; Santana, Juan Colon; Yuan, Minghui; Ghisolfi, Alessio; Garcia, William Serrano; Dowben, Peter A.; Doudin, Bernard; Braunstein, Pierre","Changes in molecular film metallicity with minor modifications of the constitutive quinonoid zwitterions","RSC Adv.","2017","7","35","21906","","10.1039/C7RA01597F","","","0.71073","MoKα","","0.2266","0.0996","","","0.2065","0.2609","","","","","","1.028","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228105","9.1007","0.0011","9.4113","0.0011","15.088","0.0018","97.591","0.003","90.128","0.003","116.126","0.002","1147.4","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 N2 O3 -","- C26 H32 N2 O3 -","- C52 H64 N4 O6 -","2","1","","Routaboul, Lucie; Tanabe, Iori; Santana, Juan Colon; Yuan, Minghui; Ghisolfi, Alessio; Garcia, William Serrano; Dowben, Peter A.; Doudin, Bernard; Braunstein, Pierre","Changes in molecular film metallicity with minor modifications of the constitutive quinonoid zwitterions","RSC Adv.","2017","7","35","21906","","10.1039/C7RA01597F","","","0.71073","MoKα","","0.144","0.0673","","","0.1538","0.1845","","","","","","1.02","","","","has coordinates,has disorder","301865","2025-08-22","16:17:13",""
"7228106","5.0542","0.0005","9.8327","0.0009","18.154","0.0017","97.826","0.002","91.725","0.002","96.982","0.002","886.16","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C44 H44 N4 O4 -","2","1","","Routaboul, Lucie; Tanabe, Iori; Santana, Juan Colon; Yuan, Minghui; Ghisolfi, Alessio; Garcia, William Serrano; Dowben, Peter A.; Doudin, Bernard; Braunstein, Pierre","Changes in molecular film metallicity with minor modifications of the constitutive quinonoid zwitterions","RSC Adv.","2017","7","35","21906","","10.1039/C7RA01597F","","","0.71073","MoKα","","0.1351","0.0727","","","0.162","0.1941","","","","","","1.022","","","","has coordinates,has disorder","301865","2025-08-22","16:17:13",""
"7228107","4.7968","0.0008","12.304","0.002","16.302","0.002","101.238","0.008","95.761","0.008","95.785","0.013","931.8","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C44 H44 N4 O4 -","2","1","","Routaboul, Lucie; Tanabe, Iori; Santana, Juan Colon; Yuan, Minghui; Ghisolfi, Alessio; Garcia, William Serrano; Dowben, Peter A.; Doudin, Bernard; Braunstein, Pierre","Changes in molecular film metallicity with minor modifications of the constitutive quinonoid zwitterions","RSC Adv.","2017","7","35","21906","","10.1039/C7RA01597F","","","1.54178","CuKα","","0.1349","0.1053","","","0.2521","0.2991","","","","","","1.202","","","","has coordinates","195652","2020-10-21","18:00:00",""
"7228108","12.523","0.0004","9.9321","0.0003","20.2298","0.0007","90","","111.348","0.002","90","","2343.53","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N2 O6 -","- C26 H30 N2 O6 -","- C104 H120 N8 O24 -","4","1","","Routaboul, Lucie; Tanabe, Iori; Santana, Juan Colon; Yuan, Minghui; Ghisolfi, Alessio; Garcia, William Serrano; Dowben, Peter A.; Doudin, Bernard; Braunstein, Pierre","Changes in molecular film metallicity with minor modifications of the constitutive quinonoid zwitterions","RSC Adv.","2017","7","35","21906","","10.1039/C7RA01597F","","","0.71073","MoKα","","0.074","0.053","","","0.1282","0.1418","","","","","","1.054","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228113","6.0056","0.0001","18.0532","0.0004","23.3138","0.0005","90","","90","","90","","2527.69","0.09","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C116 H176 O12 -","4","1","","Chen, Ming; Chen, Li-Feng; Li, Man-Mei; Li, Ni-Ping; Cao, Jia-Qing; Wang, Ying; Li, Yao-Lan; Wang, Lei; Ye, Wen-Cai","Myrtucomvalones A–C, three unusual triketone–sesquiterpene adducts from the leaves of Myrtus communis ‘Variegata’","RSC Adv.","2017","7","37","22735","","10.1039/C7RA02260C","","","1.54178","CuKα","","0.0327","0.0299","","","0.075","0.0779","","","","","","1.063","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228114","9.7468","0.0007","10.0413","0.0009","14.7257","0.0009","107.318","0.007","95.676","0.006","104.09","0.007","1311.43","0.19","100.01","0.1","100.01","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C58 H88 O6 -","2","1","","Chen, Ming; Chen, Li-Feng; Li, Man-Mei; Li, Ni-Ping; Cao, Jia-Qing; Wang, Ying; Li, Yao-Lan; Wang, Lei; Ye, Wen-Cai","Myrtucomvalones A–C, three unusual triketone–sesquiterpene adducts from the leaves of Myrtus communis ‘Variegata’","RSC Adv.","2017","7","37","22735","","10.1039/C7RA02260C","","x-ray","1.54184","CuKα","","0.0985","0.0774","","","0.2304","0.2426","","","","","","1.032","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228116","16.6693","0.0005","17.1718","0.0005","20.9256","0.0007","90","","102.355","0.003","90","","5851.1","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C94 H114 Eu4 N10 O42 Zn2 -","- C94 H114 Eu4 N10 O42 Zn2 -","- C188 H228 Eu8 N20 O84 Zn4 -","2","0.5","","Song, Xue-Qin; Liu, Pan-Pan; Wang, Cai-yun; Liu, Yuan-An; Liu, Wei-Sheng; Zhang, Mo","Three sandwich-type zinc(ii)‒lanthanide(iii) clusters: structures, luminescence and magnetic properties","RSC Adv.","2017","7","37","22692","","10.1039/C7RA01469D","","","0.71073","MoKα","","0.0916","0.0571","","","0.1419","0.1711","","","","","","1.06","","","","has coordinates","195801","2020-10-21","18:00:00",""
"7228117","15.4135","0.0011","17.2583","0.0014","20.5153","0.0016","76.986","0.001","83.237","0.002","66.613","0.001","4877.8","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H76 N13 O37 Yb3 Zn2 -","- C72 H76 N13 O37 Yb3 Zn2 -","- C144 H152 N26 O74 Yb6 Zn4 -","2","1","","Song, Xue-Qin; Liu, Pan-Pan; Wang, Cai-yun; Liu, Yuan-An; Liu, Wei-Sheng; Zhang, Mo","Three sandwich-type zinc(ii)–lanthanide(iii) clusters: structures, luminescence and magnetic properties","RSC Adv.","2017","7","37","22692","","10.1039/C7RA01469D","","","0.71073","MoKα","","0.1209","0.0586","","","0.1115","0.124","","","","","","0.981","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228118","15.6702","0.0012","17.519","0.0013","20.6367","0.0018","76.87","0.001","82.813","0.002","65.943","0.001","5034.6","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H76 Er3 N13 O37 Zn2 -","- C72 H76 Er3 N13 O37 Zn2 -","- C144 H152 Er6 N26 O74 Zn4 -","2","1","","Song, Xue-Qin; Liu, Pan-Pan; Wang, Cai-yun; Liu, Yuan-An; Liu, Wei-Sheng; Zhang, Mo","Three sandwich-type zinc(ii)–lanthanide(iii) clusters: structures, luminescence and magnetic properties","RSC Adv.","2017","7","37","22692","","10.1039/C7RA01469D","","","0.71073","MoKα","","0.1021","0.0543","","","0.0993","0.1072","","","","","","1.063","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228119","16.795","0.002","4.9853","0.0007","18.303","0.003","90","","108.387","0.014","90","","1454.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 O3 -","- C18 H14 N2 O3 -","- C72 H56 N8 O12 -","4","1","","Kumar, Vijay; Kumar, Pramod; Gupta, Rajeev","Fluorescent detection of multiple ions by two related chemosensors: structural elucidations and logic gate applications","RSC Adv.","2017","7","37","23127","","10.1039/C7RA01453H","","","0.71073","MoKα","","0.1605","0.0697","","","0.1292","0.1685","","","","","","0.984","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228120","16.2629","0.0005","10.0577","0.0003","23.5572","0.0006","90","","96.692","0.003","90","","3826.94","0.19","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H38 Cd N4 O8 S2 -","- C40 H38 Cd N4 O8 S2 -","- C160 H152 Cd4 N16 O32 S8 -","4","0.5","","Kumar, Vijay; Kumar, Pramod; Gupta, Rajeev","Fluorescent detection of multiple ions by two related chemosensors: structural elucidations and logic gate applications","RSC Adv.","2017","7","37","23127","","10.1039/C7RA01453H","","","0.71073","MoKα","","0.0783","0.0777","","","0.1853","0.1855","","","","","","1.29","","","","has coordinates,has disorder","195802","2020-10-21","18:00:00",""
"7228138","14.3285","0.0016","9.7542","0.0004","21.475","0.002","90","","136.08","0.02","90","","2081.9","0.8","142.95","0.1","142.95","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl3 N2 O4 -","- C20 H17 Cl3 N2 O4 -","- C80 H68 Cl12 N8 O16 -","4","1","","Xiong, Xinnuo; Du, Qiaohong; Zeng, Xia; He, Jiawei; Yang, Hongqin; Li, Hui","Solvates and polymorphs of rebamipide: preparation, characterization, and physicochemical analysis","RSC Adv.","2017","7","38","23279","","10.1039/C7RA02895D","","x-ray","0.71073","MoKα","","0.103","0.059","","","0.1612","0.1755","","","","","","0.912","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228139","8.9468","0.0009","28.971","0.003","9.8022","0.0011","90","","97.029","0.01","90","","2521.6","0.5","148","0.1","148","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Cl N2 O6 S2 -","- C23 H27 Cl N2 O6 S2 -","- C92 H108 Cl4 N8 O24 S8 -","4","1","","Xiong, Xinnuo; Du, Qiaohong; Zeng, Xia; He, Jiawei; Yang, Hongqin; Li, Hui","Solvates and polymorphs of rebamipide: preparation, characterization, and physicochemical analysis","RSC Adv.","2017","7","38","23279","","10.1039/C7RA02895D","","x-ray","0.71073","MoKα","","0.1231","0.0772","","","0.2009","0.221","","","","","","1.049","","","","has coordinates,has disorder","301865","2025-08-22","16:17:13",""
"7228140","7.8748","0.0005","10.405","0.0008","19.3554","0.0017","90","","90","","90","","1585.9","0.2","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H13 I3 N2 Pb -","- C8 H13 I3 N2 Pb -","- C32 H52 I12 N8 Pb4 -","4","0.5","","Duan, Hai-Bao; Yu, Shan-Shan; Liu, Shao-Xian; Zhang, Hui","A multi-functional iodoplumbate-based hybrid crystal: 1-propyl-4-aminopyridinium triiodoplumbate","RSC Adv.","2017","7","37","23234","","10.1039/C7RA03524A","","","0.71073","MoKα","","0.0949","0.0832","","","0.2296","0.246","","","","","","1.12","","","","has coordinates,has disorder","195843","2020-10-21","18:00:00",""
"7228141","7.8013","0.0011","10.2985","0.0015","19.117","0.003","90","","90","","90","","1535.9","0.4","120","2","120","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H13 I3 N2 Pb -","- C8 H13 I3 N2 Pb -","- C32 H52 I12 N8 Pb4 -","4","0.5","","Duan, Hai-Bao; Yu, Shan-Shan; Liu, Shao-Xian; Zhang, Hui","A multi-functional iodoplumbate-based hybrid crystal: 1-propyl-4-aminopyridinium triiodoplumbate","RSC Adv.","2017","7","37","23234","","10.1039/C7RA03524A","","","0.71073","MoKα","","0.0283","0.0231","","","0.0565","0.0584","","","","","","1.094","","","","has coordinates","195843","2020-10-21","18:00:00",""
"7228142","10.8971","0.0005","10.907","0.0006","13.6446","0.0004","78.06","0.004","77.934","0.003","79.38","0.004","1534.63","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 Cu2 N4 O8 -","- C32 H26 Cu2 N4 O8 -","- C64 H52 Cu4 N8 O16 -","2","1","","Shi, Lu-Lu; Zheng, Tian-Rui; Li, Min; Qian, Lin-Lu; Li, Bao-Long; Li, Hai-Yan","A series of five-coordinated copper coordination polymers for efficient degradation of organic dyes under visible light irradiation","RSC Adv.","2017","7","38","23432","","10.1039/C7RA03268D","","","0.71073","MoKα","","0.0564","0.0401","","","0.081","0.0902","","","","","","1.052","","","","has coordinates","195844","2020-10-21","18:00:00",""
"7228143","9.7731","0.0006","9.8545","0.0007","22.5635","0.0009","86.079","0.004","88.972","0.004","68.582","0.006","2018.2","0.2","253","2","253","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H39 Cu2 N8 O11 -","- C38 H34 Cu2 N8 O11 -","- C76 H68 Cu4 N16 O22 -","2","1","","Shi, Lu-Lu; Zheng, Tian-Rui; Li, Min; Qian, Lin-Lu; Li, Bao-Long; Li, Hai-Yan","A series of five-coordinated copper coordination polymers for efficient degradation of organic dyes under visible light irradiation","RSC Adv.","2017","7","38","23432","","10.1039/C7RA03268D","","","0.71073","MoKα","","0.0958","0.0735","","","0.1958","0.2084","","","","","","1.091","","","","has coordinates","195844","2020-10-21","18:00:00",""
"7228144","9.452","0.0006","12.2857","0.0008","13.6945","0.001","93.448","0.006","94.362","0.006","94.392","0.005","1577.52","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Cu2 N4 O8 -","- C34 H30 Cu2 N4 O8 -","- C68 H60 Cu4 N8 O16 -","2","1","","Shi, Lu-Lu; Zheng, Tian-Rui; Li, Min; Qian, Lin-Lu; Li, Bao-Long; Li, Hai-Yan","A series of five-coordinated copper coordination polymers for efficient degradation of organic dyes under visible light irradiation","RSC Adv.","2017","7","38","23432","","10.1039/C7RA03268D","","","0.71073","MoKα","","0.0604","0.0402","","","0.092","0.1008","","","","","","1.021","","","","has coordinates","195844","2020-10-21","18:00:00",""
"7228145","10.1526","0.0011","11.2399","0.0008","11.96","0.0013","88.231","0.007","88.555","0.009","82.101","0.007","1350.9","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H54 Cu4 N8 O19 -","- C50 H50 Cu4 N8 O19 -","- C50 H50 Cu4 N8 O19 -","1","0.5","","Shi, Lu-Lu; Zheng, Tian-Rui; Li, Min; Qian, Lin-Lu; Li, Bao-Long; Li, Hai-Yan","A series of five-coordinated copper coordination polymers for efficient degradation of organic dyes under visible light irradiation","RSC Adv.","2017","7","38","23432","","10.1039/C7RA03268D","","","0.71073","MoKα","","0.0959","0.0555","","","0.1218","0.1362","","","","","","1.004","","","","has coordinates","195844","2020-10-21","18:00:00",""
"7228146","10.262","0.0003","21.1852","0.0005","15.7859","0.0004","90","","97.52","0.003","90","","3402.38","0.16","223","0.1","223","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 Cu2 N4 O9 -","- C36 H32 Cu2 N4 O9 -","- C144 H128 Cu8 N16 O36 -","4","0.5","","Shi, Lu-Lu; Zheng, Tian-Rui; Li, Min; Qian, Lin-Lu; Li, Bao-Long; Li, Hai-Yan","A series of five-coordinated copper coordination polymers for efficient degradation of organic dyes under visible light irradiation","RSC Adv.","2017","7","38","23432","","10.1039/C7RA03268D","","","1.54184","CuKα","","0.0524","0.046","","","0.1238","0.1299","","","","","","1.044","","","","has coordinates,has disorder","195844","2020-10-21","18:00:00",""
"7228160","8.6865","0.0003","11.0532","0.0004","22.5491","0.0008","90","","95.493","0.003","90","","2155.08","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H15 F6 N -","- C25 H15 F6 N -","- C100 H60 F24 N4 -","4","1","","Jian, Lei; He, Hai-Yu; Huang, Jin; Wu, Qian-Hui; Yuan, Mao-Lin; Fu, Hai-Yan; Zheng, Xue-Li; Chen, Hua; Li, Rui-Xiang","Combination of RuCl3·xH2O with PEG – a simple and recyclable catalytic system for direct arylation of heteroarenes via C–H bond activation","RSC Adv.","2017","7","38","23515","","10.1039/C7RA02638B","","x-ray","1.54184","CuKα","","0.0696","0.0605","","","0.172","0.1835","","","","","","1.045","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228195","15.9289","0.0013","11.4741","0.0009","21.5944","0.0018","90","","102.398","0.002","90","","3854.8","0.5","298","2","298","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C37 H58 N Na O6 -","- C37 H58 N Na O6 -","- C148 H232 N4 Na4 O24 -","4","1","","Wu, Bing-Bing; Tian, Lu-Lu; Wang, Zhong-Xia","Ring-opening polymerization of rac-lactide catalyzed by crown ether complexes of sodium and potassium iminophenoxides","RSC Adv.","2017","7","39","24055","","10.1039/C7RA03394J","","","0.71073","MoKα","","0.1527","0.0492","","","0.0526","0.0597","","","","","","1.052","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228196","24.817","0.002","17.298","0.0015","17.5045","0.0016","90","","133.796","0.003","90","","5424","0.9","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H34 K N O7 -","- C25 H34 K N O7 -","- C200 H272 K8 N8 O56 -","8","1","","Wu, Bing-Bing; Tian, Lu-Lu; Wang, Zhong-Xia","Ring-opening polymerization of rac-lactide catalyzed by crown ether complexes of sodium and potassium iminophenoxides","RSC Adv.","2017","7","39","24055","","10.1039/C7RA03394J","","","0.71073","MoKα","","0.1586","0.0715","","","0.1323","0.1517","","","","","","1.011","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228197","6.1779","0.0012","18.26","0.004","18.962","0.004","77.28","0.03","84.37","0.03","81.29","0.03","2057.9","0.8","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","2,4,6-Tri-(4-tert-butylphenyl)-1,3,5-tri-(5-pyrimidyl)benzene","","- C48 H48 N6 -","- C48 H48 N6 -","- C96 H96 N12 -","2","1","","Wijesinghe, Lankani P.; Perera, Sarath D.; Larkin, Eugene; Ó Máille, Gearóid M.; Conway-Kenny, Robert; Lankage, Buddhie S.; Wang, Longsheng; Draper, Sylvia M.","[2 + 2 + 2] cyclotrimerisation as a convenient route to 6N-doped nanographenes: a synthetic introduction to hexaazasuperbenzenes","RSC Adv.","2017","7","39","24163","","10.1039/C7RA02648J","","","0.71073","MoKα","","0.089","0.0504","","","0.1182","0.1346","","","","","","1.005","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228198","8.0248","0.0007","12.175","0.0012","10.5501","0.0012","90","","100.48","0.009","90","","1013.57","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N O -","- C12 H11 N O2 -","- C48 H44 N4 O8 -","4","1","","Zhao, Hai-Yuan; Wang, Ying-chun; Cao, Xiao-Lin; Pang, Qiu-Fang; Wang, Heng-shan; Pan, Ying-ming","Synthesis of fused tricyclic indolizines by intramolecular silver-mediated double cyclization of 2-(pyridin-2-yl)acetic acid propargyl esters","RSC Adv.","2017","7","39","24011","","10.1039/C7RA00892A","","x-ray","0.71073","MoKα","","0.0516","0.0436","","","0.108","0.1156","","","","","","1.078","","","","has coordinates","196229","2020-10-21","18:00:00",""
"7228199","11.3346","0.0004","8.7794","0.0003","12.0991","0.0004","90","","106.683","0.004","90","","1153.31","0.07","260","2","260","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","N-methylpyrrolidinium hydrogen tartrate (NMPHT)","","","- C9 H17 N O6 -","- C9 H17 N O6 -","- C36 H68 N4 O24 -","4","1","","Zeb, Aurang; Khan, Tariq; Asghar, Muhammad Adnan; Sun, Zhihua; Wu, Zhenyue; Zhao, Sangen; Luo, Junhua","N-Methylpyrrolidinium hydrogen tartrate (NMPHT): an above-room-temperature order‒disorder molecular switchable dielectric material","RSC Adv.","2017","7","39","24368","","10.1039/C7RA00689F","","","1.54184","CuKα","","0.09","0.0802","","","0.229","0.2435","","","","","","1.073","","","","has coordinates","196231","2020-10-21","18:00:00",""
"7228200","11.7014","0.0005","8.7644","0.0003","12.0457","0.0003","90","","107.298","0.004","90","","1179.48","0.08","330","2","330","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","N-methylpyrrolidinium hydrogen tartrate (NMPHT)","","","- C9 H17 N O6 -","- C9 H17 N O6 -","- C36 H68 N4 O24 -","4","0.5","","Zeb, Aurang; Khan, Tariq; Asghar, Muhammad Adnan; Sun, Zhihua; Wu, Zhenyue; Zhao, Sangen; Luo, Junhua","N-Methylpyrrolidinium hydrogen tartrate (NMPHT): an above-room-temperature order‒disorder molecular switchable dielectric material","RSC Adv.","2017","7","39","24368","","10.1039/C7RA00689F","","","1.54184","CuKα","","0.0876","0.0764","","","0.2343","0.2587","","","","","","1.045","","","","has coordinates","196231","2020-10-21","18:00:00",""
"7228201","10.326","0.003","5.8596","0.0015","17.227","0.004","90","","97.085","0.004","90","","1034.4","0.5","215","2","215","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 O6 -","- C11 H14 O6 -","- C44 H56 O24 -","4","1","","Amarasekara, Ananda S.; Ha, Uyen; Fonari, Marina S.; Bejagam, Shabari Nath; Margetić, Davor","Sulfuric acid and Amberlyst-H+ catalyzed condensation reactions of renewable keto acids with paraformaldehyde: synthesis of a new dispiro bis-lactone ring system 2,9,13-trioxadispiro[4.1.4.3]tetradecane-3,6,10-trione","RSC Adv.","2017","7","39","23917","","10.1039/C7RA02303K","","","0.71073","MoKα","","0.0825","0.051","","","0.1095","0.1229","","","","","","1.045","","","","has coordinates,has disorder","301865","2025-08-22","16:17:13",""
"7228202","9.7305","0.0002","8.76406","0.00016","11.0765","0.0002","90","","109.45","0.002","90","","890.68","0.03","173","0.1","173","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","234","123","","- C22 H28 N2 O3 -","- C22 H26 N2 O3 -","- C44 H52 N4 O6 -","2","1","","Chen, Neng-Hua; Zhang, Yu-Bo; Li, Wen; Li, Pan; Chen, Li-Feng; Li, Yao-Lan; Li, Guo-Qiang; Wang, Guo-Cai","Grandiflodines A and B, two novel diterpenoid alkaloids from Delphinium grandiflorum","RSC Adv.","2017","7","39","24129","","10.1039/C7RA02869E","","x-ray","1.54184","CuKα","","0.03","0.0297","","","0.0837","0.084","","","","","","1.111","","","","has coordinates","196233","2020-10-21","18:00:00",""
"7228249","8.7343","0.0012","8.4099","0.0012","14.2737","0.0019","90","","106.437","0.004","90","","1005.6","0.2","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H27 N O3 P -","- C21 H27 N O3 P -","- C42 H54 N2 O6 P2 -","2","1","","Yang, Chu-Ting; Han, Jun; Liu, Jun; Li, Yi; Zhang, Fan; Gu, Mei; Hu, Sheng; Wang, Xiaolin","Stereocontrolled C(sp3)‒P bond formation with non-activated alkyl halides and tosylates","RSC Adv.","2017","7","40","24652","","10.1039/C7RA02766D","","","0.71073","MoKα","","0.0402","0.0312","","","0.0943","0.1159","","","","","","0.983","","","","has coordinates","196573","2020-10-21","18:00:00",""
"7228250","11.841","0.006","12.064","0.003","13.693","0.005","90","","90","","90","","1956","1.3","100.6","","100.6","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N3 O3 -","- C22 H29 N3 O3 -","- C88 H116 N12 O12 -","4","1","","Wu, Chang-Jing; Li, Chang-Wei; Gao, Hao; Huang, Xiao-Jun; Cui, Cheng-Bin","Penicimutamides D–E: two new prenylated indole alkaloids from a mutant of the marine-derived Penicillium purpurogenum G59","RSC Adv.","2017","7","40","24718","","10.1039/C7RA02446K","","","1.5418","CuKα","","0.0434","0.041","","","0.1039","0.1065","","","","","","1.036","","","","has coordinates","301865","2025-08-22","16:17:13",""
"7228279","17.9459","0.0005","27.5058","0.0006","26.723","0.0007","90","","126.788","0.012","90","","10564","1.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C110 H107 N5 Na2 Ni6 O24 -","- C110 H107 N5 Na2 Ni6 O24 -","- C440 H428 N20 Na8 Ni24 O96 -","4","1","","Machata, Marek; Nemec, Ivan; Herchel, Radovan; Trávníček, Zdeněk","An octanuclear Schiff-base complex with a Na2Ni6 core: structure, magnetism and DFT calculations","RSC Adv.","2017","7","42","25821","","10.1039/C7RA01374D","","","0.71073","MoKα","","0.1244","0.0622","","","0.1629","0.1802","","","","","","0.935","","","","has coordinates,has disorder","301865","2025-08-22","16:17:14",""
"7228280","15.957","0.003","15.12","0.002","12.362","0.002","90","","122.314","0.002","90","","2520.7","0.7","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H13 Cl N4 Pt S -","- C10 H13 Cl N4 Pt S -","- C80 H104 Cl8 N32 Pt8 S8 -","8","1","","Lin, Xu-Dong; Liu, Ya-Hong; Xie, Cheng-Zhi; Bao, Wei-Guo; Shen, Jun; Xu, Jing-Yuan","Three Pt(ii) complexes based on thiosemicarbazone: synthesis, HSA interaction, cytotoxicity, apoptosis and cell cycle arrest","RSC Adv.","2017","7","42","26478","","10.1039/C7RA04443G","","","0.71073","MoKα","","0.0206","0.0154","","","0.0289","0.0302","","","","","","0.979","","","","has coordinates","196754","2020-10-21","18:00:00",""
"7228281","7.4429","0.0007","13.5839","0.0013","10.5375","0.001","90","","95.673","0.002","90","","1060.16","0.17","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 Cl N4 Pt S -","- C8 H9 Cl N4 Pt S -","- C32 H36 Cl4 N16 Pt4 S4 -","4","1","","Lin, Xu-Dong; Liu, Ya-Hong; Xie, Cheng-Zhi; Bao, Wei-Guo; Shen, Jun; Xu, Jing-Yuan","Three Pt(ii) complexes based on thiosemicarbazone: synthesis, HSA interaction, cytotoxicity, apoptosis and cell cycle arrest","RSC Adv.","2017","7","42","26478","","10.1039/C7RA04443G","","","0.71073","MoKα","","0.0174","0.0161","","","0.0379","0.0384","","","","","","0.784","","","","has coordinates","196754","2020-10-21","18:00:00",""
"7228282","8.101","0.002","9.3191","0.0019","14.094","0.003","92.227","0.001","99.051","0.008","104.437","0.008","1014.2","0.4","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H19 Cl N10 O Pt S2 -","- C14 H19 Cl N10 O Pt S2 -","- C28 H38 Cl2 N20 O2 Pt2 S4 -","2","1","","Lin, Xu-Dong; Liu, Ya-Hong; Xie, Cheng-Zhi; Bao, Wei-Guo; Shen, Jun; Xu, Jing-Yuan","Three Pt(ii) complexes based on thiosemicarbazone: synthesis, HSA interaction, cytotoxicity, apoptosis and cell cycle arrest","RSC Adv.","2017","7","42","26478","","10.1039/C7RA04443G","","","0.71073","MoKα","","0.0216","0.0202","","","0.0501","0.0504","","","","","","0.891","","","","has coordinates","196754","2020-10-21","18:00:00",""
"7228283","10.187","0.003","10.918","0.003","20.739","0.005","82.052","0.004","89.7","0.005","88.467","0.005","2283.6","1.1","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 Cu2 Mo5 N8 O32 P2 -","- C24 H34 Cu2 Mo5 N8 O32 P2 -","- C48 H68 Cu4 Mo10 N16 O64 P4 -","2","1","","Fang, Ning; Ji, Yu-Mei; Li, Chun-Yan; Wu, Yuan-Yuan; Ma, Chen-Guang; Liu, Hong-Ling; Li, Ming-Xue","Synthesis and adsorption properties of [Cu(L)2(H2O)]H2[Cu(L)2(P2Mo5O23)]·4H2O/Fe3O4 nanocomposites","RSC Adv.","2017","7","41","25325","","10.1039/C7RA02133J","","","0.71073","MoKα","","0.0818","0.0551","","","0.1396","0.1601","","","","","","0.999","","","","has coordinates","196755","2020-10-21","18:00:00",""
"7228284","9.2686","0.0002","17.7615","0.0003","8.3998","0.0001","90","","96.374","0.001","90","","1374.26","0.04","90","0.2","90","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O5 -","- C16 H16 O5 -","- C64 H64 O20 -","4","1","","Jennings, John A.; Parkin, Sean; Munson, Eric; Delaney, Sean P.; Calahan, Julie L.; Isaacs, Mark; Hong, Kunlun; Crocker, Mark","Regioselective Baeyer–Villiger oxidation of lignin model compounds with tin beta zeolite catalyst and hydrogen peroxide","RSC Adv.","2017","7","42","25987","","10.1039/C7RA03830E","","","1.54178","CuKα","","0.0385","0.0362","","","0.0962","0.0984","","","","","","1.041","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228285","5.8859","0.0005","12.7775","0.001","19.1219","0.0014","87.423","0.004","89.813","0.005","77.523","0.005","1402.69","0.19","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H16 O5 -","- C16 H16 O5 -","- C64 H64 O20 -","4","2","","Jennings, John A.; Parkin, Sean; Munson, Eric; Delaney, Sean P.; Calahan, Julie L.; Isaacs, Mark; Hong, Kunlun; Crocker, Mark","Regioselective Baeyer–Villiger oxidation of lignin model compounds with tin beta zeolite catalyst and hydrogen peroxide","RSC Adv.","2017","7","42","25987","","10.1039/C7RA03830E","","","1.54178","CuKα","","0.0835","0.0684","","","0.2084","0.2283","","","","","","1.104","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228304","13.1762","0.0012","12.932","0.0011","23.471","0.002","90","","96.317","0.001","90","","3975","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C47 H49 Al N2 O -","- C47 H49 Al N2 O -","- C188 H196 Al4 N8 O4 -","4","1","","Zheng, Xiang-Xin; Wang, Zhong-Xia","Synthesis of aluminum complexes supported by 2-(1,10-phenanthrolin-2-yl)phenolate ligands and their catalysis in the ring-opening polymerization of cyclic esters","RSC Adv.","2017","7","44","27177","","10.1039/C7RA03831C","","","0.71073","MoKα","","0.1763","0.0596","","","0.0853","0.098","","","","","","1.019","","","","has coordinates,has disorder","196938","2020-10-21","18:00:00",""
"7228305","8.2108","0.0018","27.415","0.006","14.553","0.003","90","","100.989","0.003","90","","3215.8","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3k","Tetraethyl?2,2'-(2-(4-(4-methoxyphenyl)quinazolin-2-yl)-1,3-phenylene)dimalonate","","- C35 H36 N2 O9 -","- C35 H36 N2 O9 -","- C140 H144 N8 O36 -","4","1","","Zhang, Zhipeng; Jiang, Xin; Deng, Zhihong; Wang, Heng; Huang, Jian; Peng, Yiyuan","Rhodium-catalyzed malonation of 2-arylquinazolines with 2-diazomalonates: double C–H functionalization","RSC Adv.","2017","7","44","27603","","10.1039/C7RA01131H","","","0.71073","MoKα","","0.1227","0.0531","","","0.1207","0.1513","","","","","","1.001","","","","has coordinates,has disorder","301865","2025-08-22","16:17:14",""
"7228306","8.2171","0.0007","23.4947","0.0019","16.1341","0.0013","90","","90.979","0.001","90","","3114.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3a","Tetraethyl 2,2'-(2-(4-phenylquinazolin-2-yl)-1,3-phenylene)dimalonate","","- C34 H34 N2 O8 -","- C34 H34 N2 O8 -","- C136 H136 N8 O32 -","4","1","","Zhang, Zhipeng; Jiang, Xin; Deng, Zhihong; Wang, Heng; Huang, Jian; Peng, Yiyuan","Rhodium-catalyzed malonation of 2-arylquinazolines with 2-diazomalonates: double C–H functionalization","RSC Adv.","2017","7","44","27603","","10.1039/C7RA01131H","","","0.71073","MoKα","","0.0701","0.0466","","","0.1188","0.1361","","","","","","1.002","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228311","8.481","0.005","16.522","0.006","8.732","0.005","90","","104.838","0.005","90","","1182.8","1.1","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H7 Cl5 O -","- C9 H7 Cl5 O -","- C36 H28 Cl20 O4 -","4","1","","Singh, Swatantra P.; Bose, Purnendu","Reductive dechlorination of endosulfan isomers and its metabolites by zero-valent metals: reaction mechanism and degradation products","RSC Adv.","2017","7","44","27668","","10.1039/C7RA02430D","","","0.71073","MoKα","","0.1716","0.0723","","","0.1235","0.1566","","","","","","1.0681","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228333","5.3385","0.0002","8.1763","0.0003","6.3716","0.0002","90","","90","","90","","278.115","0.017","298","","298","","","","","","","","","4","C m c m","-C 2c 2","63","lithium cobalt phosphate","","","- Co0.96 Li0.39 O4 P -","- Co0.964 Li0.39 O4 P -","- Co3.856 Li1.56 O16 P4 -","4","0.25","","Ludwig, Jennifer; Alarcón-Suesca, Carlos; Geprägs, Stephan; Nordlund, Dennis; Doeff, Marca M.; Orench, Inés Puente; Nilges, Tom","Direct synthesis and characterization of mixed-valent Li0.5−δCoPO4, a Li-deficient derivative of the Cmcm polymorph of LiCoPO4","RSC Adv.","2017","7","45","28069","","10.1039/C7RA04043A","powder diffraction","x-ray","0.7093","MoKα1","","0.0143","0.0143","","0.0172","0.0172","","","","1.23","","","","","","","has coordinates","197019","2020-10-21","18:00:00",""
"7228334","5.4432","0.0003","8.1695","0.0004","6.2128","0.0003","90","","90","","90","","276.27","0.02","298","","298","","","","","","","","","4","C m c m","-C 2c 2","63","lithium cobalt phosphate","","","- Co0.96 Li0.94 O4 P -","- Co0.955 Li0.94 O4 P -","- Co3.82 Li3.76 O16 P4 -","4","0.25","","Ludwig, Jennifer; Alarcón-Suesca, Carlos; Geprägs, Stephan; Nordlund, Dennis; Doeff, Marca M.; Orench, Inés Puente; Nilges, Tom","Direct synthesis and characterization of mixed-valent Li0.5−δCoPO4, a Li-deficient derivative of the Cmcm polymorph of LiCoPO4","RSC Adv.","2017","7","45","28069","","10.1039/C7RA04043A","powder diffraction","x-ray","0.7093","MoKα1","","0.0106","0.0106","","0.0121","0.0121","","","","1.01","","","","","","","has coordinates","197019","2020-10-21","18:00:00",""
"7228335","16.931","0.002","23.782","0.003","21.09","0.003","90","","98.98","0.003","90","","8387.9","1.9","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C81 H136 La Li N2 O6 Si2 -","- C77 H128 La1.0046 Li N2 O5 Si2 -","- C308 H512 La4.0184 Li4 N8 O20 Si8 -","4","1","","Motolko, Kelly S. A.; Emslie, David J. H.; Britten, James F.","Rigid NON-donor pincer ligand complexes of lutetium and lanthanum: synthesis and hydroamination catalysis","RSC Adv.","2017","7","45","27938","","10.1039/C7RA04432A","","","0.71073","MoKα","","0.1057","0.084","","","0.2367","0.257","","","","","","1.108","","","","has coordinates,has disorder","197020","2020-10-21","18:00:00",""
"7228336","22.663","0.0005","14.5298","0.0003","20.3925","0.0004","90","","113.688","0.0011","90","","6149.3","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C256 H384 Lu4 N8 O8 Si4 -","- C256 H384 Lu4 N8 O8 Si4 -","- C256 H384 Lu4 N8 O8 Si4 -","1","0.25","","Motolko, Kelly S. A.; Emslie, David J. H.; Britten, James F.","Rigid NON-donor pincer ligand complexes of lutetium and lanthanum: synthesis and hydroamination catalysis","RSC Adv.","2017","7","45","27938","","10.1039/C7RA04432A","","","0.71073","MoKα","","0.0405","0.0286","","","0.0652","0.0704","","","","","","1.071","","","","has coordinates,has disorder","301865","2025-08-22","16:17:14",""
"7228337","9.316","0.003","8.996","0.002","9.458","0.004","90","","104.88","0.04","90","","766.1","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C32 H38 N2 O8 -","2","1","","Guo, Yong; Yang, Ruige; Xu, Hui","Semisynthesis of esters and oxime esters/sulfonates from furyl-ring-based acetylation derivatives of fraxinellone as insecticidal agents","RSC Adv.","2017","7","45","28009","","10.1039/C7RA03588H","","","0.7107","MoKα","","0.0566","0.0462","","","0.1182","0.1302","","","","","","1.08","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228338","10.472","0.0007","17.0011","0.0011","17.1489","0.0008","90","","90","","90","","3053.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C128 H152 N8 O32 -","8","2","","Guo, Yong; Yang, Ruige; Xu, Hui","Semisynthesis of esters and oxime esters/sulfonates from furyl-ring-based acetylation derivatives of fraxinellone as insecticidal agents","RSC Adv.","2017","7","45","28009","","10.1039/C7RA03588H","","","0.7107","MoKα","","0.1362","0.0684","","","0.1173","0.1568","","","","","","1.073","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228339","5.7078","0.0004","17.242","0.0012","21.441","0.003","90","","90","","90","","2110.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 F N O5 -","- C23 H22 F N O5 -","- C92 H88 F4 N4 O20 -","4","1","","Guo, Yong; Yang, Ruige; Xu, Hui","Semisynthesis of esters and oxime esters/sulfonates from furyl-ring-based acetylation derivatives of fraxinellone as insecticidal agents","RSC Adv.","2017","7","45","28009","","10.1039/C7RA03588H","","","0.71","MoKα","","0.1856","0.0739","","","0.1471","0.2147","","","","","","1.046","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228340","12.0929","0.0008","7.6383","0.0006","16.1738","0.0011","90","","93.513","0.006","90","","1491.15","0.18","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","2","","Guo, Yong; Yang, Ruige; Xu, Hui","Semisynthesis of esters and oxime esters/sulfonates from furyl-ring-based acetylation derivatives of fraxinellone as insecticidal agents","RSC Adv.","2017","7","45","28009","","10.1039/C7RA03588H","","","0.7107","MoKα","","0.1473","0.0781","","","0.1765","0.2357","","","","","","1.028","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228341","8.2307","0.0005","23.9115","0.0014","11.3903","0.001","90","","107.192","0.007","90","","2141.5","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N O5 -","- C24 H25 N O5 -","- C96 H100 N4 O20 -","4","2","","Guo, Yong; Yang, Ruige; Xu, Hui","Semisynthesis of esters and oxime esters/sulfonates from furyl-ring-based acetylation derivatives of fraxinellone as insecticidal agents","RSC Adv.","2017","7","45","28009","","10.1039/C7RA03588H","","","0.7107","MoKα","","0.0977","0.0618","","","0.153","0.1856","","","","","","0.964","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228346","11.4773","0.0005","14.9989","0.0004","21.0082","0.0007","90","","123.022","0.002","90","","3032.3","0.2","115","2","115","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H53 N11 O -","- C27 H53 N11 O -","- C108 H212 N44 O4 -","4","1","","Sok, Nicolas; Baglin, Isabelle; Basset, Christelle; Fakkor, Fatima; Kohli, Evelyne; Rousselin, Yoann; Bernhard, Claire; Boschetti, Frédéric; Goze, Christine; Denat, Franck","Straightforward synthesis of bis-tetraazacycloalkanes: towards new potential CXCR4 antagonists?","RSC Adv.","2017","7","45","28291","","10.1039/C7RA04218C","","x-ray","0.71073","MoKα","","0.1071","0.0828","","","0.1885","0.2062","","","","","","1.047","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228347","13.2517","0.0005","12.3383","0.0004","12.0306","0.0004","90","","114.684","0.001","90","","1787.31","0.11","115","2","115","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 N5 O -","- C18 H27 N5 O -","- C72 H108 N20 O4 -","4","1","","Sok, Nicolas; Baglin, Isabelle; Basset, Christelle; Fakkor, Fatima; Kohli, Evelyne; Rousselin, Yoann; Bernhard, Claire; Boschetti, Frédéric; Goze, Christine; Denat, Franck","Straightforward synthesis of bis-tetraazacycloalkanes: towards new potential CXCR4 antagonists?","RSC Adv.","2017","7","45","28291","","10.1039/C7RA04218C","","x-ray","0.71073","MoKα","","0.1066","0.0507","","","0.1009","0.118","","","","","","1.022","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228348","11.4792","0.0003","15.0992","0.0004","17.6024","0.0004","90","","90.372","0.001","90","","3050.9","0.13","115","2","115","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H54 N10 O -","- C28 H54 N10 O -","- C112 H216 N40 O4 -","4","1","","Sok, Nicolas; Baglin, Isabelle; Basset, Christelle; Fakkor, Fatima; Kohli, Evelyne; Rousselin, Yoann; Bernhard, Claire; Boschetti, Frédéric; Goze, Christine; Denat, Franck","Straightforward synthesis of bis-tetraazacycloalkanes: towards new potential CXCR4 antagonists?","RSC Adv.","2017","7","45","28291","","10.1039/C7RA04218C","","x-ray","0.71073","MoKα","","0.1043","0.0713","","","0.1799","0.1991","","","","","","1.028","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228349","8.1315","0.0006","12.4851","0.0008","14.5014","0.0007","105.748","0.005","105.605","0.006","99.832","0.006","1316.7","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","7-(4-Chlorophenyl)-3-iodo-2-methylpyrazolo[1,5-a]pyrimidine","","- C13 H9 Cl I N3 -","- C13 H9 Cl I N3 -","- C52 H36 Cl4 I4 N12 -","4","2","","Castillo, Juan-Carlos; Rosero, Hernán-Alejandro; Portilla, Jaime","Simple access toward 3-halo- and 3-nitro-pyrazolo[1,5-a]pyrimidines through a one-pot sequence","RSC Adv.","2017","7","45","28483","","10.1039/C7RA04336H","","","0.71073","MoKα","","0.0589","0.0368","","","0.0883","0.1068","","","","","","1.09","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228350","14.6829","0.0003","14.6829","0.0003","57.9972","0.0011","90","","90","","120","","10828.3","0.4","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","1,3,5-tris(2-(tert-Butyl)pyrazolo[1,5-a]pyrimidin-7-yl)benzene","","- C150 H162 N36 -","- C150 H162 N36 -","- C450 H486 N108 -","3","0.166667","","Castillo, Juan-Carlos; Rosero, Hernán-Alejandro; Portilla, Jaime","Simple access toward 3-halo- and 3-nitro-pyrazolo[1,5-a]pyrimidines through a one-pot sequence","RSC Adv.","2017","7","45","28483","","10.1039/C7RA04336H","","","0.7107","MoKα","","0.0727","0.0672","","","0.2033","0.2055","","","","","","1.19","","","","has coordinates","197130","2020-10-21","18:00:00",""
"7228351","13.565","0.0005","15.697","0.0006","15.8108","0.0006","111.329","0.002","98.629","0.002","114.913","0.002","2654.6","0.2","173","2","173","","","","","","","","","8","P -1","-P 1","2","","","","- C98 H118 Au2 Cl12 Cu6 F6 P S -","- C98 H118 Au2 Cl4 Cu6 F6 P2 S6 -","- C98 H118 Au2 Cl4 Cu6 F6 P2 S6 -","1","0.5","","Kang, Xi; Li, Xiaowu; Yu, Haizhu; Lv, Ying; Sun, Guodong; Li, Yangfeng; Wang, Shuxin; Zhu, Manzhou","Modulating photo-luminescence of Au2Cu6 nanoclusters via ligand-engineering","RSC Adv.","2017","7","46","28606","","10.1039/C7RA04743F","","","1.54178","CuKα","","0.08","0.067","","","0.1805","0.1928","","","","","","1.057","","","","has coordinates","197131","2020-10-21","18:00:00",""
"7228352","20.9938","0.0007","20.9938","0.0007","18.1449","0.0007","90","","90","","120","","6925.8","0.4","173","2","173","","","","","","","","","6","R -3","-R 3","148","","","","- C96 H120 Au2 Cu6 P2 S6 -","- C96 H120 Au2 Cu6 P2 S6 -","- C288 H360 Au6 Cu18 P6 S18 -","3","","","Kang, Xi; Li, Xiaowu; Yu, Haizhu; Lv, Ying; Sun, Guodong; Li, Yangfeng; Wang, Shuxin; Zhu, Manzhou","Modulating photo-luminescence of Au2Cu6 nanoclusters via ligand-engineering","RSC Adv.","2017","7","46","28606","","10.1039/C7RA04743F","","","1.54178","CuKα","","0.056","0.0473","","","0.1464","0.155","","","","","","0.916","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228353","12.5635","0.0008","12.9279","0.0009","13.137","0.0009","61.859","0.001","63.642","0.001","61.223","0.001","1582.83","0.19","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H72 N4 Na8 Nb10 Ni3 O60 -","- C4 H16 N4 Na8 Nb10 Ni3 O60 -","- C4 H16 N4 Na8 Nb10 Ni3 O60 -","1","0.5","","Li, Li; Niu, Yanjun; Dong, Kaili; Ma, Pengtao; Zhang, Chao; Niu, Jingyang; Wang, Jingping","A Ni-containing decaniobate incorporating organic ligands: synthesis, structure, and catalysis for allylic alcohol epoxidation","RSC Adv.","2017","7","46","28696","","10.1039/C7RA03254D","","","0.71073","MoKα","","0.0545","0.0411","","","0.0992","0.1077","","","","","","1.021","","","","has coordinates","197132","2020-10-21","18:00:00",""
"7228395","5.8418","0.0013","18.7","0.004","8.993","0.0015","90","","92.986","0.018","90","","981.1","0.3","296.71","0.1","296.71","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H30 O6 -","- C19 H30 O6 -","- C38 H60 O12 -","2","1","","Xiao, Jian; Lin, Libin; Hu, Jiayao; Jiao, Furong; Duan, Dongzhu; Zhang, Qiang; Tang, Haoyu; Gao, Jinming; Wang, Le; Wang, Xiaoling","Highly oxygenated caryophyllene-type and drimane-type sesquiterpenes from Pestalotiopsis adusta, an endophytic fungus of Sinopodophyllum hexandrum","RSC Adv.","2017","7","46","29071","","10.1039/C7RA04267A","","x-ray","0.71073","MoKα","","0.118","0.0743","","","0.1708","0.2249","","","","","","1.075","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228396","8.1708","0.0004","18.5668","0.0008","11.4565","0.0006","90","","96.846","0.004","90","","1725.62","0.15","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H26 O5 -","- C18 H26 O5 -","- C72 H104 O20 -","4","2","","Xiao, Jian; Lin, Libin; Hu, Jiayao; Jiao, Furong; Duan, Dongzhu; Zhang, Qiang; Tang, Haoyu; Gao, Jinming; Wang, Le; Wang, Xiaoling","Highly oxygenated caryophyllene-type and drimane-type sesquiterpenes from Pestalotiopsis adusta, an endophytic fungus of Sinopodophyllum hexandrum","RSC Adv.","2017","7","46","29071","","10.1039/C7RA04267A","","x-ray","1.54184","CuKα","","0.1279","0.0714","","","0.1655","0.221","","","","","","1.047","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228406","10.184","0.002","10.71","0.002","11.083","0.002","104.7","0.03","103.61","0.03","102.46","0.03","1086.5","0.5","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 N O5 S2 -","- C23 H24 N O5 S2 -","- C46 H48 N2 O10 S4 -","2","1","","Liu, Honglei; Zhao, Yan; Li, Zhen; Jia, Hao; Zhang, Cheng; Xiao, Yumei; Guo, Hongchao","Lewis base-catalyzed diastereoselective [3 + 2] cycloaddition reaction of nitrones with electron-deficient alkenes: an access to isoxazolidine derivatives","RSC Adv.","2017","7","47","29515","","10.1039/C7RA04264G","","","0.71073","MoKα","","0.0397","0.0373","","","0.0912","0.0928","","","","","","1.101","","","","has coordinates","197597","2020-10-21","18:00:00",""
"7228407","6.4188","0.0019","6.4188","0.0019","16.083","0.01","90","","90","","120","","573.9","0.4","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- Ba Cu2 Se4 Si -","- Ba Cu2 Se4 Si -","- Ba3 Cu6 Se12 Si3 -","3","0.5","","Nian, Leyan; Huang, Junben; Wu, Kui; Su, Zhi; Yang, Zhihua; Pan, Shilie","BaCu2MIVQ4 (MIV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations","RSC Adv.","2017","7","47","29378","","10.1039/C7RA05022D","","","0.71073","MoKα","","0.031","0.0264","","","0.0437","0.0449","","","","","","1.008","","","","has coordinates","197598","2020-10-21","18:00:00",""
"7228408","11.101","0.01","11.189","0.01","6.728","0.006","90","","90","","90","","835.7","1.3","293","2","293","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- Ba Cu2 Se4 Sn -","- Ba Cu2 Se4 Sn -","- Ba4 Cu8 Se16 Sn4 -","4","0.5","","Nian, Leyan; Huang, Junben; Wu, Kui; Su, Zhi; Yang, Zhihua; Pan, Shilie","BaCu2MIVQ4 (MIV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations","RSC Adv.","2017","7","47","29378","","10.1039/C7RA05022D","","","0.71073","MoKα","","0.0265","0.0251","","","0.0527","0.0532","","","","","","1.018","","","","has coordinates","197598","2020-10-21","18:00:00",""
"7228409","6.353","0.003","6.353","0.003","15.788","0.014","90","","90","","120","","551.8","0.6","293","2","293","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- Ba Cu2 S4 Sn -","- Ba Cu2 S4 Sn -","- Ba3 Cu6 S12 Sn3 -","3","0.5","","Nian, Leyan; Huang, Junben; Wu, Kui; Su, Zhi; Yang, Zhihua; Pan, Shilie","BaCu2MIVQ4 (MIV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations","RSC Adv.","2017","7","47","29378","","10.1039/C7RA05022D","","","0.71073","MoKα","","0.0316","0.0258","","","0.0569","0.0595","","","","","","1.07","","","","has coordinates","197598","2020-10-21","18:00:00",""
"7228410","6.2092","0.0008","6.2092","0.0008","15.52","0.004","90","","90","","120","","518.2","0.16","293","2","293","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- Ba Cu2 Ge S4 -","- Ba Cu2 Ge S4 -","- Ba3 Cu6 Ge3 S12 -","3","0.5","","Nian, Leyan; Huang, Junben; Wu, Kui; Su, Zhi; Yang, Zhihua; Pan, Shilie","BaCu2MIVQ4 (MIV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations","RSC Adv.","2017","7","47","29378","","10.1039/C7RA05022D","","","0.71073","MoKα","","0.0214","0.0185","","","0.0366","0.0373","","","","","","1.031","","","","has coordinates","197598","2020-10-21","18:00:00",""
"7228411","6.5014","0.0006","6.5014","0.0006","16.266","0.003","90","","90","","120","","595.42","0.13","293","2","293","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- Ba Cu2 Ge Se4 -","- Ba Cu2 Ge Se4 -","- Ba3 Cu6 Ge3 Se12 -","3","0.5","","Nian, Leyan; Huang, Junben; Wu, Kui; Su, Zhi; Yang, Zhihua; Pan, Shilie","BaCu2MIVQ4 (MIV = Si, Ge, and Sn; Q = S, Se): synthesis, crystal structures, optical performances and theoretical calculations","RSC Adv.","2017","7","47","29378","","10.1039/C7RA05022D","","","0.71073","MoKα","","0.0287","0.0281","","","0.0659","0.0663","","","","","","1.054","","","","has coordinates","197598","2020-10-21","18:00:00",""
"7228412","13.3885","0.0003","66.3135","0.0018","5.5816","0.0002","90","","90","","90","","4955.6","0.2","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C17 H14 O2 -","- C17 H14 O2 -","- C272 H224 O32 -","16","1","","Chan, Chieh-Kai; Wang, Heui-Sin; Tsai, Yu-Lin; Chang, Meng-Yang","Metal triflate promoted synthesis of naphthalenes","RSC Adv.","2017","7","47","29321","","10.1039/C7RA04960A","","","0.71073","MoKα","","0.0428","0.0325","","","0.0807","0.1154","","","","","","1.168","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228413","6.6111","0.0003","9.883","0.0005","14.47","0.0008","106.574","0.002","94.682","0.002","104.105","0.002","867.14","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H20 O2 -","- C24 H20 O2 -","- C48 H40 O4 -","2","1","","Chan, Chieh-Kai; Wang, Heui-Sin; Tsai, Yu-Lin; Chang, Meng-Yang","Metal triflate promoted synthesis of naphthalenes","RSC Adv.","2017","7","47","29321","","10.1039/C7RA04960A","","","0.71073","MoKα","","0.046","0.0386","","","0.1084","0.1231","","","","","","1.072","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228414","6.7021","0.0011","7.9371","0.0012","12.17","0.002","85.327","0.006","80.53","0.006","82.517","0.006","631.93","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 F O2 -","- C17 H13 F O2 -","- C34 H26 F2 O4 -","2","1","","Chan, Chieh-Kai; Wang, Heui-Sin; Tsai, Yu-Lin; Chang, Meng-Yang","Metal triflate promoted synthesis of naphthalenes","RSC Adv.","2017","7","47","29321","","10.1039/C7RA04960A","","","0.71073","MoKα","","0.0431","0.0343","","","0.0907","0.1097","","","","","","1.089","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228415","13.345","0.0012","15.2538","0.0014","7.5723","0.0007","90","","99.819","0.002","90","","1518.9","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","","Chan, Chieh-Kai; Wang, Heui-Sin; Tsai, Yu-Lin; Chang, Meng-Yang","Metal triflate promoted synthesis of naphthalenes","RSC Adv.","2017","7","47","29321","","10.1039/C7RA04960A","","","0.71073","MoKα","","0.1172","0.0504","","","0.1026","0.1285","","","","","","0.996","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228416","7.654","0.004","13.82","0.008","13.657","0.008","90","","98.379","0.009","90","","1429.2","1.4","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Chan, Chieh-Kai; Wang, Heui-Sin; Tsai, Yu-Lin; Chang, Meng-Yang","Metal triflate promoted synthesis of naphthalenes","RSC Adv.","2017","7","47","29321","","10.1039/C7RA04960A","","","0.71073","MoKα","","0.0711","0.0475","","","0.1271","0.1581","","","","","","1.049","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228417","8.6905","0.0003","21.925","0.0007","8.2652","0.0003","90","","108.326","0.001","90","","1494.97","0.09","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","","Chan, Chieh-Kai; Wang, Heui-Sin; Tsai, Yu-Lin; Chang, Meng-Yang","Metal triflate promoted synthesis of naphthalenes","RSC Adv.","2017","7","47","29321","","10.1039/C7RA04960A","","","0.71073","MoKα","","0.0291","0.0277","","","0.0732","0.0743","","","","","","1.052","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228435","10.95","0.004","14.31","0.005","22.145","0.007","106.075","0.004","93.766","0.004","98.308","0.004","3279","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C71 H82 Lu N7 S2 -","- C71 H82 Lu N7 S2 -","- C142 H164 Lu2 N14 S4 -","2","1","","Kong, Feng; Li, Meng; Zhou, Xigeng; Zhang, Lixin","Synthesis, structure and reactivity of guanidinate rare earth metal bis(o-aminobenzyl) complexes","RSC Adv.","2017","7","47","29752","","10.1039/C7RA04524G","","","0.71073","MoKα","","0.053","0.0405","","","0.1294","0.1465","","","","","","1.044","","","","has coordinates","197643","2020-10-21","18:00:00",""
"7228436","13.052","0.003","16.105","0.003","16.969","0.006","103.98","0.003","104.552","0.003","112.507","0.002","2953.2","1.4","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H72 Dy N5 O4 -","- C59 H72 Dy N5 O4 -","- C118 H144 Dy2 N10 O8 -","2","1","","Kong, Feng; Li, Meng; Zhou, Xigeng; Zhang, Lixin","Synthesis, structure and reactivity of guanidinate rare earth metal bis(o-aminobenzyl) complexes","RSC Adv.","2017","7","47","29752","","10.1039/C7RA04524G","","","0.71073","MoKα","","0.0454","0.0349","","","0.0916","0.094","","","","","","0.983","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228437","15.488","0.002","23.909","0.003","31.418","0.004","90","","98.781","0.002","90","","11498","3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C114 H144 N10 S4 Y2 -","- C114 H144 N10 S4 Y2 -","- C456 H576 N40 S16 Y8 -","4","1","","Kong, Feng; Li, Meng; Zhou, Xigeng; Zhang, Lixin","Synthesis, structure and reactivity of guanidinate rare earth metal bis(o-aminobenzyl) complexes","RSC Adv.","2017","7","47","29752","","10.1039/C7RA04524G","","","0.71073","MoKα","","0.0915","0.0491","","","0.1116","0.1212","","","","","","1.042","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228438","13.05","0.002","26.302","0.005","19.537","0.004","90","","104.17","0.003","90","","6502","2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C71 H82 N7 S2 Y -","- C71 H82 N7 S2 Y -","- C284 H328 N28 S8 Y4 -","4","0.5","","Kong, Feng; Li, Meng; Zhou, Xigeng; Zhang, Lixin","Synthesis, structure and reactivity of guanidinate rare earth metal bis(o-aminobenzyl) complexes","RSC Adv.","2017","7","47","29752","","10.1039/C7RA04524G","","","0.71073","MoKα","","0.0702","0.044","","","0.1154","0.1348","","","","","","1.032","","","","has coordinates","197643","2020-10-21","18:00:00",""
"7228439","14.1932","0.0016","15.3802","0.0018","30.149","0.004","94.987","0.002","92.195","0.002","116.551","0.001","5843","1.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C114 H144 Lu2 N10 S4 -","- C114 H144 Lu2 N10 S4 -","- C228 H288 Lu4 N20 S8 -","2","1","","Kong, Feng; Li, Meng; Zhou, Xigeng; Zhang, Lixin","Synthesis, structure and reactivity of guanidinate rare earth metal bis(o-aminobenzyl) complexes","RSC Adv.","2017","7","47","29752","","10.1039/C7RA04524G","","","0.71073","MoKα","","0.0593","0.0379","","","0.0959","0.1027","","","","","","1.029","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228440","10.323","0.008","10.93","0.008","16.132","0.012","79.031","0.007","82.038","0.009","82.388","0.009","1759","2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C39 H48 N3 -","- C39 H48 N3 -","- C78 H96 N6 -","2","1","","Kong, Feng; Li, Meng; Zhou, Xigeng; Zhang, Lixin","Synthesis, structure and reactivity of guanidinate rare earth metal bis(o-aminobenzyl) complexes","RSC Adv.","2017","7","47","29752","","10.1039/C7RA04524G","","","0.71073","MoKα","","0.0877","0.0618","","","0.176","0.1995","","","","","","1.047","","","","has coordinates","197643","2020-10-21","18:00:00",""
"7228441","13.114","0.003","26.401","0.006","19.568","0.005","90","","104.312","0.003","90","","6565","3","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C71 H82 Dy N7 S2 -","- C71 H82 Dy N7 S2 -","- C284 H328 Dy4 N28 S8 -","4","0.5","","Kong, Feng; Li, Meng; Zhou, Xigeng; Zhang, Lixin","Synthesis, structure and reactivity of guanidinate rare earth metal bis(o-aminobenzyl) complexes","RSC Adv.","2017","7","47","29752","","10.1039/C7RA04524G","","","0.71073","MoKα","","0.0898","0.0783","","","0.1827","0.1915","","","","","","1.006","","","","has coordinates","197643","2020-10-21","18:00:00",""
"7228442","13.0131","0.0013","16.0451","0.0016","16.917","0.003","103.838","0.002","104.826","0.002","112.459","0.002","2922.6","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H72 Lu N5 O4 -","- C59 H72 Lu N5 O4 -","- C118 H144 Lu2 N10 O8 -","2","1","","Kong, Feng; Li, Meng; Zhou, Xigeng; Zhang, Lixin","Synthesis, structure and reactivity of guanidinate rare earth metal bis(o-aminobenzyl) complexes","RSC Adv.","2017","7","47","29752","","10.1039/C7RA04524G","","","0.71073","MoKα","","0.0455","0.037","","","0.1056","0.1097","","","","","","1.001","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228443","15.4557","0.0017","23.843","0.003","31.373","0.004","90","","98.92","0.001","90","","11421","2","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C114 H144 Dy2 N10 S4 -","- C114 H144 Dy2 N10 S4 -","- C456 H576 Dy8 N40 S16 -","4","1","","Kong, Feng; Li, Meng; Zhou, Xigeng; Zhang, Lixin","Synthesis, structure and reactivity of guanidinate rare earth metal bis(o-aminobenzyl) complexes","RSC Adv.","2017","7","47","29752","","10.1039/C7RA04524G","","","0.71073","MoKα","","0.0718","0.0409","","","0.077","0.0823","","","","","","1.014","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228444","17.229","0.002","16.7584","0.0019","20.095","0.002","90","","107.672","0.001","90","","5528.2","1.1","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H72 La N5 O4 -","- C59 H72 La N5 O4 -","- C236 H288 La4 N20 O16 -","4","1","","Kong, Feng; Li, Meng; Zhou, Xigeng; Zhang, Lixin","Synthesis, structure and reactivity of guanidinate rare earth metal bis(o-aminobenzyl) complexes","RSC Adv.","2017","7","47","29752","","10.1039/C7RA04524G","","","0.71073","MoKα","","0.0549","0.0379","","","0.1046","0.1213","","","","","","1.051","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228445","24.986","0.007","24.986","0.007","47.359","0.009","90","","90","","120","","25605","11","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C57 H72 Lu N5 -","- C57 H72 Lu N5 -","- C1026 H1296 Lu18 N90 -","18","0.5","","Kong, Feng; Li, Meng; Zhou, Xigeng; Zhang, Lixin","Synthesis, structure and reactivity of guanidinate rare earth metal bis(o-aminobenzyl) complexes","RSC Adv.","2017","7","47","29752","","10.1039/C7RA04524G","","","0.71073","MoKα","","0.0419","0.0333","","","0.0903","0.0948","","","","","","0.997","","","","has coordinates","197643","2020-10-21","18:00:00",""
"7228446","13.041","0.005","16.053","0.006","16.979","0.011","103.789","0.01","104.711","0.01","112.479","0.007","2945","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C59 H72 N5 O4 Y -","- C59 H72 N5 O4 Y -","- C118 H144 N10 O8 Y2 -","2","1","","Kong, Feng; Li, Meng; Zhou, Xigeng; Zhang, Lixin","Synthesis, structure and reactivity of guanidinate rare earth metal bis(o-aminobenzyl) complexes","RSC Adv.","2017","7","47","29752","","10.1039/C7RA04524G","","","0.71073","MoKα","","0.1219","0.0819","","","0.2077","0.2282","","","","","","1.044","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228451","3.8706","0.0002","7.4727","0.0004","18.936","0.0012","90","","90.335","0.006","90","","547.69","0.05","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,7-dimethyl-1,3,6,8-Tetraazapyrene","","- C14 H10 N4 -","- C14 H10 N4 -","- C28 H20 N8 -","2","0.5","","Aksenov, Alexander V.; Ovcharov, Dmitrii S.; Aksenov, Nicolai A.; Aksenov, Dmitrii A.; Nadein, Oleg N.; Rubin, Michael","Dual role of polyphosphoric acid-activated nitroalkanes in oxidative peri-annulations: efficient synthesis of 1,3,6,8-tetraazapyrenes","RSC Adv.","2017","7","48","29927","","10.1039/C7RA04751G","","x-ray","1.54184","CuKα","","0.0518","0.0455","","","0.1312","0.1457","","","","","","1.139","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228468","11.936","0.002","5.4322","0.001","9.1679","0.0018","90","","90","","90","","594.44","0.19","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ba Fe1.95 Se3 -","- Ba Fe1.95 Se3 -","- Ba4 Fe7.8 Se12 -","4","0.5","","Gao, Juanjuan; Teng, Yifei; Liu, Wei; Chen, Shufan; Tong, Wenming; Li, Min; Zhao, Xudong; Liu, Xiaoyang","The synthesis and magnetic properties of BaFe2Se3 single crystals","RSC Adv.","2017","7","48","30433","","10.1039/C7RA03031B","","","0.71073","MoKα","","0.0452","0.0433","","","0.1063","0.1072","","","","","","1.028","","","","has coordinates","197802","2020-10-21","18:00:00",""
"7228469","10.391","0.0004","17.2188","0.0006","8.7009","0.0003","90","","98.489","0.004","90","","1539.71","0.1","293","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C80 H68 N4 O8 -","4","1","","Zhang, Zhenhui; Liu, Kunkun; Chen, Xun; Su, Shi-Jian; Deng, Yuanfu; Zeng, Wei","Rhodium(iii)-catalyzed indole-directed carbenoid aryl C–H insertion/cyclization: access to 1,2-benzocarbazoles","RSC Adv.","2017","7","49","30554","","10.1039/C7RA04889K","","","1.54178","CuKα","","0.045","0.0388","","","0.119","0.1278","","","","","","1.02","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228470","12.2335","0.0005","13.079","0.0006","14.4423","0.0005","95.978","0.003","106.554","0.004","105.092","0.004","2098.54","0.17","571","2","571","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 F N O4 -","- C26 H22 F N O4 -","- C104 H88 F4 N4 O16 -","4","2","","Zhang, Zhenhui; Liu, Kunkun; Chen, Xun; Su, Shi-Jian; Deng, Yuanfu; Zeng, Wei","Rhodium(iii)-catalyzed indole-directed carbenoid aryl C‒H insertion/cyclization: access to 1,2-benzocarbazoles","RSC Adv.","2017","7","49","30554","","10.1039/C7RA04889K","","","1.54184","CuKα","","0.072","0.0631","","","0.1835","0.1957","","","","","","1.057","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7228471","9.8358","0.0008","10.7665","0.0009","11.2441","0.0009","116.847","0.001","91.728","0.001","113.18","0.001","944.71","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H10 Ag2 Mo4 N4 O13 -","- C8 H8 Ag2 Mo4 N4 O13 -","- C16 H16 Ag4 Mo8 N8 O26 -","2","1","","Tian, Aixiang; Ni, Huaiping; Ji, Xuebin; Tian, Yan; Liu, Guocheng; Ying, Jun","Influence of pendant 2-[1,2,4]triazol-4-yl-ethylamine and symmetrical bis(pyrazol) ligands on dimensional extension of POM-based compounds","RSC Adv.","2017","7","49","30573","","10.1039/C7RA03884D","","","0.71073","MoKα","","0.053","0.0387","","","0.0856","0.0923","","","","","","0.987","","","","has coordinates","197843","2020-10-21","18:00:00",""
"7228472","8.224","0.006","10.388","0.007","12.836","0.009","84.46","0.014","80.618","0.015","68.544","0.012","1006.1","1.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H16 Cr0 Cu Mo4 N4 O13 -","- C11 H14 Cu Mo4 N4 O13 -","- C22 H28 Cu2 Mo8 N8 O26 -","2","1","","Tian, Aixiang; Ni, Huaiping; Ji, Xuebin; Tian, Yan; Liu, Guocheng; Ying, Jun","Influence of pendant 2-[1,2,4]triazol-4-yl-ethylamine and symmetrical bis(pyrazol) ligands on dimensional extension of POM-based compounds","RSC Adv.","2017","7","49","30573","","10.1039/C7RA03884D","","","0.71073","MoKα","","0.1277","0.0683","","","0.1549","0.1747","","","","","","0.903","","","","has coordinates","197843","2020-10-21","18:00:00",""
"7228473","10.1653","0.0005","12.4265","0.0006","12.5934","0.0006","90","","99.957","0.001","90","","1566.83","0.13","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H10 Ag Mo4 N4 O13 -","- C4 H8 Ag Mo4 N4 O13 -","- C16 H32 Ag4 Mo16 N16 O52 -","4","1","","Tian, Aixiang; Ni, Huaiping; Ji, Xuebin; Tian, Yan; Liu, Guocheng; Ying, Jun","Influence of pendant 2-[1,2,4]triazol-4-yl-ethylamine and symmetrical bis(pyrazol) ligands on dimensional extension of POM-based compounds","RSC Adv.","2017","7","49","30573","","10.1039/C7RA03884D","","","0.71073","MoKα","","0.0317","0.028","","","0.0649","0.0668","","","","","","1.01","","","","has coordinates","197843","2020-10-21","18:00:00",""
"7228474","8.4612","0.0007","10.5659","0.0011","10.7372","0.0009","100.957","0.002","102.211","0.002","100.545","0.002","895.82","0.14","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C8 H16 Cr0 Cu3 K2 Mo8 N8 O31 -","- C8 H16 Cu3 K2 Mo8 N8 O31 -","- C8 H16 Cu3 K2 Mo8 N8 O31 -","1","0.5","","Tian, Aixiang; Ni, Huaiping; Ji, Xuebin; Tian, Yan; Liu, Guocheng; Ying, Jun","Influence of pendant 2-[1,2,4]triazol-4-yl-ethylamine and symmetrical bis(pyrazol) ligands on dimensional extension of POM-based compounds","RSC Adv.","2017","7","49","30573","","10.1039/C7RA03884D","","","0.71073","MoKα","","0.047","0.0396","","","0.1203","0.1248","","","","","","1.077","","","","has coordinates","197843","2020-10-21","18:00:00",""
"7228475","8.6207","0.0003","18.0125","0.0007","11.1084","0.0004","90","","106.579","0.001","90","","1653.21","0.11","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C4 H12 Ag Cr0 Mo4 N4 O14 -","- C4 H8 Ag Mo4 N4 O14 -","- C16 H32 Ag4 Mo16 N16 O56 -","4","1","","Tian, Aixiang; Ni, Huaiping; Ji, Xuebin; Tian, Yan; Liu, Guocheng; Ying, Jun","Influence of pendant 2-[1,2,4]triazol-4-yl-ethylamine and symmetrical bis(pyrazol) ligands on dimensional extension of POM-based compounds","RSC Adv.","2017","7","49","30573","","10.1039/C7RA03884D","","","0.71073","MoKα","","0.0272","0.024","","","0.0609","0.0626","","","","","","1.019","","","","has coordinates","197843","2020-10-21","18:00:00",""
"7228500","8.9452","0.0001","7.6683","0.0001","19.8154","0.0001","90","","91.4239","0.0007","90","","1358.81","0.02","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H16 O6 -","- C16 H16 O6 -","- C64 H64 O24 -","4","2","","Li, Wei; Zhang, Jun-Sheng; Huang, Jia-Luo; Jiang, Min-Hong; Xu, You-Kai; Ahmed, Abrar; Yin, Sheng; Tang, Gui-Hua","New prenylated coumarins from the stems of Toddalia asiatica","RSC Adv.","2017","7","49","31061","","10.1039/C7RA04794K","","x-ray","1.54184","CuKα","","0.0378","0.0366","","","0.0966","0.0979","","","","","","1.0627","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228501","19.606","0.009","11.969","0.005","8.053","0.004","90","","90","","90","","1889.8","1.5","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H23 N O6 S -","- C21 H23 N O6 S -","- C84 H92 N4 O24 S4 -","4","1","","Pessêgo, Márcia; Basílio, Nuno; Mendoza, Johan; Avó, João; Cunha-Silva, Luís; Parola, A. Jorge; Pina, Fernando","Exploring the diethylaminoflavylium derivatives multistate system of chemical reactions in the presence of CTAB micelles: thermodynamic reversibility achieved through different kinetic pathways","RSC Adv.","2017","7","48","30469","","10.1039/C7RA04514J","","","0.71073","MoKα","","0.145","0.0644","","","0.0995","0.1196","","","","","","0.999","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228502","17.6076","0.0016","17.9505","0.0012","14.4826","0.0013","90","","125.893","0.003","90","","3708.2","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H22 B F4 N O -","- C21 H22 B F4 N O -","- C168 H176 B8 F32 N8 O8 -","8","1","","Pessêgo, Márcia; Basílio, Nuno; Mendoza, Johan; Avó, João; Cunha-Silva, Luís; Parola, A. Jorge; Pina, Fernando","Exploring the diethylaminoflavylium derivatives multistate system of chemical reactions in the presence of CTAB micelles: thermodynamic reversibility achieved through different kinetic pathways","RSC Adv.","2017","7","48","30469","","10.1039/C7RA04514J","","","0.71073","MoKα","","0.0831","0.0495","","","0.1112","0.1277","","","","","","1.032","","","","has coordinates","197884","2020-10-21","18:00:00",""
"7228503","11.3956","0.0007","14.0481","0.0009","13.028","0.0008","90","","114.24","0.003","90","","1901.7","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N O6 S -","- C21 H23 N O6 S -","- C84 H92 N4 O24 S4 -","4","1","","Pessêgo, Márcia; Basílio, Nuno; Mendoza, Johan; Avó, João; Cunha-Silva, Luís; Parola, A. Jorge; Pina, Fernando","Exploring the diethylaminoflavylium derivatives multistate system of chemical reactions in the presence of CTAB micelles: thermodynamic reversibility achieved through different kinetic pathways","RSC Adv.","2017","7","48","30469","","10.1039/C7RA04514J","","","0.71073","MoKα","","0.0422","0.0334","","","0.087","0.0931","","","","","","1.066","","","","has coordinates","197884","2020-10-21","18:00:00",""
"7228516","6.2804","0.0003","17.271","0.0006","10.3842","0.0004","90","","101.759","0.004","90","","1102.72","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H28 O7 -","- C25 H28 O7 -","- C50 H56 O14 -","2","1","","Wu, Xia; Fang, Li-Zhen; Liu, Feng-Lou; Pang, Xue-Jiao; Qin, Hai-Li; Zhao, Ting; Xu, Lu-Lin; Yang, Deng-Feng; Yang, Xiao-Long","New prenylxanthones, polyketide hemiterpenoid pigments from the endophytic fungus Emericella sp. XL029 and their anti-agricultural pathogenic fungal and antibacterial activities","RSC Adv.","2017","7","49","31115","","10.1039/C7RA04762B","","","0.71073","MoKα","","0.0631","0.0478","","","0.1072","0.1177","","","","","","1.057","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228517","9.567","0.005","17.241","0.009","9.945","0.005","90","","110.813","0.008","90","","1533.3","1.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 O -","- C21 H14 O -","- C84 H56 O4 -","4","1","","Zhang, Shuai; Bai, Xue-Ting; Chen, Dan-Yun; Chen, Pei; Zhang, Qian-Qian; Wang, Yan-Bo","Water-assisted metal-free catalyzed cyclization of 2-alkynylarylketones: a facile approach to indenones","RSC Adv.","2017","7","49","31142","","10.1039/C7RA05487D","","","0.71073","MoKα","","0.0712","0.041","","","0.0949","0.1089","","","","","","1.026","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228531","27.391","0.002","32.349","0.003","14.733","0.0013","90","0.005","90","0.005","90","0.005","13054.5","1.9","293","2","293","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C88 H136 Mo12 N3 O50 P Zn4 -","- C88 H132 Mo12 N3 O50 P Zn4 -","- C352 H528 Mo48 N12 O200 P4 Zn16 -","4","0.5","","Nie, Zhong-Bin; Zhang, Min; Su, Tan; Zhao, Liang; Wang, Yuan-Yuan; Sun, Guang-Yan; Su, Zhong-Min","Electrochemical and diffuse reflectance study on tetrahedral ε-Keggin-based metal‒organic frameworks","RSC Adv.","2017","7","50","31544","","10.1039/C7RA04771A","","","0.71069","MoKα","","0.1317","0.0714","","","0.1993","0.2534","","","","","","1.069","","","","has coordinates","198027","2020-10-21","18:00:00",""
"7228532","31.417","0.003","19.788","0.002","24.05","0.002","90","","100.334","0.003","90","","14709","2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H32 Mo12 N12 O48 P Zn4 -","- C46 H32 Mo12 N12 O48 P Zn4 -","- C184 H128 Mo48 N48 O192 P4 Zn16 -","4","1","","Nie, Zhong-Bin; Zhang, Min; Su, Tan; Zhao, Liang; Wang, Yuan-Yuan; Sun, Guang-Yan; Su, Zhong-Min","Electrochemical and diffuse reflectance study on tetrahedral ε-Keggin-based metal‒organic frameworks","RSC Adv.","2017","7","50","31544","","10.1039/C7RA04771A","","","0.71073","MoKα","","0.1147","0.0982","","","0.2308","0.2404","","","","","","1.037","","","","has coordinates","198027","2020-10-21","18:00:00",""
"7228533","10.8949","0.0011","15.8728","0.0015","33.006","0.004","90","","90","","90","","5707.8","1","173","","173","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H20 F6 Ir N4 P S2 -","- C28 H20 F6 Ir N4 P S2 -","- C224 H160 F48 Ir8 N32 P8 S16 -","8","1","","Pal, Amlan K.; Cordes, David B.; Slawin, Alexandra M. Z.; Momblona, Cristina; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J.; Zysman-Colman, Eli","Simple design to achieve red-to-near-infrared emissive cationic Ir(iii) emitters and their use in light emitting electrochemical cells","RSC Adv.","2017","7","51","31833","","10.1039/C7RA06347D","","","0.71075","MoKα","","0.0743","0.0336","","","0.0571","0.0725","","","","","","1.097","","","","has coordinates","198069","2020-10-21","18:00:00",""
"7228534","24.377","0.003","9.1545","0.001","15.859","0.002","90","","90","","90","","3539.1","0.7","93","","93","","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C38 H27 F6 Ir N5 P S2 -","- C38 H27 F6 Ir N5 P S2 -","- C152 H108 F24 Ir4 N20 P4 S8 -","4","1","","Pal, Amlan K.; Cordes, David B.; Slawin, Alexandra M. Z.; Momblona, Cristina; Pertegás, Antonio; Ortí, Enrique; Bolink, Henk J.; Zysman-Colman, Eli","Simple design to achieve red-to-near-infrared emissive cationic Ir(iii) emitters and their use in light emitting electrochemical cells","RSC Adv.","2017","7","51","31833","","10.1039/C7RA06347D","","","0.71075","MoKα","","0.02","0.0185","","","0.036","0.0362","","","","","","0.841","","","","has coordinates","198069","2020-10-21","18:00:00",""
"7228541","8.337","0.009","26.49","0.03","12.243","0.014","90","","101.24","0.014","90","","2652","5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N2 O4 S -","- C30 H32 N2 O4 S -","- C120 H128 N8 O16 S4 -","4","1","","Jiang, Hui; Tian, Yaming; Tian, Lumin; Li, Jian","A multicomponent bicyclization reaction of isocyanide, allenoate, imine and water to synthesize pyrrolidine-fused rings","RSC Adv.","2017","7","51","32300","","10.1039/C7RA05701F","","","0.71073","MoKα","","0.1318","0.0779","","","0.198","0.2284","","","","","","1.037","","","","has coordinates","301865","2025-08-22","16:17:14",""
"7228564","13.5464","0.0008","13.5464","0.0008","9.5297","0.0005","90","","90","","90","","1748.75","0.17","100","2","100","2","","","","","","","","6","P 4/n","-P 4a","85","","LR337","","- C32 H17.44 B F24 Li O2.72 -","- C32 H17.44 B F24 Li O2.72 -","- C64 H34.88 B2 F48 Li2 O5.44 -","2","","","Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton","Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts","RSC Adv.","2017","7","52","32833","","10.1039/C7RA05928K","","","0.71073","MoKα","","0.0688","0.051","","","0.1289","0.141","","","","","","1.069","","","","has coordinates,has disorder","198199","2020-10-21","18:00:00",""
"7228565","13.5956","0.0017","13.5956","0.0017","9.2978","0.0018","90","","90","","90","","1718.6","0.5","100","2","100","2","","","","","","","","6","P 4/n","-P 4a","85","","","","- C32 H14 B F24 O Rb -","- C32 H14 B F24 O Rb -","- C64 H28 B2 F48 O2 Rb2 -","2","","","Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton","Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts","RSC Adv.","2017","7","52","32833","","10.1039/C7RA05928K","","","0.71073","MoKα","","0.077","0.0553","","","0.1418","0.1512","","","","","","1.054","","","","has coordinates,has disorder","198199","2020-10-21","18:00:00",""
"7228566","19.2714","0.0008","9.2919","0.0004","24.3117","0.0009","90","","92.9513","0.0014","90","","4347.7","0.3","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C46 H28 B F24 N -","- C46 H28 B F24 N -","- C184 H112 B4 F96 N4 -","4","1","","Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton","Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts","RSC Adv.","2017","7","52","32833","","10.1039/C7RA05928K","","","0.71073","MoKα","","0.0965","0.0548","","","0.1304","0.149","","","","","","1.043","","","","has coordinates,has disorder","301865","2025-08-22","16:17:14",""
"7228567","11.0125","0.0005","11.2448","0.0006","11.4104","0.0007","109.792","0.005","100.616","0.004","105.928","0.004","1217.02","0.13","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C48 H32 B F24 N -","- C48 H32 B F24 N -","- C48 H32 B F24 N -","1","1","","Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton","Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts","RSC Adv.","2017","7","52","32833","","10.1039/C7RA05928K","","","0.7107","MoKα","","0.0818","0.0739","","","0.1906","0.1945","","","","","","1.03","","","","has coordinates,has disorder","301865","2025-08-22","16:17:14",""
"7228568","22.752","0.005","9.487","0.002","19.182","0.004","90","","94.351","0.007","90","","4128.5","1.5","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C40 H26 B F24 N O -","- C40 H26 B F24 N O -","- C160 H104 B4 F96 N4 O4 -","4","1","","Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton","Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts","RSC Adv.","2017","7","52","32833","","10.1039/C7RA05928K","","","0.71073","MoKα","","0.057","0.0493","","","0.1256","0.1325","","","","","","1.041","","","","has coordinates,has disorder","301865","2025-08-22","16:17:14",""
"7228569","13.0651","0.0015","13.0711","0.0014","38.978","0.004","87.174","0.003","84.108","0.003","89.978","0.003","6613.2","1.2","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C60 H68 B Cs F24 O7 -","- C60 H68 B Cs F24 O7 -","- C240 H272 B4 Cs4 F96 O28 -","4","4","","Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton","Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts","RSC Adv.","2017","7","52","32833","","10.1039/C7RA05928K","","","0.71073","MoKα","","0.0967","0.0879","","","0.2286","0.2359","","","","","","1.023","","","","has coordinates,has disorder","198199","2020-10-21","18:00:00",""
"7228570","16.4686","0.0013","17.9533","0.0015","19.0631","0.0013","77.61","0.003","69.759","0.002","77.079","0.002","5096","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H29.33 B0.67 F16 Li0.67 O2.67 -","- C32 H29.3333 B0.666667 F16 Li0.666667 O2.66667 -","- C192 H176 B4 F96 Li4 O16 -","6","3","","Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton","Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts","RSC Adv.","2017","7","52","32833","","10.1039/C7RA05928K","","","0.71073","MoKα","","0.1418","0.0705","","","0.1673","0.2094","","","","","","1.031","","","","has coordinates,has disorder","198199","2020-10-21","18:00:00",""
"7228571","17.9001","0.0008","18.5829","0.0008","35.8142","0.0016","90","","90.5574","0.0014","90","","11912.5","0.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H60 B F24 Na O6 -","- C56 H60 B F24 Na O6 -","- C448 H480 B8 F192 Na8 O48 -","8","1","","Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton","Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts","RSC Adv.","2017","7","52","32833","","10.1039/C7RA05928K","","","0.71073","MoKα","","0.0984","0.0779","","","0.2036","0.2213","","","","","","1.078","","","","has coordinates,has disorder","301865","2025-08-22","16:17:14",""
"7228572","13.5095","0.0005","13.5095","0.0005","9.2868","0.0004","90","","90","","90","","1694.9","0.11","100","2","100","2","","","","","","","","6","P 4/n","-P 4a","85","","","","- C32 H13 B F24 K O0.5 -","- C32 H13 B F24 K O0.5 -","- C64 H26 B2 F48 K2 O -","2","","","Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton","Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts","RSC Adv.","2017","7","52","32833","","10.1039/C7RA05928K","","","0.71073","MoKα","","0.0607","0.0541","","","0.1635","0.1687","","","","","","1.112","","","","has coordinates,has disorder","198199","2020-10-21","18:00:00",""
"7228573","15.943","0.0004","15.943","0.0004","14.8521","0.0005","90","","90","","90","","3775.1","0.18","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H20 B F24 Li O4 -","- C32 H20 B F24 Li O4 -","- C128 H80 B4 F96 Li4 O16 -","4","0.25","","Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton","Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts","RSC Adv.","2017","7","52","32833","","10.1039/C7RA05928K","","","0.71073","MoKα","","0.062","0.0489","","","0.1294","0.1387","","","","","","1.055","","","","has coordinates,has disorder","198199","2020-10-21","18:00:00",""
"7228574","13.5537","0.0007","13.5537","0.0007","9.785","0.0007","90","","90","","90","","1797.53","0.18","100","2","100","2","","","","","","","","7","P 4/n","-P 4a","85","","","","- C32 H18.76 B Cl0 F24 Na O2.38 -","- C32 H18.76 B F24 Na O2.38 -","- C64 H37.52 B2 F48 Na2 O4.76 -","2","","","Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton","Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts","RSC Adv.","2017","7","52","32833","","10.1039/C7RA05928K","","","0.71073","MoKα","","0.0895","0.0624","","","0.1726","0.1984","","","","","","1.042","","","","has coordinates,has disorder","198199","2020-10-21","18:00:00",""
"7228575","13.7562","0.0004","13.7562","0.0004","19.0303","0.0007","90","","90","","90","","3601.2","0.2","100","2","100","2","","","","","","","","6","P 4/n c c","-P 4a 2ac","130","","","","- C33 H14 B Cl2 Cs F24 -","- C33 H14 B Cl2 Cs F24 -","- C132 H56 B4 Cl8 Cs4 F96 -","4","","","Carreras, Lucas; Rovira, Laura; Vaquero, Mónica; Mon, Ignasi; Martin, Eddy; Benet-Buchholz, Jordi; Vidal-Ferran, Anton","Syntheses, characterisation and solid-state study of alkali and ammonium BArF salts","RSC Adv.","2017","7","52","32833","","10.1039/C7RA05928K","","","0.71073","MoKα","","0.0519","0.0381","","","0.0936","0.1016","","","","","","1.067","","","","has coordinates,has disorder","198199","2020-10-21","18:00:00",""
"7228605","7.7835","0.0006","12.1558","0.0008","28.405","0.003","90","","90","","90","","2687.5","0.4","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H40 O4 -","- C33 H40 O4 -","- C132 H160 O16 -","4","1","","Tian, Wen-Jing; Qiu, Yu-Qin; Chen, Jun-Jie; Yao, Xiao-Jun; Wang, Guang-Hui; Dai, Yi; Chen, Hai-Feng; Yao, Xin-Sheng","Norsampsone E, an unprecedented decarbonyl polycyclic polyprenylated acylphloroglucinol with a homoadamantyl core from Hypericum sampsonii","RSC Adv.","2017","7","53","33113","","10.1039/C7RA05947G","","x-ray","1.54184","CuKα","","0.1367","0.0977","","","0.2371","0.275","","","","","","1.069","","","","has coordinates","301865","2025-08-22","16:17:15",""
"7228606","14.15822","0.00019","17.0208","0.0003","24.2524","0.0004","90","","90","","90","","5844.45","0.16","150.05","0.1","150.05","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 O5 -","- C33 H42 O5 -","- C264 H336 O40 -","8","2","","Tian, Wen-Jing; Qiu, Yu-Qin; Chen, Jun-Jie; Yao, Xiao-Jun; Wang, Guang-Hui; Dai, Yi; Chen, Hai-Feng; Yao, Xin-Sheng","Norsampsone E, an unprecedented decarbonyl polycyclic polyprenylated acylphloroglucinol with a homoadamantyl core from Hypericum sampsonii","RSC Adv.","2017","7","53","33113","","10.1039/C7RA05947G","","","1.54184","CuKα","","0.0423","0.0396","","","0.0993","0.1022","","","","","","1.045","","","","has coordinates,has disorder","301865","2025-08-22","16:17:15",""
"7228607","9.8352","0.0005","11.51","0.0007","49.946","0.003","90","","90","","90","","5654","0.6","160","0.14","160","0.14","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 O5 -","- C33 H42 O5 -","- C264 H336 O40 -","8","2","","Tian, Wen-Jing; Qiu, Yu-Qin; Chen, Jun-Jie; Yao, Xiao-Jun; Wang, Guang-Hui; Dai, Yi; Chen, Hai-Feng; Yao, Xin-Sheng","Norsampsone E, an unprecedented decarbonyl polycyclic polyprenylated acylphloroglucinol with a homoadamantyl core from Hypericum sampsonii","RSC Adv.","2017","7","53","33113","","10.1039/C7RA05947G","","","1.54184","CuKα","","0.0573","0.042","","","0.0849","0.0932","","","","","","0.999","","","","has coordinates","301865","2025-08-22","16:17:15",""
"7228611","7.6253","0.0003","10.0149","0.0004","12.9039","0.0005","95.695","0.002","93.482","0.002","97.522","0.002","969.41","0.07","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N4 O0 -","- C22 H28 N4 -","- C44 H56 N8 -","2","1","","Wang, Zhonglong; Yang, Jinlai; Yang, Yiqin; Fang, Hua; Xu, Xu; Rui, Jian; Su, Fan; Xu, Haijun; Wang, Shifa","A novel hexahydroquinazolin-2-amine-based fluorescence sensor for Cu2+ from isolongifolanone and its biological applications","RSC Adv.","2017","7","53","33263","","10.1039/C7RA04484D","","","0.71073","MoKα","","0.1363","0.0692","","","0.151","0.1712","","","","","","1.017","","","","has coordinates","198306","2020-10-21","18:00:00",""
"7228612","13.2651","0.0001","22.5628","0.0002","14.5925","0.0001","90","","94.564","0.001","90","","4353.65","0.06","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49 H57 Mo2 O2 P Sn -","- C49 H57 Mo2 O2 P Sn -","- C196 H228 Mo8 O8 P4 Sn4 -","4","1","","Alvarez, M. Angeles; Amor, Inmaculada; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Suárez, Jaime","Sn‒H bond additions to asymmetric trigonal phosphinidene-bridged dimolybdenum complexes","RSC Adv.","2017","7","53","33293","","10.1039/C7RA06439J","","","1.5418","CuKα","","0.0394","0.0282","","","0.0717","0.0913","","","","","","0.915","","","","has coordinates","198307","2020-10-21","18:00:00",""
"7228613","10.8296","0.0008","18.5024","0.0012","24.3014","0.0016","78.476","0.006","80.063","0.006","76.777","0.006","4603.4","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H55 Mo2 O2 P Sn -","- C48 H55 Mo2 O2 P Sn -","- C192 H220 Mo8 O8 P4 Sn4 -","4","2","","Alvarez, M. Angeles; Amor, Inmaculada; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Suárez, Jaime","Sn‒H bond additions to asymmetric trigonal phosphinidene-bridged dimolybdenum complexes","RSC Adv.","2017","7","53","33293","","10.1039/C7RA06439J","","x-ray","1.54184","CuKα","","0.2011","0.0958","","","0.2538","0.3114","","","","","","0.955","","","","has coordinates","198307","2020-10-21","18:00:00",""
"7228614","12.3155","0.0003","16.736","0.0004","15.9369","0.0006","90","","116.248","0.001","90","","2946.09","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H43 Mo2 O2 P -","- C31 H43 Mo2 O2 P -","- C124 H172 Mo8 O8 P4 -","4","1","","Alvarez, M. Angeles; Amor, Inmaculada; García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.; Suárez, Jaime","Sn‒H bond additions to asymmetric trigonal phosphinidene-bridged dimolybdenum complexes","RSC Adv.","2017","7","53","33293","","10.1039/C7RA06439J","","x-ray","0.71073","MoKα","","0.0656","0.045","","","0.1186","0.1571","","","","","","0.971","","","","has coordinates","198307","2020-10-21","18:00:00",""
"7228615","9.427","0.003","14.221","0.005","15.414","0.005","92.275","0.006","95.615","0.006","101.926","0.006","2008.3","1.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H104 Cl6 Co N12 O8 -","- C68 H104 Cl6 Co N12 O8 -","- C68 H104 Cl6 Co N12 O8 -","1","0.5","","Li, Jie; Zhang, Yao; Yang, Mingyan; Ma, Haixia","Two novel Co(ii) and Ni(ii) complexes of tebuconazole with enhanced antifungal activities","RSC Adv.","2017","7","53","33364","","10.1039/C7RA03629A","","","0.71073","MoKα","","0.1575","0.0753","","","0.1934","0.2412","","","","","","0.957","","","","has coordinates","301865","2025-08-22","16:17:15",""
"7228616","9.35","0.003","14.154","0.004","15.27","0.004","92.11","0.006","95.644","0.006","101.787","0.005","1965.3","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H104 Cl6 N12 Ni O8 -","- C68 H104 Cl6 N12 Ni O8 -","- C68 H104 Cl6 N12 Ni O8 -","1","0.5","","Li, Jie; Zhang, Yao; Yang, Mingyan; Ma, Haixia","Two novel Co(ii) and Ni(ii) complexes of tebuconazole with enhanced antifungal activities","RSC Adv.","2017","7","53","33364","","10.1039/C7RA03629A","","","0.71073","MoKα","","0.1952","0.083","","","0.182","0.2455","","","","","","0.933","","","","has coordinates","198308","2020-10-21","18:00:00",""
"7228617","14.1861","0.0004","7.38696","0.00018","15.4711","0.0004","90","","110.333","0.003","90","","1520.23","0.07","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 N5 O8 -","- C12 H13 N5 O8 -","- C48 H52 N20 O32 -","4","1","","Yang, Haijun; Liu, Yuejia; Ning, Hongli; Lei, Jianlei; Hu, Gang","Synthesis, structure and properties of imidazolium-based energetic ionic liquids","RSC Adv.","2017","7","53","33231","","10.1039/C7RA05601J","","x-ray","1.54184","CuKα","","0.0525","0.0479","","","0.1292","0.1334","","","","","","1.069","","","","has coordinates","198309","2020-10-21","18:00:00",""
"7228618","11.0072","0.0013","8.8756","0.0007","17.3685","0.0017","90","","99.588","0.01","90","","1673.1","0.3","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N6 O10 -","- C12 H12 N6 O10 -","- C48 H48 N24 O40 -","4","1","","Yang, Haijun; Liu, Yuejia; Ning, Hongli; Lei, Jianlei; Hu, Gang","Synthesis, structure and properties of imidazolium-based energetic ionic liquids","RSC Adv.","2017","7","53","33231","","10.1039/C7RA05601J","","x-ray","1.54184","CuKα","","0.0813","0.0702","","","0.2069","0.2307","","","","","","1.112","","","","has coordinates","198309","2020-10-21","18:00:00",""
"7228619","6.7821","0.0004","9.5516","0.0006","10.388","0.0005","94.882","0.004","96.973","0.004","110.449","0.005","619.95","0.07","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H11 N7 O5 -","- C8 H11 N7 O5 -","- C16 H22 N14 O10 -","2","1","","Yang, Haijun; Liu, Yuejia; Ning, Hongli; Lei, Jianlei; Hu, Gang","Synthesis, structure and properties of imidazolium-based energetic ionic liquids","RSC Adv.","2017","7","53","33231","","10.1039/C7RA05601J","","x-ray","1.54184","CuKα","","0.0429","0.0408","","","0.113","0.1152","","","","","","1.04","","","","has coordinates","301865","2025-08-22","16:17:15",""
"7228623","9.16165","0.00019","9.5804","0.0002","25.5833","0.0006","90","","90","","90","","2245.5","0.08","103.3","","103.3","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H30 N2 O8 S2 -","- C20 H30 N2 O8 S2 -","- C80 H120 N8 O32 S8 -","4","1","","Niu, Siwen; Liu, Dong; Shao, Zongze; Proksch, Peter; Lin, Wenhan","Eutypellazines A–M, thiodiketopiperazine-type alkaloids from deep sea derived fungus Eutypella sp. MCCC 3A00281","RSC Adv.","2017","7","53","33580","","10.1039/C7RA05774A","","","1.5418","CuKα","","0.0414","0.0394","","","0.0994","0.1015","","","","","","1.031","","","","has coordinates,has disorder","301865","2025-08-22","16:17:15",""
"7228624","14.08776","0.00018","15.89161","0.00019","27.952","0.0004","90","","90","","90","","6257.82","0.14","99.9","","99.9","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20.21 H22.84 N2 O5.4 S2 -","- C20.2107 H22.8427 N2 O5.40967 S2 -","- C242.528 H274.112 N24 O64.916 S24 -","12","3","","Niu, Siwen; Liu, Dong; Shao, Zongze; Proksch, Peter; Lin, Wenhan","Eutypellazines A‒M, thiodiketopiperazine-type alkaloids from deep sea derived fungus Eutypella sp. MCCC 3A00281","RSC Adv.","2017","7","53","33580","","10.1039/C7RA05774A","","","1.5418","CuKα","","0.0463","0.0449","","","0.1163","0.1175","","","","","","1.073","","","","has coordinates,has disorder","198359","2020-10-21","18:00:00",""
"7228625","8.27744","0.00017","10.60684","0.0002","21.3739","0.0004","90","","90","","90","","1876.57","0.06","102.4","","102.4","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N2 O6 S2 -","- C19 H22 N2 O6 S2 -","- C76 H88 N8 O24 S8 -","4","1","","Niu, Siwen; Liu, Dong; Shao, Zongze; Proksch, Peter; Lin, Wenhan","Eutypellazines A–M, thiodiketopiperazine-type alkaloids from deep sea derived fungus Eutypella sp. MCCC 3A00281","RSC Adv.","2017","7","53","33580","","10.1039/C7RA05774A","","","1.5418","CuKα","","0.033","0.0323","","","0.082","0.0827","","","","","","1.051","","","","has coordinates","301865","2025-08-22","16:17:15",""
"7228626","7.6255","0.0004","27.2984","0.0013","9.2094","0.0005","90","","90.413","0.005","90","","1917.02","0.17","104.7","","104.7","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H22 N2 O6 S2 -","- C19 H22 N2 O6 S2 -","- C76 H88 N8 O24 S8 -","4","2","","Niu, Siwen; Liu, Dong; Shao, Zongze; Proksch, Peter; Lin, Wenhan","Eutypellazines A–M, thiodiketopiperazine-type alkaloids from deep sea derived fungus Eutypella sp. MCCC 3A00281","RSC Adv.","2017","7","53","33580","","10.1039/C7RA05774A","","","1.5418","CuKα","","0.0484","0.0448","","","0.1097","0.1142","","","","","","1.041","","","","has coordinates","301865","2025-08-22","16:17:15",""
"7228627","9.5541","0.0009","13.1555","0.0017","15.7112","0.0006","90","","90","","90","","1974.7","0.3","101.8","","101.8","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O7 S2 -","- C19 H24 N2 O7 S2 -","- C76 H96 N8 O28 S8 -","4","1","","Niu, Siwen; Liu, Dong; Shao, Zongze; Proksch, Peter; Lin, Wenhan","Eutypellazines A–M, thiodiketopiperazine-type alkaloids from deep sea derived fungus Eutypella sp. MCCC 3A00281","RSC Adv.","2017","7","53","33580","","10.1039/C7RA05774A","","","1.5418","CuKα","","0.03","0.0293","","","0.0765","0.0772","","","","","","1.08","","","","has coordinates","301865","2025-08-22","16:17:15",""
"7228642","8.764","0.0005","10.666","0.0005","15.4487","0.0009","74.316","0.005","82.742","0.005","82.883","0.004","1373.09","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H25 Cl2 N7 O S -","- C29 H25 Cl2 N7 O S -","- C58 H50 Cl4 N14 O2 S2 -","2","1","","Yang, Lan; Bao, Xiao-Ping","Synthesis of novel 1,2,4-triazole derivatives containing the quinazolinylpiperidinyl moiety and N-(substituted phenyl)acetamide group as efficient bactericides against the phytopathogenic bacterium Xanthomonas oryzae pv. oryzae","RSC Adv.","2017","7","54","34005","","10.1039/C7RA04819J","","","0.71073","MoKα","","0.0694","0.0447","","","0.0991","0.1112","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:17:15",""
"7228643","16.3388","0.0019","11.4902","0.001","8.9282","0.0008","90","","98.731","0.009","90","","1656.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 F3 N3 -","- C19 H14 F3 N3 -","- C76 H56 F12 N12 -","4","1","","Kumar, Robin; Thirupathi, Natesan","Syntheses, characterisation, and catalytic role of (η5-C5Me5)Rh(iii) guanidinato complexes in transfer hydrogenation (TH) and TH–etherification","RSC Adv.","2017","7","54","33890","","10.1039/C7RA04152G","","","0.71073","MoKα","","0.1245","0.0958","","","0.2595","0.282","","","","","","1.098","","","","has coordinates","301865","2025-08-22","16:17:15",""
"7228644","12.93","0.005","24.943","0.005","12.939","0.005","90","0.005","107.458","0.005","90","0.005","3981","2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H29 Cl F18 N3 O Rh -","- C36 H29 Cl F18 N3 O Rh -","- C144 H116 Cl4 F72 N12 O4 Rh4 -","4","1","","Kumar, Robin; Thirupathi, Natesan","Syntheses, characterisation, and catalytic role of (η5-C5Me5)Rh(iii) guanidinato complexes in transfer hydrogenation (TH) and TH‒etherification","RSC Adv.","2017","7","54","33890","","10.1039/C7RA04152G","","","0.71073","MoKα","","0.0652","0.054","","","0.137","0.1448","","","","","","1.034","","","","has coordinates","198507","2020-10-21","18:00:00",""
"7228645","8.205","0.0003","26.4106","0.0009","15.137","0.0006","90","","98.241","0.004","90","","3246.3","0.2","298","2","298","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H28 Cl F9 N3 Rh -","- C32 H28 Cl F9 N3 Rh -","- C128 H112 Cl4 F36 N12 Rh4 -","4","1","","Kumar, Robin; Thirupathi, Natesan","Syntheses, characterisation, and catalytic role of (η5-C5Me5)Rh(iii) guanidinato complexes in transfer hydrogenation (TH) and TH‒etherification","RSC Adv.","2017","7","54","33890","","10.1039/C7RA04152G","","","0.71073","MoKα","","0.0383","0.0352","","","0.0934","0.0957","","","","","","1.028","","","","has coordinates","198507","2020-10-21","18:00:00",""
"7228646","8.556","0.004","13.968","0.006","15.438","0.007","88.234","0.012","82.724","0.016","86.156","0.014","1825.6","1.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H31 Cl3 F6 N4 Rh Sb -","- C31 H31 Cl3 F6 N4 Rh Sb -","- C62 H62 Cl6 F12 N8 Rh2 Sb2 -","2","1","","Kumar, Robin; Thirupathi, Natesan","Syntheses, characterisation, and catalytic role of (η5-C5Me5)Rh(iii) guanidinato complexes in transfer hydrogenation (TH) and TH‒etherification","RSC Adv.","2017","7","54","33890","","10.1039/C7RA04152G","","","0.71073","MoKα","","0.0904","0.0828","","","0.2107","0.2189","","","","","","1.072","","","","has coordinates,has disorder","198507","2020-10-21","18:00:00",""
"7228647","9.8151","0.0004","15.3776","0.0007","21.161","0.0008","96.403","0.003","90.056","0.003","92.318","0.003","3171.3","0.2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 Cl F9 N3 Rh -","- C32 H28 Cl F9 N3 Rh -","- C128 H112 Cl4 F36 N12 Rh4 -","4","2","","Kumar, Robin; Thirupathi, Natesan","Syntheses, characterisation, and catalytic role of (η5-C5Me5)Rh(iii) guanidinato complexes in transfer hydrogenation (TH) and TH‒etherification","RSC Adv.","2017","7","54","33890","","10.1039/C7RA04152G","","","0.71073","MoKα","","0.1132","0.0855","","","0.2062","0.223","","","","","","1.097","","","","has coordinates","198507","2020-10-21","18:00:00",""
"7228648","8.8697","0.0004","13.3962","0.0006","16.587","0.002","94.899","0.008","103.171","0.008","97.543","0.004","1888.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H25 Cl F18 Ir N3 -","- C35 H25 Cl F18 Ir N3 -","- C70 H50 Cl2 F36 Ir2 N6 -","2","1","","Kumar, Robin; Thirupathi, Natesan","Syntheses, characterisation, and catalytic role of (η5-C5Me5)Rh(iii) guanidinato complexes in transfer hydrogenation (TH) and TH‒etherification","RSC Adv.","2017","7","54","33890","","10.1039/C7RA04152G","","","0.71073","MoKα","","0.0402","0.0365","","","0.0966","0.0992","","","","","","1.059","","","","has coordinates","198507","2020-10-21","18:00:00",""
"7228649","12.0199","0.0005","8.545","0.0003","26.4401","0.0012","90","","101.963","0.004","90","","2656.68","0.19","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H27 Cl F3 N3 Rh -","- C29 H27 Cl F3 N3 Rh -","- C116 H108 Cl4 F12 N12 Rh4 -","4","1","","Kumar, Robin; Thirupathi, Natesan","Syntheses, characterisation, and catalytic role of (η5-C5Me5)Rh(iii) guanidinato complexes in transfer hydrogenation (TH) and TH–etherification","RSC Adv.","2017","7","54","33890","","10.1039/C7RA04152G","","","0.71073","MoKα","","0.0384","0.0345","","","0.0919","0.0951","","","","","","0.836","","","","has coordinates","301865","2025-08-22","16:17:15",""
"7228650","8.4625","0.0005","23.7259","0.0013","15.4211","0.001","90","","105.977","0.006","90","","2976.7","0.3","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C29 H28 Cl4 N3 Rh -","- C29 H28 Cl4 N3 Rh -","- C116 H112 Cl16 N12 Rh4 -","4","1","","Kumar, Robin; Thirupathi, Natesan","Syntheses, characterisation, and catalytic role of (η5-C5Me5)Rh(iii) guanidinato complexes in transfer hydrogenation (TH) and TH‒etherification","RSC Adv.","2017","7","54","33890","","10.1039/C7RA04152G","","","0.71073","MoKα","","0.0353","0.0327","","","0.0833","0.0855","","","","","","1.056","","","","has coordinates","198507","2020-10-21","18:00:00",""
"7228651","14.867","0.005","7.952","0.005","24.503","0.005","90","0.005","105.243","0.005","90","0.005","2795","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 Cl4 N3 Rh -","- C29 H27 Cl4 N3 Rh -","- C116 H108 Cl16 N12 Rh4 -","4","1","","Kumar, Robin; Thirupathi, Natesan","Syntheses, characterisation, and catalytic role of (η5-C5Me5)Rh(iii) guanidinato complexes in transfer hydrogenation (TH) and TH‒etherification","RSC Adv.","2017","7","54","33890","","10.1039/C7RA04152G","","","0.71073","MoKα","","0.064","0.0558","","","0.1289","0.1339","","","","","","1.024","","","","has coordinates","198507","2020-10-21","18:00:00",""
"7228652","11.728","0.006","36.452","0.017","9.417","0.005","90","","90","","90","","4026","4","298","2","298","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C19 H14 Cl3 N3 -","- C19 H14 Cl3 N3 -","- C152 H112 Cl24 N24 -","8","1","","Kumar, Robin; Thirupathi, Natesan","Syntheses, characterisation, and catalytic role of (η5-C5Me5)Rh(iii) guanidinato complexes in transfer hydrogenation (TH) and TH–etherification","RSC Adv.","2017","7","54","33890","","10.1039/C7RA04152G","","","0.71073","MoKα","","0.1807","0.1017","","","0.2944","0.3607","","","","","","1.125","","","","has coordinates","301865","2025-08-22","16:17:15",""
"7228653","8.4946","0.0005","15.3253","0.0006","20.2015","0.0009","90.466","0.004","94.236","0.004","90.481","0.004","2622.5","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H11 F18 N3 -","- C25 H11 F18 N3 -","- C100 H44 F72 N12 -","4","2","","Kumar, Robin; Thirupathi, Natesan","Syntheses, characterisation, and catalytic role of (η5-C5Me5)Rh(iii) guanidinato complexes in transfer hydrogenation (TH) and TH‒etherification","RSC Adv.","2017","7","54","33890","","10.1039/C7RA04152G","","","0.71073","MoKα","","0.1211","0.0903","","","0.2199","0.2425","","","","","","1.03","","","","has coordinates","198507","2020-10-21","18:00:00",""
"7228669","16.8213","0.0016","41.992","0.004","49.548","0.004","90","","90","","90","","34999","5","150","2","150","2","","","","","","","","5","F d d d","-F 2uv 2vw","70","","","","- C60 H48 Cd3 N2 O22 -","- C60 H48 Cd3 N2 O22 -","- C960 H768 Cd48 N32 O352 -","16","","","Peng, Hai-Jun; Hao, Gui-Xia; Chu, Zhao-Hua; Lin, Yin-Wan; Lin, Xiao-Ming; Cai, Yue-Peng","Porous carbon with large surface area derived from a metal‒organic framework as a lithium-ion battery anode material","RSC Adv.","2017","7","54","34104","","10.1039/C7RA05090A","","","1.54178","CuKα","","0.0762","0.0648","","","0.1889","0.2023","","","","","","1.092","","","","has coordinates","198580","2020-10-21","18:00:00",""
"7228670","5.1034","0.0011","18.336","0.005","20.348","0.005","90","","95.3","0.02","90","","1895.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 N6 O4 -","- C18 H24 N6 O4 -","- C72 H96 N24 O16 -","4","1","","Rai, U. S.; Singh, Manjeet; Rai, R. N.","Remarkable dielectric properties of 1 : 2 inter-molecular compound of 2-(4-(dimethylamino) benzylideneamino) benzoic acid and urea due to excited-state intramolecular proton transfer","RSC Adv.","2017","7","55","34382","","10.1039/C7RA03067C","","","0.71073","MoKα","","0.1428","0.0816","","","0.2077","0.2596","","","","","","1.03","","","","has coordinates","301865","2025-08-22","16:17:15",""
"7228671","8.6807","0.0003","10.7996","0.0003","15.8435","0.0006","90","","90","","90","","1485.3","0.09","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 F N2 O3 S -","- C16 H13 F N2 O3 S -","- C64 H52 F4 N8 O12 S4 -","4","1","","Lee, Sang Gyu; Kim, Sung-Gon","An asymmetric Brønsted acid-catalyzed Friedel–Crafts reaction of indoles with cyclic N-sulfimines","RSC Adv.","2017","7","54","34283","","10.1039/C7RA06244C","","","0.71073","MoKα","","0.0423","0.0334","","","0.0805","0.0849","","","","","","1.092","","","","has coordinates","301865","2025-08-22","16:17:15",""
"7228679","7.3536","0.0004","15.72","0.001","13.263","0.0007","90","","97.68","0.004","90","","1519.43","0.15","295","2","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(Diethylamino)-6-phenylpyridine-3,4-dicarbonitrile","","- C17 H16 N4 -","- C17 H16 N4 -","- C68 H64 N16 -","4","1","","Ershov, O. V.; Ievlev, M. Yu.; Belikov, M. Yu.; Naidenova, A. I.; Maksimova, V. N.; Tafeenko, V. A.","Synthesis, solution and solid-state fluorescence of 2-diethylaminocinchomeronic dinitrile derivatives","RSC Adv.","2017","7","55","34886","","10.1039/C7RA06217F","","","1.54186","CuKα","","0.1597","0.0422","","","0.0726","0.0967","","","","","","0.655","","","","has coordinates","301865","2025-08-22","16:17:15",""
"7228680","9.5477","0.0002","7.8499","0.0002","21.8199","0.0007","90","","102.249","0.003","90","","1598.14","0.08","295","2","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(Diethylamino)-5-methyl-6-phenylpyridine-3,4-dicarbonitrile","","- C18 H18 N4 -","- C18 H18 N4 -","- C72 H72 N16 -","4","1","","Ershov, O. V.; Ievlev, M. Yu.; Belikov, M. Yu.; Naidenova, A. I.; Maksimova, V. N.; Tafeenko, V. A.","Synthesis, solution and solid-state fluorescence of 2-diethylaminocinchomeronic dinitrile derivatives","RSC Adv.","2017","7","55","34886","","10.1039/C7RA06217F","","","1.54186","CuKα","","0.0821","0.059","","","0.1513","0.1643","","","","","","0.929","","","","has coordinates","301865","2025-08-22","16:17:15",""
"7228681","15.5322","0.0008","15.6186","0.0008","15.7678","0.0008","90","","111.743","0.004","90","","3553","0.3","295","2","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-(Diethylamino)-6-(3,4-dimethoxyphenyl)pyridine-3,4-dicarbonitrile","","- C19 H20 N4 O2 -","- C19 H20 N4 O2 -","- C152 H160 N32 O16 -","8","2","","Ershov, O. V.; Ievlev, M. Yu.; Belikov, M. Yu.; Naidenova, A. I.; Maksimova, V. N.; Tafeenko, V. A.","Synthesis, solution and solid-state fluorescence of 2-diethylaminocinchomeronic dinitrile derivatives","RSC Adv.","2017","7","55","34886","","10.1039/C7RA06217F","","","1.54186","CuKα","","0.1254","0.0826","","","0.214","0.2413","","","","","","0.909","","","","has coordinates","301865","2025-08-22","16:17:15",""
"7228682","4.9799","0.0003","14.1541","0.0007","22.8964","0.0012","90","","92.652","0.002","90","","1612.15","0.15","295","2","295","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-(Diethylamino)-5,6,7,8,9,10-hexahydrocycloocta[b] pyridine-3,4-dicarbonitrile","","- C17 H22 N4 -","- C17 H22 N4 -","- C68 H88 N16 -","4","1","","Ershov, O. V.; Ievlev, M. Yu.; Belikov, M. Yu.; Naidenova, A. I.; Maksimova, V. N.; Tafeenko, V. A.","Synthesis, solution and solid-state fluorescence of 2-diethylaminocinchomeronic dinitrile derivatives","RSC Adv.","2017","7","55","34886","","10.1039/C7RA06217F","","","1.54186","CuKα","","0.1289","0.0957","","","0.2673","0.2923","","","","","","1.019","","","","has coordinates","301865","2025-08-22","16:17:15",""
"7228683","7.873","0.0004","9.2372","0.0005","9.961","0.0005","72.004","0.005","76.996","0.004","76.16","0.004","659.95","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H14 N O4 Zn -","- C13 H14 N O4 Zn -","- C26 H28 N2 O8 Zn2 -","2","1","","Liu, Jie; Li, Pei-Xin; Zeng, Hui-Yi; Guo, Guo-Cong","Two new photochromic coordination compounds with nonphotochromic ligands and different metal centers","RSC Adv.","2017","7","55","34901","","10.1039/C7RA05352E","","","0.71073","MoKα","","0.0494","0.0434","","","0.1148","0.1167","","","","","","1.021","","","","has coordinates","198718","2020-10-21","18:00:00",""
"7228684","7.766","0.0003","11.3054","0.0005","19.0411","0.0007","99.745","0.003","91.795","0.003","91.783","0.003","1645.71","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H36 N3 O10 Zn2 -","- C31 H36 N3 O10 Zn2 -","- C62 H72 N6 O20 Zn4 -","2","1","","Liu, Jie; Li, Pei-Xin; Zeng, Hui-Yi; Guo, Guo-Cong","Two new photochromic coordination compounds with nonphotochromic ligands and different metal centers","RSC Adv.","2017","7","55","34901","","10.1039/C7RA05352E","","","0.71073","MoKα","","0.0438","0.0361","","","0.1779","0.1832","","","","","","1.033","","","","has coordinates","198718","2020-10-21","18:00:00",""
"7228694","8.5601","0.0009","14.9864","0.0013","23.2722","0.0018","90","","90","","90","","2985.5","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H43 N O7 -","- C32 H43 N O7 -","- C128 H172 N4 O28 -","4","1","","Liu, Mengyujie; Lu, Chunhua; Tang, Ruocong; Li, Shanren; Wang, Haoxin; Shen, Yuemao","Neoansamycins from Streptomyces sp. LZ35","RSC Adv.","2017","7","56","35460","","10.1039/C7RA06339C","","","1.54178","CuKα","","0.1577","0.0778","","","0.1356","0.1854","","","","","","1.003","","","","has coordinates,has disorder","301865","2025-08-22","16:17:15",""
"7228695","15.083","0.004","15.371","0.004","16.395","0.004","66.767","0.003","81.148","0.004","80.089","0.004","3425.1","1.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C71 H78 N6 O13 S4 -","- C71 H78 N6 O13 S4 -","- C142 H156 N12 O26 S8 -","2","1","","Lv, Xue-Xin; Wang, Qian; Zhang, Li-Jing; Liu, Ling-Ling; Zhao, Mei; Guo, Dian-Shun","Synthesis, crystal structure and remote allosteric binding properties of cone thiacalix[4]pseudocrown receptors bearing anthraquinone function and different arms","RSC Adv.","2017","7","56","35528","","10.1039/C7RA06083A","","","0.71073","MoKα","","0.1098","0.0652","","","0.1525","0.1796","","","","","","1.022","","","","has coordinates,has disorder","301865","2025-08-22","16:17:15",""
"7228698","19.182","0.002","18.751","0.002","18.722","0.002","90","","113.614","0.0018","90","","6170.1","1.1","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Br4 Co3 N4 O14 -","- C34 H30 Br4 Co3 N4 O14 -","- C136 H120 Br16 Co12 N16 O56 -","4","1","","Li, Xiao-Yan; Chen, Le; Gao, Lei; Zhang, Yang; Akogun, Sunday Folaranmi; Dong, Wen-Kui","Syntheses, crystal structures and catalytic activities of two solvent-induced homotrinuclear Co(ii) complexes with a naphthalenediol-based bis(Salamo)-type tetraoxime ligand","RSC Adv.","2017","7","57","35905","","10.1039/C7RA06796H","","","0.71073","MoKα","","0.0794","0.0511","","","0.1399","0.1496","","","","","","1.028","","","","has coordinates,has disorder","301865","2025-08-22","16:17:15",""
"7228699","14.5421","0.001","14.8347","0.0013","17.3221","0.0018","113.715","0.009","90.013","0.007","108.037","0.007","3219.6","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H36 Br4 Cl6 Co3 N4 O14 -","- C38 H36 Br4 Cl6 Co3 N4 O14 -","- C76 H72 Br8 Cl12 Co6 N8 O28 -","2","1","","Li, Xiao-Yan; Chen, Le; Gao, Lei; Zhang, Yang; Akogun, Sunday Folaranmi; Dong, Wen-Kui","Syntheses, crystal structures and catalytic activities of two solvent-induced homotrinuclear Co(ii) complexes with a naphthalenediol-based bis(Salamo)-type tetraoxime ligand","RSC Adv.","2017","7","57","35905","","10.1039/C7RA06796H","","","0.71073","MoKα","","0.1289","0.0721","","","0.1693","0.1997","","","","","","0.913","","","","has coordinates","301865","2025-08-22","16:17:15",""
"7228700","14.3596","0.0006","10.8125","0.0006","24.7814","0.0011","90","","104.824","0.004","90","","3719.6","0.3","287.56","0.1","287.56","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H35 Cl2 N O6 -","- C43 H35 Cl2 N O6 -","- C172 H140 Cl8 N4 O24 -","4","1","","Zhang, Ying; Feng, Yao-Qin; Wang, Jun-Hao; Han, Gaoyi; Li, Miao-Yu; Xiao, Yaoming; Feng, Zhen-Dong","Moiety effect on the luminescent property of star-shaped triphenylamine (TPA) derivatives as mechanochromic materials","RSC Adv.","2017","7","57","35672","","10.1039/C7RA03123H","","x-ray","0.71073","MoKα","","0.1086","0.0796","","","0.2769","0.3178","","","","","","1.001","","","","has coordinates","198826","2020-10-21","18:00:00",""
"7228712","6.8674","0.0003","13.0958","0.0006","22.6828","0.0011","90","","90","","90","","2039.96","0.16","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H20 O4 S2 -","- C22 H20 O4 S2 -","- C88 H80 O16 S8 -","4","1","","Dai, Chenshu; Wang, Junqi; Deng, Siqi; Zhou, Candong; Zhang, Wenhe; Zhu, Qiuhua; Tang, Xiaodong","Acid-mediated sulfonylation of arylethynylene bromides with sodium arylsulfinates: synthesis of (E)-1,2-bis(arylsulfonyl)ethylenes and arylacetylenic sulfones","RSC Adv.","2017","7","57","36112","","10.1039/C7RA07105A","","","1.54184","CuKα","","0.0329","0.0326","","","0.0878","0.088","","","","","","1.089","","","","has coordinates","301865","2025-08-22","16:17:15",""
"7228713","8.009","0.005","8.714","0.005","29.961","0.005","90","","94.39","","90","","2084.9","1.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 Cu N5 O6 -","- C23 H17 Cu N5 O6 -","- C92 H68 Cu4 N20 O24 -","4","1","","Usman, Mohammad; Zaki, Mehvash; Khan, Rais Ahmad; Alsalme, Ali; Ahmad, Musheer; Tabassum, Sartaj","Coumarin centered copper(ii) complex with appended-imidazole as cancer chemotherapeutic agents against lung cancer: molecular insight via DFT-based vibrational analysis","RSC Adv.","2017","7","57","36056","","10.1039/C7RA05874H","","","0.71073","MoKα","","0.0497","0.0386","","","0.0972","0.103","","","","","","1.066","","","","has coordinates","301865","2025-08-22","16:17:15",""
"7228728","30.4555","0.0013","30.4555","0.0013","15.9433","0.0013","90","","90","","120","","12806.8","1.3","296","2","293","2","","","","","","","","6","R 3 m :H","R 3 -2""","160","","","","- Cs12 H20 Nb9 O130 Si3 W28 -","- Cs12.0001 Nb9 O133 Si3 W28 -","- Cs36.0003 Nb27 O399 Si9 W84 -","3","0.166667","","Wang, Haiying; Hou, Lili; Li, Chen; Zhang, Dongdi; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Synthesis, structure, and photocatalytic hydrogen evolution of a trimeric Nb/W addendum cluster","RSC Adv.","2017","7","58","36416","","10.1039/C7RA06291E","","","0.71073","MoKα","","0.0543","0.0473","","","0.1173","0.1213","","","","","","1.058","","","","has coordinates,has disorder","208816","2020-10-21","18:00:00",""
"7228749","11.4558","0.0005","12.2566","0.0005","18.7593","0.0008","87.5699","0.0013","84.3897","0.0014","77.4603","0.0013","2558.22","0.19","294","2","294.07","","","","","","","","","5","P -1","-P 1","2","","","","- C63 H48 Er O7 P -","- C63 H48 Er O7 P -","- C126 H96 Er2 O14 P2 -","2","1","","Ahmed, Zubair; Aderne, Rian E.; Kai, Jiang; Resende, Jackson A. L. C.; Padilla-Chavarría, Helmut I.; Cremona, Marco","Near infrared organic light emitting devices based on a new erbium(iii) β-diketonate complex: synthesis and optoelectronic investigations","RSC Adv.","2017","7","30","18239","","10.1039/C6RA27473K","","x-ray","0.71073","MoKα","","0.0427","0.0288","","","0.0552","0.0593","","","","","","1.04","","","","has coordinates","301865","2025-08-22","16:17:16",""
"7228750","10.8478","0.0003","13.1152","0.0003","27.6434","0.0006","90","","98.886","0.002","90","","3885.65","0.16","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 Cu4 N28 O52 Si W12 -","- C36 H24 Cu4 N28 O52 Si W12 -","- C72 H48 Cu8 N56 O104 Si2 W24 -","2","0.5","","Gong, Chunhua; Zeng, Xianghua; Xin, Li; Zhang, Junyong; Xie, Jingli","Construction of 3D metal‒organic frameworks bearing heteropolyoxometalate units and multi-azole molecules and exploration of their photocatalytic activities","RSC Adv.","2017","7","59","36860","","10.1039/C7RA05210C","","","0.71073","MoKα","","0.0903","0.0868","","","0.1857","0.187","","","","","","1.05","","","","has coordinates","199040","2020-10-21","18:00:00",""
"7228751","12.8771","0.0006","13.4775","0.0006","13.5993","0.0005","107.916","0.004","103.921","0.003","112.783","0.004","1888.45","0.19","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H30 Cr Cu5 Mo6 N28 O31 -","- C36 H30 Cr Cu5 Mo6 N28 O31 -","- C36 H30 Cr Cu5 Mo6 N28 O31 -","1","0.5","","Gong, Chunhua; Zeng, Xianghua; Xin, Li; Zhang, Junyong; Xie, Jingli","Construction of 3D metal‒organic frameworks bearing heteropolyoxometalate units and multi-azole molecules and exploration of their photocatalytic activities","RSC Adv.","2017","7","59","36860","","10.1039/C7RA05210C","","x-ray","0.71073","MoKα","","0.0367","0.0317","","","0.0813","0.0841","","","","","","1.06","","","","has coordinates","199040","2020-10-21","18:00:00",""
"7228752","12.4729","0.0005","7.8274","0.0003","12.5069","0.0006","90","","104.642","0.004","90","","1181.4","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N O5 Zn -","- C13 H9 N O5 Zn -","- C52 H36 N4 O20 Zn4 -","4","1","","Song, Jiang-Feng; Luo, Jing-Jing; Jia, Ying-Ying; Xin, Li-Dong; Lin, Zhi-Zhu; Zhou, Rui-Sha","Solvent-induced construction of two zinc supramolecular isomers: synthesis, framework flexibility, sensing properties, and adsorption of dye molecules","RSC Adv.","2017","7","58","36575","","10.1039/C7RA05049F","","","0.71073","MoKα","","0.0604","0.0382","","","0.0716","0.0826","","","","","","1.093","","","","has coordinates","199041","2020-10-21","18:00:00",""
"7228753","31.206","0.0007","31.206","0.0007","10.5025","0.0003","90","","90","","120","","8857.3","0.4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C13 H9 N O5 Zn -","- C13 H9 N O5 Zn -","- C234 H162 N18 O90 Zn18 -","18","1","","Song, Jiang-Feng; Luo, Jing-Jing; Jia, Ying-Ying; Xin, Li-Dong; Lin, Zhi-Zhu; Zhou, Rui-Sha","Solvent-induced construction of two zinc supramolecular isomers: synthesis, framework flexibility, sensing properties, and adsorption of dye molecules","RSC Adv.","2017","7","58","36575","","10.1039/C7RA05049F","","","0.71073","MoKα","","0.0495","0.0361","","","0.1128","0.129","","","","","","0.862","","","","has coordinates","199041","2020-10-21","18:00:00",""
"7228754","10.348","0.0005","15.6841","0.0006","10.7299","0.0005","90","","109.506","0.005","90","","1641.5","0.14","289.48","0.1","289.48","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H37 Cl N6 O9 S -","- C26 H36 Cl N5 O10 S -","- C52 H72 Cl2 N10 O20 S2 -","2","1","","Zhang, Li-Jun; Zhang, Si-Xiang; Fu, Li-Na; Li, Xiao-Yun; Guo, Qi-Xiang","Organocatalytic synthesis of enantioenriched 1,2,4-triazolines containing a chiral quaternary carbon center","RSC Adv.","2017","7","30","18714","","10.1039/C6RA28800F","","x-ray","1.54184","CuKα","","0.0391","0.0381","","","0.0971","0.0982","","","","","","1.064","","","","has coordinates","199042","2020-10-21","18:00:00",""
"7228755","13.546","","24.517","","27.817","","90","","90","","90","","9238.23","","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C84 H87 N2 O4 Sc -","- C84 H87 N2 O4 Sc -","- C336 H348 N8 O16 Sc4 -","4","1","","Fei, Zenghui; Zeng, Chao; Lu, Chengrong; Zhao, Bei; Yao, Yingming","An efficient asymmetric hydrophosphonylation of unsaturated amides catalyzed by rare-earth metal amides [(Me3Si)2N]3RE(μ-Cl)Li(THF)3 with phenoxy-functionalized chiral prolinols","RSC Adv.","2017","7","31","19306","","10.1039/C7RA00468K","","","0.71073","MoKα","","0.0651","0.0554","","","0.1503","0.16","","","","","","1.008","","","","has coordinates","199043","2020-10-21","18:00:00",""
"7228756","9.6958","0.0008","10.0818","0.0009","21.4683","0.0019","90","","90","","90","","2098.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 N O4 P -","- C20 H26 N O4 P -","- C80 H104 N4 O16 P4 -","4","1","","Fei, Zenghui; Zeng, Chao; Lu, Chengrong; Zhao, Bei; Yao, Yingming","An efficient asymmetric hydrophosphonylation of unsaturated amides catalyzed by rare-earth metal amides [(Me3Si)2N]3RE(μ-Cl)Li(THF)3 with phenoxy-functionalized chiral prolinols","RSC Adv.","2017","7","31","19306","","10.1039/C7RA00468K","","","0.71073","MoKα","","0.1537","0.0599","","","0.1074","0.1356","","","","","","0.915","","","","has coordinates","301865","2025-08-22","16:17:16",""
"7228757","7.5036","0.0012","11.2036","0.0017","12.4155","0.0019","80.842","0.004","73.658","0.004","86.435","0.004","988.6","0.3","273","2","273","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H24 O6 -","- C22 H24 O6 -","- C44 H48 O12 -","2","1","","Kumar, Dileep; Das, Oindreela; Kaurav, Manvendra Singh; Khan, Tabrez","Synthetic studies en route to the first total synthesis of a naturally occurring quinone from Acorus gramineus, iso-merrilliaquinone, iso-magnoshinin and 2-epi-3,4-dihydro magnoshinin","RSC Adv.","2017","7","58","36844","","10.1039/C7RA05148D","","","0.71073","MoKα","","0.1671","0.0606","","","0.1415","0.1941","","","","","","0.916","","","","has coordinates","301865","2025-08-22","16:17:16",""
"7228758","13.504","0.003","17.675","0.003","22.376","0.007","90","","124.48","0.02","90","","4403","2","293.15","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H50 F36 N6 O18 Tb2 -","- C68 H50 F36 N6 O18 Tb2 -","- C136 H100 F72 N12 O36 Tb4 -","2","0.5","","Zhu, Mei; Li, Yang; Jia, Lingjie; Zhang, Li; Zhang, Wei","Syntheses, crystal structures, and magnetic properties of cyclic dimer Ln2L2 complexes constructed from (3-pyridinylmethoxy)phenyl-substituted nitronyl nitroxide ligands","RSC Adv.","2017","7","59","36895","","10.1039/C7RA06310E","","","0.710747","MoKα","","0.0877","0.0719","","","","0.1925","","","","","","1.0685","","","","has coordinates,has disorder","199341","2020-10-21","18:00:00",""
"7228759","13.387","0.003","17.241","0.003","22.063","0.007","90","","124","0.02","90","","4222","2","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H50 Er2 F36 N6 O18 -","- C68 H50 Er2 F36 N6 O18 -","- C136 H100 Er4 F72 N12 O36 -","2","0.5","","Zhu, Mei; Li, Yang; Jia, Lingjie; Zhang, Li; Zhang, Wei","Syntheses, crystal structures, and magnetic properties of cyclic dimer Ln2L2 complexes constructed from (3-pyridinylmethoxy)phenyl-substituted nitronyl nitroxide ligands","RSC Adv.","2017","7","59","36895","","10.1039/C7RA06310E","","","0.710747","MoKα","","0.067","0.0571","","","","0.1663","","","","","","1.0704","","","","has coordinates","199341","2020-10-21","18:00:00",""
"7228760","13.394","0.003","17.257","0.003","22.104","0.007","90","","124.21","0.02","90","","4225","2","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H50 Dy2 F36 N6 O18 -","- C68 H50 Dy2 F36 N6 O18 -","- C136 H100 Dy4 F72 N12 O36 -","2","0.5","","Zhu, Mei; Li, Yang; Jia, Lingjie; Zhang, Li; Zhang, Wei","Syntheses, crystal structures, and magnetic properties of cyclic dimer Ln2L2 complexes constructed from (3-pyridinylmethoxy)phenyl-substituted nitronyl nitroxide ligands","RSC Adv.","2017","7","59","36895","","10.1039/C7RA06310E","","","0.710747","MoKα","","0.0666","0.0577","","","","0.1648","","","","","","1.0382","","","","has coordinates","199341","2020-10-21","18:00:00",""
"7228761","13.433","0.003","17.289","0.004","18.334","0.004","90","","93.07","0.03","90","","4251.8","1.7","113.15","","113.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H50 F36 Gd2 N6 O18 -","- C68 H50 F36 Gd2 N6 O18 -","- C136 H100 F72 Gd4 N12 O36 -","2","0.5","","Zhu, Mei; Li, Yang; Jia, Lingjie; Zhang, Li; Zhang, Wei","Syntheses, crystal structures, and magnetic properties of cyclic dimer Ln2L2 complexes constructed from (3-pyridinylmethoxy)phenyl-substituted nitronyl nitroxide ligands","RSC Adv.","2017","7","59","36895","","10.1039/C7RA06310E","","","0.710747","MoKα","","0.0659","0.0603","","","","0.1687","","","","","","1.0508","","","","has coordinates","199341","2020-10-21","18:00:00",""
"7228762","13.372","0.003","17.214","0.003","22.022","0.007","90","","124.08","0.02","90","","4199","2","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H50 F36 Ho2 N6 O18 -","- C68 H50 F36 Ho2 N6 O18 -","- C136 H100 F72 Ho4 N12 O36 -","2","0.5","","Zhu, Mei; Li, Yang; Jia, Lingjie; Zhang, Li; Zhang, Wei","Syntheses, crystal structures, and magnetic properties of cyclic dimer Ln2L2 complexes constructed from (3-pyridinylmethoxy)phenyl-substituted nitronyl nitroxide ligands","RSC Adv.","2017","7","59","36895","","10.1039/C7RA06310E","","","0.710747","MoKα","","0.0776","0.0642","","","","0.1791","","","","","","1.0231","","","","has coordinates","199341","2020-10-21","18:00:00",""
"7228783","9.0846","0.0018","20.082","0.004","19.763","0.004","90","","93.894","0.003","90","","3597.2","1.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H60 Al N3 O -","- C38 H60 Al N3 O -","- C152 H240 Al4 N12 O4 -","4","1","","Keyes, Lauren K.; Todd, Angela D. K.; Giffin, Nick A.; Veinot, Alex J.; Hendsbee, Arthur D.; Robertson, Katherine N.; Geier, Stephen J.; Masuda, Jason D.","Reaction of sterically encumbered phenols, TEMPO-H, and organocarbonyl insertion reactions with L-AlH2 (L = HC(MeCNDipp)2, Dipp = 2,6-diisopropylphenyl)","RSC Adv.","2017","7","59","37315","","10.1039/C7RA06526D","","","0.71073","MoKα","","0.1021","0.0777","","","0.1855","0.1996","","","","","","1.121","","","","has coordinates","199366","2020-10-21","18:00:00",""
"7228784","9.292","0.003","11.936","0.003","17.61","0.005","98.473","0.004","104.305","0.004","100.237","0.004","1824.6","0.9","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H60 Al N3 O2 -","- C38 H60 Al N3 O2 -","- C76 H120 Al2 N6 O4 -","2","1","","Keyes, Lauren K.; Todd, Angela D. K.; Giffin, Nick A.; Veinot, Alex J.; Hendsbee, Arthur D.; Robertson, Katherine N.; Geier, Stephen J.; Masuda, Jason D.","Reaction of sterically encumbered phenols, TEMPO-H, and organocarbonyl insertion reactions with L-AlH2 (L = HC(MeCNDipp)2, Dipp = 2,6-diisopropylphenyl)","RSC Adv.","2017","7","59","37315","","10.1039/C7RA06526D","","","0.71073","MoKα","","0.1132","0.0624","","","0.1475","0.1779","","","","","","1.019","","","","has coordinates","199366","2020-10-21","18:00:00",""
"7228785","9.4049","0.0006","17.1433","0.0011","20.5503","0.0013","90","","90","","90","","3313.3","0.4","125","2","125.07","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H49 Al N2 O -","- C36 H49 Al N2 O -","- C144 H196 Al4 N8 O4 -","4","1","","Keyes, Lauren K.; Todd, Angela D. K.; Giffin, Nick A.; Veinot, Alex J.; Hendsbee, Arthur D.; Robertson, Katherine N.; Geier, Stephen J.; Masuda, Jason D.","Reaction of sterically encumbered phenols, TEMPO-H, and organocarbonyl insertion reactions with L-AlH2 (L = HC(MeCNDipp)2, Dipp = 2,6-diisopropylphenyl)","RSC Adv.","2017","7","59","37315","","10.1039/C7RA06526D","","","0.71073","MoKα","","0.0517","0.0413","","","0.0972","0.1031","","","","","","1.029","","","","has coordinates","199366","2020-10-21","18:00:00",""
"7228786","10.589","0.002","11.828","0.003","17.768","0.004","74.343","0.002","78.384","0.002","81.887","0.002","2090","0.8","100","2","99.98","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H55 Al N2 O -","- C42 H53 Al N2 O -","- C84 H106 Al2 N4 O2 -","2","1","","Keyes, Lauren K.; Todd, Angela D. K.; Giffin, Nick A.; Veinot, Alex J.; Hendsbee, Arthur D.; Robertson, Katherine N.; Geier, Stephen J.; Masuda, Jason D.","Reaction of sterically encumbered phenols, TEMPO-H, and organocarbonyl insertion reactions with L-AlH2 (L = HC(MeCNDipp)2, Dipp = 2,6-diisopropylphenyl)","RSC Adv.","2017","7","59","37315","","10.1039/C7RA06526D","","","0.71073","MoKα","","0.1798","0.1186","","","0.3381","0.3795","","","","","","1.231","","","","has coordinates","199366","2020-10-21","18:00:00",""
"7228787","18.513","0.005","9.348","0.002","22.483","0.006","90","","92.259","0.003","90","","3887.9","1.7","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43 H55 Al N2 O2 -","- C43 H55 Al N2 O2 -","- C172 H220 Al4 N8 O8 -","4","1","","Keyes, Lauren K.; Todd, Angela D. K.; Giffin, Nick A.; Veinot, Alex J.; Hendsbee, Arthur D.; Robertson, Katherine N.; Geier, Stephen J.; Masuda, Jason D.","Reaction of sterically encumbered phenols, TEMPO-H, and organocarbonyl insertion reactions with L-AlH2 (L = HC(MeCNDipp)2, Dipp = 2,6-diisopropylphenyl)","RSC Adv.","2017","7","59","37315","","10.1039/C7RA06526D","","","0.71073","MoKα","","0.0676","0.0427","","","0.0951","0.1095","","","","","","1.014","","","","has coordinates,has disorder","199366","2020-10-21","18:00:00",""
"7228788","12.12","0.003","14.739","0.003","22.976","0.004","90.781","0.002","94.755","0.002","108.004","0.002","3886.6","1.4","125","2","125.15","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H53 Al N2 O -","- C38 H53 Al N2 O -","- C152 H212 Al4 N8 O4 -","4","2","","Keyes, Lauren K.; Todd, Angela D. K.; Giffin, Nick A.; Veinot, Alex J.; Hendsbee, Arthur D.; Robertson, Katherine N.; Geier, Stephen J.; Masuda, Jason D.","Reaction of sterically encumbered phenols, TEMPO-H, and organocarbonyl insertion reactions with L-AlH2 (L = HC(MeCNDipp)2, Dipp = 2,6-diisopropylphenyl)","RSC Adv.","2017","7","59","37315","","10.1039/C7RA06526D","","","0.71073","MoKα","","0.1261","0.0711","","","0.1753","0.203","","","","","","1.028","","","","has coordinates","199366","2020-10-21","18:00:00",""
"7228789","12.5098","0.0016","15.1447","0.0019","22.23","0.003","90","","104.731","0.002","90","","4073.2","0.9","100","2","99.97","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C87 H129 Al2 N4 O2 -","- C87 H129 Al2 N4 O2 -","- C174 H258 Al4 N8 O4 -","2","0.5","","Keyes, Lauren K.; Todd, Angela D. K.; Giffin, Nick A.; Veinot, Alex J.; Hendsbee, Arthur D.; Robertson, Katherine N.; Geier, Stephen J.; Masuda, Jason D.","Reaction of sterically encumbered phenols, TEMPO-H, and organocarbonyl insertion reactions with L-AlH2 (L = HC(MeCNDipp)2, Dipp = 2,6-diisopropylphenyl)","RSC Adv.","2017","7","59","37315","","10.1039/C7RA06526D","","","0.71073","MoKα","","0.0847","0.057","","","0.1379","0.1537","","","","","","1.043","","","","has coordinates,has disorder","301865","2025-08-22","16:17:16",""
"7228790","29.928","0.01","18.643","0.006","22.998","0.008","90","","135.639","0.005","90","","8972","5","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H31 F4 Ir N6 O2 -","- C54 H31 F4 Ir N6 O2 -","- C432 H248 F32 Ir8 N48 O16 -","8","1","","Jing, Yi-Ming; Zheng, You-Xuan","Photoluminescence and electroluminescence of deep red iridium(iii) complexes with 2,3-diphenylquinoxaline derivatives and 1,3,4-oxadiazole derivatives ligands","RSC Adv.","2017","7","59","37021","","10.1039/C7RA05530G","","","0.71073","MoKα","","0.0755","0.0393","","","0.067","0.0778","","","","","","0.93","","","","has coordinates","199367","2020-10-21","18:00:00",""
"7228791","11.3469","0.0019","31.314","0.005","13.335","0.002","90","","110.451","0.003","90","","4439.5","1.2","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H35 Ir N6 O2 -","- C54 H35 Ir N6 O2 -","- C216 H140 Ir4 N24 O8 -","4","1","","Jing, Yi-Ming; Zheng, You-Xuan","Photoluminescence and electroluminescence of deep red iridium(iii) complexes with 2,3-diphenylquinoxaline derivatives and 1,3,4-oxadiazole derivatives ligands","RSC Adv.","2017","7","59","37021","","10.1039/C7RA05530G","","","0.71073","MoKα","","0.121","0.104","","","0.2567","0.2655","","","","","","1.133","","","","has coordinates,has disorder","199367","2020-10-21","18:00:00",""
"7228801","9.6202","0.0003","14.1254","0.0003","17.6565","0.0006","71.392","0.002","74.675","0.003","70.56","0.002","2110.45","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H112 N8 O20 Si8 -","- C72 H112 N8 O20 Si8 -","- C72 H112 N8 O20 Si8 -","1","0.5","","El Aziz, Youssef; Mehrban, Nazia; Taylor, Peter G.; Birchall, Martin A.; Bowen, James; Bassindale, Alan R.; Pitak, Mateusz B.; Coles, Simon J.","Facile synthesis of novel hybrid POSS biomolecules via “Click” reactions","RSC Adv.","2017","7","59","37474","","10.1039/C7RA07915J","","x-ray","0.71075","MoKα","K-L~3~","0.0544","0.0459","","","0.1215","0.128","","","","","","1.022","","","","has coordinates,has disorder","301865","2025-08-22","16:17:16",""
"7228818","16.876","0.004","12.155","0.003","19.495","0.004","90","","111.576","0.002","90","","3718.8","1.5","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H27 Cl2 N5 O Ru -","- C14 H27 Cl2 N5 O Ru -","- C112 H216 Cl16 N40 O8 Ru8 -","8","2","","Gopalakrishnan, Durairaj; Ganeshpandian, Mani; Loganathan, Rangasamy; Bhuvanesh, Nattamai S. P.; Sabina, Xavier Janet; Karthikeyan, J.","Water soluble Ru(ii)‒arene complexes of the antidiabetic drug metformin: DNA and protein binding, molecular docking, cytotoxicity and apoptosis-inducing activity","RSC Adv.","2017","7","60","37706","","10.1039/C7RA06514K","","","0.71073","MoKα","","0.0611","0.0416","","","0.0699","0.0767","","","","","","1.05","","","","has coordinates,has disorder","199432","2020-10-21","18:00:00",""
"7228831","15.8703","0.0009","26.0327","0.0014","19.7604","0.0011","90","","92.1531","0.0018","90","","8158.2","0.8","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H114 Co3 N8 O33 V10 -","- C48 H114 Co3 N8 O33 V10 -","- C192 H456 Co12 N32 O132 V40 -","4","1","","Maruyama, Tatsuya; Kikukawa, Yuji; Sakiyama, Hiroshi; Katayama, Misaki; Inada, Yasuhiro; Hayashi, Yoshihito","A highly-flexible cyclic-decavanadate ligand for interconversion of dinuclear- and trinuclear-cobalt(ii) and manganese(ii) cores","RSC Adv.","2017","7","60","37666","","10.1039/C7RA05941H","","","0.71075","MoKα","","0.0454","0.0398","","","0.0976","0.1036","","","","","","1.084","","","","has coordinates","301865","2025-08-22","16:17:16",""
"7228832","11.2581","0.0002","28.6822","0.001","19.2173","0.0005","90","","103.658","0.002","90","","6029.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","SF2738E","","- C15 H17 N3 O2 S -","- C15.25 H17 N3 O2 S -","- C244 H272 N48 O32 S16 -","16","4","","Deng, Lina; Wang, Rui; Wang, Guowei; Liu, Mingxu; Liao, Guojian; Liao, Zhihua; Chen, Min","Targeted isolation of sulfur-containing metabolites from Lsr2-deletion mutant strain of Streptomyces roseosporus","RSC Adv.","2017","7","60","37771","","10.1039/C7RA06482A","","","0.71073","MoKα","","0.0853","0.0536","","","0.1266","0.146","","","","","","1.057","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7228847","9.895","0.003","10.405","0.003","13.082","0.004","95.13","0.006","109.149","0.005","93.123","0.005","1262.2","0.7","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H27 N O6 S -","- C28 H27 N O6 S -","- C56 H54 N2 O12 S2 -","2","1","","Hu, Jun-Hao; Xu, Yun-Chao; Liu, Dan-Dan; Sun, Bing; Yi, Ying; Zhang, Fang-Lin","Direct stereoselective construction of cyclopropane α-amino acid with contiguous quaternary centers via [4 + 2] annulation reaction","RSC Adv.","2017","7","60","38077","","10.1039/C7RA06465A","","","0.71073","MoKα","","0.0463","0.0393","","","0.1083","0.1125","","","","","","1.093","","","","has coordinates","301865","2025-08-22","16:17:16",""
"7228848","11.9066","0.0006","6.9184","0.0005","10.0338","0.0005","90","","90","","90","","826.53","0.08","220","2","220","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- As Ba Cs S4 -","- As Ba Cs S4 -","- As4 Ba4 Cs4 S16 -","4","0.5","","Jiang, Jianqiao; Mei, Dajiang; Gong, Pifu; Lin, Zheshuai; Zhong, Junbo; Wu, Yuandong","Wide band gap design of new chalcogenide compounds: KSrPS4 and CsBaAsS4","RSC Adv.","2017","7","60","38044","","10.1039/C7RA01142C","","","0.71073","MoKα","","0.0322","0.0309","","","0.0768","0.0775","","","","","","1.091","","","","has coordinates","199496","2020-10-21","18:00:00",""
"7228849","16.8214","0.0009","6.6274","0.0005","6.5585","0.0004","90","","90","","90","","731.16","0.08","220","2","220","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- K P S4 Sr -","- K P S4 Sr -","- K4 P4 S16 Sr4 -","4","0.5","","Jiang, Jianqiao; Mei, Dajiang; Gong, Pifu; Lin, Zheshuai; Zhong, Junbo; Wu, Yuandong","Wide band gap design of new chalcogenide compounds: KSrPS4 and CsBaAsS4","RSC Adv.","2017","7","60","38044","","10.1039/C7RA01142C","","","0.71073","MoKα","","0.0326","0.0292","","","0.0749","0.077","","","","","","1.077","","","","has coordinates","301865","2025-08-22","16:17:16",""
"7228850","8.6727","0.0005","21.9456","0.0014","12.5567","0.0007","90","","94.984","0.002","90","","2380.9","0.2","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Br N3 O -","- C29 H20 Br N3 O -","- C116 H80 Br4 N12 O4 -","4","1","","Liu, Jiaming; Qian, Siran; Su, Zhenjie; Wang, Cunde","DBU-mediated [4 + 2] annulations of donor–acceptor cyclopropanes with 3-aryl-2-cyanoacrylates for the synthesis of fully substituted anilines","RSC Adv.","2017","7","61","38342","","10.1039/C7RA07230A","","","0.71073","MoKα","","0.0838","0.0549","","","0.1431","0.159","","","","","","1.033","","","","has coordinates","301865","2025-08-22","16:17:16",""
"7228851","11.579","0.003","12.312","0.003","17.454","0.004","90","","107.948","0.01","90","","2367.2","1","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 Cl N3 O2 -","- C28 H18 Cl N3 O2 -","- C112 H72 Cl4 N12 O8 -","4","1","","Liu, Jiaming; Qian, Siran; Su, Zhenjie; Wang, Cunde","DBU-mediated [4 + 2] annulations of donor–acceptor cyclopropanes with 3-aryl-2-cyanoacrylates for the synthesis of fully substituted anilines","RSC Adv.","2017","7","61","38342","","10.1039/C7RA07230A","","","0.71073","MoKα","","0.0785","0.0514","","","0.1166","0.1299","","","","","","1.034","","","","has coordinates","301865","2025-08-22","16:17:16",""
"7228852","8.6256","0.0001","22.3286","0.0003","10.6389","0.0002","90","","90","","90","","2049.03","0.05","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C21 H28 N2 O3 S -","- C21 H28 N2 O3 S -","- C84 H112 N8 O12 S4 -","4","1","","Yang, Shiwei; Bian, Guangling; Chen, Zhongxiang; Xia, Xiaohan; Zhou, Mi; Cui, Caiyan; Song, Ling","Highly efficient synthesis of chiral quaternary 3-aminooxindoles promoted by zinc(ii) chloride via Et2Zn-catalysed addition of Grignard reagents to isaltin-derived N-tert-butanesulfinyl ketimines","RSC Adv.","2017","7","61","38216","","10.1039/C7RA07692D","","","1.54184","CuKα","","0.0238","0.0231","","","0.0619","0.0624","","","","","","1.031","","","","has coordinates","301865","2025-08-22","16:17:16",""
"7228863","9.5634","0.0004","11.2799","0.0005","14.919","0.0006","90","","103.457","0.001","90","","1565.19","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C33 H53 N O6 -","- C33 H53 N O6 -","- C66 H106 N2 O12 -","2","1","","Nian, Yin; Yan, Hui; Li, Xiao-Nian; Zhou, Lin; Qiu, Ming-Hua","Cimifrigines A–G, cytotoxic triterpenes with an oxime group from the flowers of Cimicifuga frigida","RSC Adv.","2017","7","61","38557","","10.1039/C7RA07275A","","","1.54178","CuKα","","0.1072","0.1056","","","0.2898","0.295","","","","","","1.492","","","","has coordinates","301865","2025-08-22","16:17:16",""
"7228882","24.2686","0.0005","10.8127","0.0002","29.2829","0.0007","90","","90","","90","","7684.1","0.3","292","2","292","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C46 H40 N2 O3 -","- C46 H40 N2 O3 -","- C368 H320 N16 O24 -","8","1","","Xu, Ya-Lun; Fu, Ji-Ya; Liu, Chun-Hui; Ding, Tao","Synthesis of tetrasubstituted 1H-indazolo[1,2-b]phthalazinedione derivatives bearing three-dimensional turbine-type structures via domino reaction of phthalhydrazide and vinylketones","RSC Adv.","2017","7","61","38733","","10.1039/C7RA06856E","","","1.54184","CuKα","","0.0692","0.0515","","","0.1369","0.1515","","","","","","1.032","","","","has coordinates","301865","2025-08-22","16:17:16",""
"7228883","24.8728","0.0013","14.1665","0.0008","22.8202","0.0012","90","","97.374","0.002","90","","7974.4","0.7","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H30 N12 O16 Pr2 -","- C48 H30 N12 O16 Pr2 -","- C192 H120 N48 O64 Pr8 -","4","1","","He, Hongming; Chen, Si-Hang; Zhang, De-Yu; Yang, En-Cui; Zhao, Xiao-Jun","A luminescent metal‒organic framework as an ideal chemosensor for nitroaromatic compounds","RSC Adv.","2017","7","62","38871","","10.1039/C7RA06320B","","","0.71073","MoKα","","0.0693","0.0507","","","0.1073","0.1181","","","","","","0.98","","","","has coordinates","199664","2020-10-21","18:00:00",""
"7228884","10.2796","0.0007","36.643","0.003","10.8918","0.0008","90","","90","","90","","4102.7","0.5","293","","293","","","","","","","","From Chonnam National University","4","P m m n :2","-P 2ab 2a","59","PST-5","aluminophosphate","","- C26.72 N6.68 O77.45 Si36 -","- C26.72 N6.68 O77.4458 Si36 -","- C53.44 N13.36 O154.892 Si72 -","2","0.25","","Chang, Shuai; Jang, Hoi-Gu; Lee, Kwan-Young; Cho, Sung June","Three-dimensional crystal structure of novel aluminophosphate PST-5 solved using a powder charge flipping method","RSC Adv.","2017","7","61","38631","","10.1039/C7RA05100J","powder diffraction","x-ray","1.4862","synchrotron","","0.0981","0.0981","","0.134","0.134","","","","5.12","","","","","","","has coordinates","199665","2020-10-21","18:00:00",""
"7228885","49.977","0.011","12.631","0.003","28.671","0.006","90","","101.55","0.01","90","","17732","7","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C149 H173 Er3 F54 N18 O30 -","- C149 H141 Er3 F54 N18 O30 -","- C596 H564 Er12 F216 N72 O120 -","4","0.5","","Lv, Xue-Hui; Yang, Shuai-Liang; Li, Yuan-Xia; Zhang, Chen-Xi; Wang, Qing-Lun","A family of lanthanide compounds based on nitronyl nitroxide radicals: synthesis, structure, magnetic and fluorescence properties","RSC Adv.","2017","7","61","38179","","10.1039/C7RA05764D","","","0.71073","MoKα","","0.0524","0.0504","","","0.1169","0.1182","","","","","","1.072","","","","has coordinates,has disorder","199696","2020-10-21","18:00:00",""
"7228886","49.926","0.003","12.6037","0.0005","28.6405","0.0016","90","","101.279","0.003","90","","17674","1.6","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C149 H173 F54 Gd3 N18 O30 -","- C149 H173 F54 Gd3 N18 O30 -","- C596 H692 F216 Gd12 N72 O120 -","4","0.5","","Lv, Xue-Hui; Yang, Shuai-Liang; Li, Yuan-Xia; Zhang, Chen-Xi; Wang, Qing-Lun","A family of lanthanide compounds based on nitronyl nitroxide radicals: synthesis, structure, magnetic and fluorescence properties","RSC Adv.","2017","7","61","38179","","10.1039/C7RA05764D","","","0.71075","MoKα","","0.0346","0.032","","","0.0784","0.08","","","","","","1.059","","","","has coordinates,has disorder","199696","2020-10-21","18:00:00",""
"7228887","50.575","0.006","12.6932","0.0012","28.871","0.003","90","","100.922","0.003","90","","18198","3","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C149 H173 F54 La3 N18 O30 -","- C149 H173 F54 La3 N18 O30 -","- C596 H692 F216 La12 N72 O120 -","4","0.5","","Lv, Xue-Hui; Yang, Shuai-Liang; Li, Yuan-Xia; Zhang, Chen-Xi; Wang, Qing-Lun","A family of lanthanide compounds based on nitronyl nitroxide radicals: synthesis, structure, magnetic and fluorescence properties","RSC Adv.","2017","7","61","38179","","10.1039/C7RA05764D","","","0.71073","MoKα","","0.0508","0.0468","","","0.1155","0.118","","","","","","1.143","","","","has coordinates,has disorder","301865","2025-08-22","16:17:16",""
"7228888","50.142","0.005","12.6433","0.0012","28.692","0.002","90","","101.271","0.003","90","","17839","3","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C149 H173 Eu3 F54 N18 O30 -","- C149 H173 Eu3 F54 N18 O30 -","- C596 H692 Eu12 F216 N72 O120 -","4","0.5","","Lv, Xue-Hui; Yang, Shuai-Liang; Li, Yuan-Xia; Zhang, Chen-Xi; Wang, Qing-Lun","A family of lanthanide compounds based on nitronyl nitroxide radicals: synthesis, structure, magnetic and fluorescence properties","RSC Adv.","2017","7","61","38179","","10.1039/C7RA05764D","","","0.71073","MoKα","","0.0407","0.0388","","","0.0887","0.0898","","","","","","1.118","","","","has coordinates,has disorder","199696","2020-10-21","18:00:00",""
"7228889","49.914","0.019","12.461","0.004","28.558","0.01","90","","101.821","0.008","90","","17386","11","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C135 H141 F54 N18 O30 Tb3 -","- C135 H141 F54 N18 O30 Tb3 -","- C540 H564 F216 N72 O120 Tb12 -","4","0.5","","Lv, Xue-Hui; Yang, Shuai-Liang; Li, Yuan-Xia; Zhang, Chen-Xi; Wang, Qing-Lun","A family of lanthanide compounds based on nitronyl nitroxide radicals: synthesis, structure, magnetic and fluorescence properties","RSC Adv.","2017","7","61","38179","","10.1039/C7RA05764D","","","0.71073","MoKα","","0.0511","0.0433","","","0.111","0.1164","","","","","","1.045","","","","has coordinates,has disorder","199696","2020-10-21","18:00:00",""
"7228890","12.661","0.0012","17.372","0.0015","24.491","0.002","90","","93.967","0.006","90","","5373.8","0.8","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H47 Dy F18 N6 O10 -","- C45 H47 Dy F18 N6 O10 -","- C180 H188 Dy4 F72 N24 O40 -","4","1","","Lv, Xue-Hui; Yang, Shuai-Liang; Li, Yuan-Xia; Zhang, Chen-Xi; Wang, Qing-Lun","A family of lanthanide compounds based on nitronyl nitroxide radicals: synthesis, structure, magnetic and fluorescence properties","RSC Adv.","2017","7","61","38179","","10.1039/C7RA05764D","","","1.54187","CuKα","","0.0685","0.0587","","","0.1498","0.1682","","","","","","1.08","","","","has coordinates,has disorder","199696","2020-10-21","18:00:00",""
"7228891","8.809","0.0004","12.7998","0.0006","7.22","0.0003","90","","91.795","0.002","90","","813.68","0.06","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","2,5-bis(chloromethyl)-1,4-bis[9trifluoromethyl0sulfonyl]piperazine","","- C4 H5 Cl F3 N O2 S -","- C4 H5 Cl F3 N O2 S -","- C16 H20 Cl4 F12 N4 O8 S4 -","4","1","","Shainyan, B. A.; Astakhova, V. V.; Ganin, A. S.; Moskalik, M. Yu; Sterkhova, I. V.","Oxidative addition/cycloaddition of arenesulfonamides and triflamide to N-allyltriflamide and N,N-diallyltriflamide","RSC Adv.","2017","7","62","38951","","10.1039/C7RA05831D","","","0.71073","MoKα","","0.0314","0.0257","","","0.064","0.0671","","","","","","1.036","","","","has coordinates","301865","2025-08-22","16:17:16",""
"7228892","11.214","0.004","11.857","0.005","14.874","0.007","73.267","0.014","78.954","0.014","80.979","0.014","1848","1.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","3,7,9-tris[(trifluoromethyl)sulfonyl]-3,7,9-triazabicyclo[3.3.1]nonane","","- C9 H10 F9 N3 O6 S3 -","- C9 H10 F9 N3 O6 S3 -","- C36 H40 F36 N12 O24 S12 -","4","2","","Shainyan, B. A.; Astakhova, V. V.; Ganin, A. S.; Moskalik, M. Yu; Sterkhova, I. V.","Oxidative addition/cycloaddition of arenesulfonamides and triflamide to N-allyltriflamide and N,N-diallyltriflamide","RSC Adv.","2017","7","62","38951","","10.1039/C7RA05831D","","","0.71073","MoKα","","0.1164","0.0792","","","0.2262","0.2648","","","","","","1.051","","","","has coordinates","301865","2025-08-22","16:17:16",""
"7228893","11.3052","0.0016","17.982","0.003","18.058","0.003","90","","100.155","0.005","90","","3613.5","1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","3,7-diiodo-1,5-bis[(trifluoromethyl)sulfonyl]-1,5-diazocane","","- C8 H10 F6 I2 N2 O4 S2 -","- C8 H10 F6 I2 N2 O4 S2 -","- C64 H80 F48 I16 N16 O32 S16 -","8","2","","Shainyan, B. A.; Astakhova, V. V.; Ganin, A. S.; Moskalik, M. Yu; Sterkhova, I. V.","Oxidative addition/cycloaddition of arenesulfonamides and triflamide to N-allyltriflamide and N,N-diallyltriflamide","RSC Adv.","2017","7","62","38951","","10.1039/C7RA05831D","","","0.71073","MoKα","","0.0786","0.0431","","","0.0891","0.1031","","","","","","1.056","","","","has coordinates","301865","2025-08-22","16:17:16",""
"7228894","10.833","0.002","14.932","0.002","18.906","0.004","90","","90","","90","","3058.2","1","130","","130","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C8 H4 F2 N8 O11 -","- C8 H4 F2 N8 O11 -","- C64 H32 F16 N64 O88 -","8","0.5","","Ma, Qing; Lu, Zhipeng; Liao, Longyu; Huang, Jinglun; Liu, Dabin; Li, Jinshan; Fan, Guijuan","5,6-Di(2-fluoro-2,2-dinitroethoxy)furazano[3,4-b]pyrazine: a high performance melt-cast energetic material and its polycrystalline properties","RSC Adv.","2017","7","62","38844","","10.1039/C7RA07035G","","","0.71073","MoKα","","0.0888","0.0386","","","0.0705","0.086","","","","","","0.955","","","","has coordinates","199698","2020-10-21","18:00:00",""
"7228895","11.0371","0.0013","13.1237","0.0016","10.6684","0.0012","90","","90","","90","","1545.3","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H4 F2 N8 O11 -","- C8 H4 F2 N8 O11 -","- C32 H16 F8 N32 O44 -","4","1","","Ma, Qing; Lu, Zhipeng; Liao, Longyu; Huang, Jinglun; Liu, Dabin; Li, Jinshan; Fan, Guijuan","5,6-Di(2-fluoro-2,2-dinitroethoxy)furazano[3,4-b]pyrazine: a high performance melt-cast energetic material and its polycrystalline properties","RSC Adv.","2017","7","62","38844","","10.1039/C7RA07035G","","","0.71073","MoKα","","0.0674","0.0615","","","0.1542","0.1593","","","","","","1.074","","","","has coordinates","199698","2020-10-21","18:00:00",""
"7228896","10.8387","0.0017","7.0582","0.0011","16.911","0.003","90","","90","","90","","1293.7","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 Cl2 N4 O -","- C4 Cl2 N4 O -","- C32 Cl16 N32 O8 -","8","1","","Ma, Qing; Lu, Zhipeng; Liao, Longyu; Huang, Jinglun; Liu, Dabin; Li, Jinshan; Fan, Guijuan","5,6-Di(2-fluoro-2,2-dinitroethoxy)furazano[3,4-b]pyrazine: a high performance melt-cast energetic material and its polycrystalline properties","RSC Adv.","2017","7","62","38844","","10.1039/C7RA07035G","","","0.71073","MoKα","","0.0386","0.0328","","","0.0783","0.0836","","","","","","1.077","","","","has coordinates","199698","2020-10-21","18:00:00",""
"7228897","10.9222","0.0018","13.057","0.002","10.5202","0.0017","90","","90","","90","","1500.3","0.4","130","","130","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C8 H4 F2 N8 O11 -","- C8 H4 F2 N8 O11 -","- C32 H16 F8 N32 O44 -","4","1","","Ma, Qing; Lu, Zhipeng; Liao, Longyu; Huang, Jinglun; Liu, Dabin; Li, Jinshan; Fan, Guijuan","5,6-Di(2-fluoro-2,2-dinitroethoxy)furazano[3,4-b]pyrazine: a high performance melt-cast energetic material and its polycrystalline properties","RSC Adv.","2017","7","62","38844","","10.1039/C7RA07035G","","","0.71073","MoKα","","0.0383","0.0322","","","0.0795","0.0828","","","","","","1.055","","","","has coordinates","301865","2025-08-22","16:17:16",""
"7228898","10.991","0.005","13.475","0.005","13.856","0.005","64.503","0.005","75.699","0.005","66.929","0.005","1696.5","1.2","298","2","298","2","","","","","","","","8","P -1","-P 1","2","Ru-Terpy-dimethyl bipy","Ru-Terpy-dimethyl bipy","","- C34 H29 Cl F6 N5 P Ru S -","- C34 H29 Cl F6 N5 P Ru S -","- C68 H58 Cl2 F12 N10 P2 Ru2 S2 -","2","1","","Dhiman, Rekha; Singh, Namita; Ugale, Bharat; Nagaraja, C. M.","Synthesis, crystal structure and water oxidation activity of [Ru(terpy)(bipy)Cl]+ complexes: influence of ancillary ligands on O2 generation","RSC Adv.","2017","7","62","39325","","10.1039/C7RA07186H","","","0.71073","MoKα","","0.0539","0.0395","","","0.0919","0.0989","","","","","","1.049","","","","has coordinates","199714","2020-10-21","18:00:00",""
"7228899","13.0582","0.0006","19.8028","0.0009","11.9764","0.0006","90","","97.347","0.002","90","","3071.5","0.3","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","Ru-Terpy- bipy","Ru-Terpy-bipy","","- C32 H25 Cl F6 N5 P Ru S -","- C32 H25 Cl F6 N5 P Ru S -","- C128 H100 Cl4 F24 N20 P4 Ru4 S4 -","4","1","","Dhiman, Rekha; Singh, Namita; Ugale, Bharat; Nagaraja, C. M.","Synthesis, crystal structure and water oxidation activity of [Ru(terpy)(bipy)Cl]+ complexes: influence of ancillary ligands on O2 generation","RSC Adv.","2017","7","62","39325","","10.1039/C7RA07186H","","","0.71073","MoKα","","0.2014","0.0796","","","0.155","0.2026","","","","","","1.013","","","","has coordinates","199714","2020-10-21","18:00:00",""
"7228900","9.1901","0.0002","9.9832","0.0002","9.6509","0.0002","90","","115.463","0.001","90","","799.43","0.03","296","1","296","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N4 S2 -","- C18 H14 N4 S2 -","- C36 H28 N8 S4 -","2","0.5","","Meti, Puttavva; Gong, Young-Dae","2,6-Di(thiophenyl)-1,5-dihydrodipyrrolopyrazine (DT-DPP) structural isomers as donor‒acceptor‒donor molecules and their optoelectronic investigation","RSC Adv.","2017","7","62","39228","","10.1039/C7RA06270B","","","0.71073","MoKα","","0.0601","0.05","","","0.1389","0.1486","","","","","","1.054","","","","has coordinates,has disorder","199716","2020-10-21","18:00:00",""
"7228901","23.095","0.003","9.4325","0.0009","14.3653","0.0014","90","","114.589","0.003","90","","2845.6","0.5","150","","150","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C31 H34 Br N O3 -","- C31 H34 Br N O3 -","- C124 H136 Br4 N4 O12 -","4","1","","Zhang, Lili; Zhou, Xiao; Li, Pengfei; Liu, Zhantao; Liu, Yang; Sun, Yong; Li, Wenjun","Asymmetric synthesis of chromene skeletons via organocatalytic domino reactions of in situ generated ortho-quinone methide with malononitrile and β-functionalized ketone","RSC Adv.","2017","7","62","39216","","10.1039/C7RA08157J","","x-ray","0.71073","MoKα","","0.0742","0.0478","","","0.0875","0.0964","","","","","","1.057","","","","has coordinates","301865","2025-08-22","16:17:16",""
"7228902","10.441","0.0008","9.3621","0.0007","11.5467","0.0009","90","","93.816","0.002","90","","1126.18","0.15","170.03","","170.03","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H27 Br N2 O2 -","- C24 H27 Br N2 O2 -","- C48 H54 Br2 N4 O4 -","2","1","","Zhang, Lili; Zhou, Xiao; Li, Pengfei; Liu, Zhantao; Liu, Yang; Sun, Yong; Li, Wenjun","Asymmetric synthesis of chromene skeletons via organocatalytic domino reactions of in situ generated ortho-quinone methide with malononitrile and β-functionalized ketone","RSC Adv.","2017","7","62","39216","","10.1039/C7RA08157J","","","1.54178","CuKα","","0.0534","0.0533","","","0.1401","0.1402","","","","","","1.076","","","","has coordinates","301865","2025-08-22","16:17:16",""
"7228926","9.1034","0.0012","10.3247","0.0015","15.994","0.002","77.627","0.01","89.947","0.012","79.95","0.01","1444.8","0.3","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 F4 I N4 -","- C32 H29 F4 I N4 -","- C64 H58 F8 I2 N8 -","2","1","","Vapaavuori, Jaana; Siiskonen, Antti; Dichiarante, Valentina; Forni, Alessandra; Saccone, Marco; Pilati, Tullio; Pellerin, Christian; Shishido, Atsushi; Metrangolo, Pierangelo; Priimagi, Arri","Supramolecular control of liquid crystals by doping with halogen-bonding dyes","RSC Adv.","2017","7","64","40237","","10.1039/C7RA06397K","","","0.71073","MoKα","","0.0679","0.0487","","","0.1087","0.1182","","","","","","1.037","","","","has coordinates,has disorder","301865","2025-08-22","16:17:16",""
"7228927","5.4013","0.0008","8.2636","0.0013","17.057","0.003","90","","98.759","0.002","90","","752.4","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H14 Br N O5 -","- C16 H14 Br N O5 -","- C32 H28 Br2 N2 O10 -","2","1","","Zhou, Jing; Bai, Lijuan; Liang, Guojuan; Chen, Yongjie; Gan, Zongjie; Wang, Wu; Zhou, Hui; Yu, Yu","Organocatalytic asymmetric domino Michael/O-alkylation reaction for the construction of succinimide substituted 3(2H)-furanones catalyzed by quinine","RSC Adv.","2017","7","63","39885","","10.1039/C7RA07317H","","","0.71073","MoKα","","0.0536","0.0505","","","0.1446","0.1472","","","","","","1.044","","","","has coordinates","301865","2025-08-22","16:17:16",""
"7228928","10.2637","0.0011","12.3231","0.0014","12.7383","0.0014","97.156","0.001","107.733","0.001","112.991","0.001","1357.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H28 N4 O6 S2 -","- C25 H28 N4 O6 S2 -","- C50 H56 N8 O12 S4 -","2","1","","Du, Xuan-Xuan; Huang, Rong; Yang, Chang-Long; Lin, Jun; Yan, Sheng-Jiao","Synthesis and evaluation of the antitumor activity of highly functionalised pyridin-2-ones and pyrimidin-4-ones","RSC Adv.","2017","7","64","40067","","10.1039/C7RA06466G","","","0.71073","MoKα","","0.0834","0.0516","","","0.1439","0.1688","","","","","","1.052","","","","has coordinates","301865","2025-08-22","16:17:16",""
"7228929","5.033","0.004","14.483","0.012","19.14","0.016","90","","96.932","0.01","90","","1385","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N4 O3 S -","- C11 H14 N4 O3 S -","- C44 H56 N16 O12 S4 -","4","1","","Du, Xuan-Xuan; Huang, Rong; Yang, Chang-Long; Lin, Jun; Yan, Sheng-Jiao","Synthesis and evaluation of the antitumor activity of highly functionalised pyridin-2-ones and pyrimidin-4-ones","RSC Adv.","2017","7","64","40067","","10.1039/C7RA06466G","","","0.71073","MoKα","","0.098","0.0669","","","0.2032","0.228","","","","","","1.063","","","","has coordinates","301865","2025-08-22","16:17:16",""
"7228944","8.954","0.0004","8.9365","0.0005","10.4047","0.0005","90","","99.97","0.003","90","","819.98","0.07","296","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","(3aR,5aR,7aS,E)-2,3a,6,6-tetramethyl-3a,4,5,5a,6,7,7a,9,10,10a-decahydro-8H-cyclobuta[6,7]cyclonona[1,2-d]oxazol-8-one oxime","","- C16 H26 N2 O2 -","- C16 H26 N2 O2 -","- C32 H52 N4 O4 -","2","1","","Ma, Shuang-Jiang; Yu, Jie; Fan, Hua-Fang; Li, Zi-Han; Zhang, An-Ling; Zhang, Qiang","Exploring sesquiterpene alkaloid-like scaffolds via Beckmann-transannular remodelling of beta-caryophyllene","RSC Adv.","2017","7","64","40510","","10.1039/C7RA08196K","","","","","","0.04","0.0338","","","0.0923","0.0944","","","","","","1.056","","","","has coordinates","301865","2025-08-22","16:17:16",""
"7228945","8.1257","0.0008","10.335","0.001","16.0543","0.0015","90","","90","","90","","1348.2","0.2","293","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","MSJ42-11","","- C14 H23 N O2 -","- C14 H23 N O2 -","- C56 H92 N4 O8 -","4","1","","Ma, Shuang-Jiang; Yu, Jie; Fan, Hua-Fang; Li, Zi-Han; Zhang, An-Ling; Zhang, Qiang","Exploring sesquiterpene alkaloid-like scaffolds via Beckmann-transannular remodelling of beta-caryophyllene","RSC Adv.","2017","7","64","40510","","10.1039/C7RA08196K","","","1.54184","CuKα","","0.0422","0.0412","","","0.1187","0.1199","","","","","","1.083","","","","has coordinates","301865","2025-08-22","16:17:16",""
"7228957","10.4508","0.0008","24.9276","0.0018","9.8093","0.0008","90","","107.63","0.009","90","","2435.4","0.3","294.94","0.1","294.94","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 F N O -","- C14 H11 F N O -","- C112 H88 F8 N8 O8 -","8","1","","Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhang, Xiaohong; Zhou, Xiangge; Xiang, Haifeng","Chiral and non-conjugated fluorescent salen ligands: AIE, anion probes, chiral recognition of unprotected amino acids, and cell imaging applications","RSC Adv.","2017","7","64","40640","","10.1039/C7RA08267C","","x-ray","1.54184","CuKα","","0.0842","0.0716","","","0.1857","0.2091","","","","","","1.045","","","","has coordinates","301865","2025-08-22","16:17:16",""
"7228958","10.4917","0.0002","25.8936","0.0005","18.0444","0.0003","90","","92.0418","0.0017","90","","4898.97","0.16","136.12","0.18","136.12","0.18","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C28 H22 Cl2 N2 O2 -","- C28 H22 Cl2 N2 O2 -","- C224 H176 Cl16 N16 O16 -","8","1","","Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhang, Xiaohong; Zhou, Xiangge; Xiang, Haifeng","Chiral and non-conjugated fluorescent salen ligands: AIE, anion probes, chiral recognition of unprotected amino acids, and cell imaging applications","RSC Adv.","2017","7","64","40640","","10.1039/C7RA08267C","","x-ray","1.54184","CuKα","","0.0633","0.0572","","","0.1535","0.1628","","","","","","1.033","","","","has coordinates","301865","2025-08-22","16:17:16",""
"7228959","10.4661","0.0004","11.0082","0.0005","17.6201","0.0005","95.216","0.003","96.508","0.003","110.291","0.004","1873.25","0.14","293.28","0.1","293.28","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 F2 N2 O2 -","- C20 H20 F2 N2 O2 -","- C80 H80 F8 N8 O8 -","4","2","","Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhang, Xiaohong; Zhou, Xiangge; Xiang, Haifeng","Chiral and non-conjugated fluorescent salen ligands: AIE, anion probes, chiral recognition of unprotected amino acids, and cell imaging applications","RSC Adv.","2017","7","64","40640","","10.1039/C7RA08267C","","x-ray","1.54184","CuKα","","0.0605","0.0527","","","0.1518","0.1621","","","","","","1.04","","","","has coordinates","301865","2025-08-22","16:17:16",""
"7228960","11.1476","0.0002","11.1476","0.0002","38.1525","0.0008","90","","90","","120","","4105.98","0.14","294.33","0.1","294.33","0.1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C30 H30 F3 N3 O3 -","- C30 H30 F3 N3 O3 -","- C180 H180 F18 N18 O18 -","6","1","","Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhang, Xiaohong; Zhou, Xiangge; Xiang, Haifeng","Chiral and non-conjugated fluorescent salen ligands: AIE, anion probes, chiral recognition of unprotected amino acids, and cell imaging applications","RSC Adv.","2017","7","64","40640","","10.1039/C7RA08267C","","x-ray","1.54184","CuKα","","0.0491","0.0477","","","0.1236","0.1256","","","","","","1.094","","","","has coordinates","301865","2025-08-22","16:17:16",""
"7228961","11.14762","0.00019","11.14762","0.00019","38.1285","0.0006","90","","90","","120","","4103.41","0.12","294.33","0.1","294.33","0.1","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C30 H30 F3 N3 O3 -","- C30 H30 F3 N3 O3 -","- C180 H180 F18 N18 O18 -","6","1","","Shen, Guangyu; Gou, Fei; Cheng, Jinghui; Zhang, Xiaohong; Zhou, Xiangge; Xiang, Haifeng","Chiral and non-conjugated fluorescent salen ligands: AIE, anion probes, chiral recognition of unprotected amino acids, and cell imaging applications","RSC Adv.","2017","7","64","40640","","10.1039/C7RA08267C","","x-ray","1.54184","CuKα","","0.0574","0.0547","","","0.1489","0.1516","","","","","","1.107","","","","has coordinates","301865","2025-08-22","16:17:16",""
"7228962","22.906","0.003","6.7298","0.0015","11.236","0.003","90","","111.711","0.008","90","","1609.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 Cu2 N7 O0 S2 -","- C14 H9 Cu2 N7 S2 -","- C56 H36 Cu8 N28 S8 -","4","0.5","","Liu, Xi; Zhao, Zhen; Wang, Chun-Hai; Fu, Shan; Huang, Kun-Lin","Three pillared-layered inorganic‒organic hybrid polymers with efficient luminescence","RSC Adv.","2017","7","64","40632","","10.1039/C7RA07061F","","","0.71073","MoKα","","0.0392","0.0346","","","0.131","0.1409","","","","","","1.001","","","","has coordinates","199897","2020-10-21","18:00:00",""
"7228963","7.615","0.002","10.017","0.003","26.635","0.004","90","","94.229","0.005","90","","2026.2","0.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cd N8 O0 S2 -","- C16 H12 Cd N8 S2 -","- C64 H48 Cd4 N32 S8 -","4","1","","Liu, Xi; Zhao, Zhen; Wang, Chun-Hai; Fu, Shan; Huang, Kun-Lin","Three pillared-layered inorganic‒organic hybrid polymers with efficient luminescence","RSC Adv.","2017","7","64","40632","","10.1039/C7RA07061F","","","0.71073","MoKα","","0.0587","0.0454","","","0.1238","0.1331","","","","","","1.002","","","","has coordinates","199897","2020-10-21","18:00:00",""
"7228964","27.106","0.004","10.0401","0.0011","7.4419","0.001","90","","101.855","0.006","90","","1982.1","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 Cd N7 S2 -","- C14 H9 Cd N7 S2 -","- C56 H36 Cd4 N28 S8 -","4","0.5","","Liu, Xi; Zhao, Zhen; Wang, Chun-Hai; Fu, Shan; Huang, Kun-Lin","Three pillared-layered inorganic‒organic hybrid polymers with efficient luminescence","RSC Adv.","2017","7","64","40632","","10.1039/C7RA07061F","","","0.71073","MoKα","","0.0463","0.0422","","","0.1373","0.1496","","","","","","1.005","","","","has coordinates","199897","2020-10-21","18:00:00",""
"7228980","10.9995","0.0008","12.9029","0.0008","10.0701","0.0007","90","","111.081","0.002","90","","1333.55","0.16","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H7 F3 N2 O S -","- C14 H7 F3 N2 O S -","- C56 H28 F12 N8 O4 S4 -","4","1","","Wannebroucq, Amélie; Meunier-Prest, Rita; Chambron, Jean-Claude; Brachais, Claire-Hélène; Suisse, Jean-Moïse; Bouvet, Marcel","Synthesis and characterization of fluorophthalocyanines bearing four 2-(2-thienyl)ethoxy moieties: from the optimization of the fluorine substitution to chemosensing","RSC Adv.","2017","7","65","41272","","10.1039/C7RA05325H","","x-ray","0.71073","MoKα","","0.0857","0.0532","","","0.1096","0.1324","","","","","","1.037","","","","has coordinates,has disorder","199925","2020-10-21","18:00:00",""
"7228981","19.883","0.002","7.1179","0.0007","23.095","0.002","90","","90","","90","","3268.5","0.5","300","2","300","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H22 Fe N4 O2 -","- C17 H22 Fe N4 O2 -","- C136 H176 Fe8 N32 O16 -","8","1","","Tang, Yun-Zhi; Liu, Yi; Gao, Ji-Xing; Wang, Chang-Feng; Wang, Bin; Tan, Yu-Hui; Wen, He-Rui","Reversible structural phase transition, ferroelectric and switchable dielectric properties of an adduct molecule of hexamethylenetetramine ferrocene carboxylic acid","RSC Adv.","2017","7","66","41369","","10.1039/C7RA06429B","","","0.71073","MoKα","","0.2015","0.0796","","","0.129","0.1648","","","","","","1.025","","","","has coordinates","199940","2020-10-21","18:00:00",""
"7228982","22.958","0.002","7.0548","0.0006","19.5831","0.0017","90","","90","","90","","3171.8","0.5","110","2","110","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C17 H22 Fe N4 O2 -","- C17 H22 Fe N4 O2 -","- C136 H176 Fe8 N32 O16 -","8","2","","Tang, Yun-Zhi; Liu, Yi; Gao, Ji-Xing; Wang, Chang-Feng; Wang, Bin; Tan, Yu-Hui; Wen, He-Rui","Reversible structural phase transition, ferroelectric and switchable dielectric properties of an adduct molecule of hexamethylenetetramine ferrocene carboxylic acid","RSC Adv.","2017","7","66","41369","","10.1039/C7RA06429B","","","0.71073","MoKα","","0.0354","0.0335","","","0.0767","0.0777","","","","","","1.064","","","","has coordinates","202518","2020-10-21","18:00:00",""
"7228983","16.6846","0.0007","18.4587","0.0006","14.6183","0.0007","90","","114.144","0.005","90","","4108.2","0.3","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H52 Cl3 N O3 Ti2 -","- C43 H52 Cl3 N O3 Ti2 -","- C172 H208 Cl12 N4 O12 Ti8 -","4","1","","Yan, Qing; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis and structural analysis of aryloxo-modified trinuclear half-titanocenes, and their use as catalyst precursors for ethylene polymerisation","RSC Adv.","2017","7","66","41345","","10.1039/C7RA07581B","","","0.71073","MoKα","","0.0898","0.0553","","","0.1304","0.1477","","","","","","1.037","","","","has coordinates","199941","2020-10-21","18:00:00",""
"7228984","13.2258","0.0006","22.4804","0.0011","24.4338","0.0012","90","","99.642","0.004","90","","7162.1","0.6","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C69 H99 Cl6 N O3 Ti3 -","- C69 H99 Cl6 N O3 Ti3 -","- C276 H396 Cl24 N4 O12 Ti12 -","4","1","","Yan, Qing; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis and structural analysis of aryloxo-modified trinuclear half-titanocenes, and their use as catalyst precursors for ethylene polymerisation","RSC Adv.","2017","7","66","41345","","10.1039/C7RA07581B","","","0.71073","MoKα","","0.1132","0.0571","","","0.1101","0.133","","","","","","1.012","","","","has coordinates","199941","2020-10-21","18:00:00",""
"7228985","16.059","0.002","16.059","0.002","63.922","0.006","90","","90","","120","","14276","3","93","","93","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C42 H45 Cl6 N O3 Ti3 -","- C42 H45 Cl6 N O3 Ti3 -","- C504 H540 Cl72 N12 O36 Ti36 -","12","0.333333","","Yan, Qing; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis and structural analysis of aryloxo-modified trinuclear half-titanocenes, and their use as catalyst precursors for ethylene polymerisation","RSC Adv.","2017","7","66","41345","","10.1039/C7RA07581B","","","0.71073","MoKα","","0.1259","0.0982","","","0.2086","0.222","","","","","","1.096","","","","has coordinates","199941","2020-10-21","18:00:00",""
"7228986","24.4075","0.0013","24.4075","0.0013","23.4369","0.0016","90","","90","","120","","12091.4","1.2","93","","93","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H81 Cl6 N O3 Ti3 -","- C60 H81 Cl6 N O3 Ti3 -","- C360 H486 Cl36 N6 O18 Ti18 -","6","0.333333","","Yan, Qing; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis and structural analysis of aryloxo-modified trinuclear half-titanocenes, and their use as catalyst precursors for ethylene polymerisation","RSC Adv.","2017","7","66","41345","","10.1039/C7RA07581B","","","0.71073","MoKα","","0.1434","0.075","","","0.1975","0.2317","","","","","","0.984","","","","has coordinates","199941","2020-10-21","18:00:00",""
"7228987","19.9129","0.0004","19.9654","0.0003","20.169","0.0004","90","","98.7979","0.0019","90","","7924.2","0.3","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C81 H129 N O3 Ti3 -","- C81 H129 N O3 Ti3 -","- C324 H516 N4 O12 Ti12 -","4","1","","Yan, Qing; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis and structural analysis of aryloxo-modified trinuclear half-titanocenes, and their use as catalyst precursors for ethylene polymerisation","RSC Adv.","2017","7","66","41345","","10.1039/C7RA07581B","","","0.71073","MoKα","","0.0738","0.0579","","","0.1664","0.1774","","","","","","1.008","","","","has coordinates","199941","2020-10-21","18:00:00",""
"7228988","14.275","0.007","22.52","0.01","14.984","0.007","90","","100.408","0.006","90","","4738","4","273","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H60 Cl3 N O3 Ti2 -","- C47 H60 Cl3 N O3 Ti2 -","- C188 H240 Cl12 N4 O12 Ti8 -","4","1","","Yan, Qing; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis and structural analysis of aryloxo-modified trinuclear half-titanocenes, and their use as catalyst precursors for ethylene polymerisation","RSC Adv.","2017","7","66","41345","","10.1039/C7RA07581B","","","0.71075","MoKα","","0.0999","0.0721","","","0.1857","0.2152","","","","","","1.063","","","","has coordinates","199941","2020-10-21","18:00:00",""
"7228989","17.5836","0.0009","22.4075","0.001","21.6663","0.001","90","","94.814","0.004","90","","8506.5","0.7","93","","93","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H111 Cl6 N O3 Ti3 -","- C75 H111 Cl6 N O3 Ti3 -","- C300 H444 Cl24 N4 O12 Ti12 -","4","1","","Yan, Qing; Tsutsumi, Ken; Nomura, Kotohiro","Synthesis and structural analysis of aryloxo-modified trinuclear half-titanocenes, and their use as catalyst precursors for ethylene polymerisation","RSC Adv.","2017","7","66","41345","","10.1039/C7RA07581B","","","0.71073","MoKα","","0.1382","0.0757","","","0.191","0.2209","","","","","","0.945","","","","has coordinates","199941","2020-10-21","18:00:00",""
"7228990","12.14","0.0011","14.9259","0.0013","16.2591","0.0015","113.44","0.002","103.808","0.001","91.469","0.001","2600.8","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H74 Cl3 La O19 P4 -","- C26 H74 Cl3 La O19 P4 -","- C52 H148 Cl6 La2 O38 P8 -","2","1","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.0834","0.0468","","","0.108","0.1257","","","","","","0.998","","","","has coordinates","199965","2020-10-21","18:00:00",""
"7228991","10.4108","0.0012","15.3989","0.0016","18.8774","0.0019","84.974","0.002","81.811","0.001","76.228","0.001","2904.8","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H80 Cl3 Eu O22 P4 -","- C26 H80 Cl3 Eu O22 P4 -","- C52 H160 Cl6 Eu2 O44 P8 -","2","1","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.0893","0.0707","","","0.1853","0.1997","","","","","","1.066","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7228992","10.347","0.0007","15.1905","0.0013","18.6403","0.0018","85.087","0.002","82.352","0.001","76.5","0.001","2819","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H80 Cl3 O22 P4 Tb -","- C26 H80 Cl3 O22 P4 Tb -","- C52 H160 Cl6 O44 P8 Tb2 -","2","1","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.0545","0.0384","","","0.0901","0.097","","","","","","1.013","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7228993","10.6178","0.0011","20.6875","0.0019","23.129","0.003","90","","90","","90","","5080.4","1","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H72 Cl3 Nd O18 P4 -","- C26 H72 Cl3 Nd O18 P4 -","- C104 H288 Cl12 Nd4 O72 P16 -","4","1","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.0473","0.0346","","","0.0721","0.0794","","","","","","1.043","","","","has coordinates","199965","2020-10-21","18:00:00",""
"7228994","10.2541","0.0011","12.3626","0.0014","12.4492","0.0016","77.13","0.001","81.321","0.002","67.067","0.001","1413.3","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H86 Cl4 O24 P4 Sc2 -","- C28 H86 Cl4 O24 P4 Sc2 -","- C28 H86 Cl4 O24 P4 Sc2 -","1","0.5","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.1155","0.0711","","","0.2115","0.2474","","","","","","0.998","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7228995","10.415","0.001","15.6001","0.0016","18.1899","0.0019","89.38","0.002","75.53","0.001","74.232","0.001","2748.8","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H80 Cl3 Er O22 P4 -","- C26 H80 Cl3 Er O22 P4 -","- C52 H160 Cl6 Er2 O44 P8 -","2","1","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.1071","0.0803","","","0.1956","0.2187","","","","","","1.048","","","","has coordinates,has disorder","301865","2025-08-22","16:17:17",""
"7228996","10.339","0.0011","15.1721","0.0015","18.6529","0.0017","85.223","0.002","82.597","0.001","76.446","0.001","2816.5","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H80 Cl3 Gd O22 P4 -","- C26 H80 Cl3 Gd O22 P4 -","- C52 H160 Cl6 Gd2 O44 P8 -","2","1","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.1339","0.0944","","","0.2455","0.2657","","","","","","1.021","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7228997","12.3651","0.0011","13.0974","0.0013","16.4608","0.0015","69.506","0.001","68.145","0.001","77.605","0.002","2306.7","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H64 Cl3 Ho O14 P4 -","- C26 H64 Cl3 Ho O14 P4 -","- C52 H128 Cl6 Ho2 O28 P8 -","2","1","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.1153","0.0613","","","0.144","0.1834","","","","","","1.034","","","","has coordinates","199965","2020-10-21","18:00:00",""
"7228998","10.369","0.001","15.2349","0.0014","18.6571","0.0016","85.598","0.002","82.486","0.001","76.306","0.001","2835.7","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H80 Cl3 O22 P4 Sm -","- C26 H80 Cl3 O22 P4 Sm -","- C52 H160 Cl6 O44 P8 Sm2 -","2","1","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.061","0.0431","","","0.1182","0.1307","","","","","","1.116","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7228999","10.3287","0.0009","15.174","0.0018","18.563","0.002","85.156","0.002","82.257","0.001","76.148","0.001","2794.8","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H80 Cl3 Dy O22 P4 -","- C26 H80 Cl3 Dy O22 P4 -","- C52 H160 Cl6 Dy2 O44 P8 -","2","1","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.0651","0.0415","","","0.0935","0.1077","","","","","","1.062","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229000","11.978","0.003","13.572","0.003","16.458","0.004","97.679","0.002","109.533","0.001","109.94","0.002","2275.9","0.9","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H68 Ce Cl3 O16 P4 -","- C26 H68 Ce Cl3 O16 P4 -","- C52 H136 Ce2 Cl6 O32 P8 -","2","1","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.0474","0.0415","","","0.0833","0.0867","","","","","","0.999","","","","has coordinates","199965","2020-10-21","18:00:00",""
"7229001","12.3732","0.0014","15.054","0.0018","29.867","0.003","97.478","0.001","94.54","0.001","108.099","0.002","5200.6","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H132 Cl4 O31 P8 Pr2 -","- C52 H132 Cl4 O31 P8 Pr2 -","- C104 H264 Cl8 O62 P16 Pr4 -","2","1","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.1102","0.0629","","","0.1575","0.1763","","","","","","1.018","","","","has coordinates,has disorder","199965","2020-10-21","18:00:00",""
"7229002","12.2667","0.0011","13.8644","0.0013","16.75","0.002","99.039","0.001","108.566","0.002","110.314","0.002","2415","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H66 Cl3 La O16 P4 -","- C26 H66 Cl3 La O16 P4 -","- C52 H132 Cl6 La2 O32 P8 -","2","1","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.0708","0.0504","","","0.1273","0.1478","","","","","","1.07","","","","has coordinates","199965","2020-10-21","18:00:00",""
"7229003","13.8","0.0012","16.7321","0.0014","22.43","0.002","107.433","0.002","97.103","0.001","98.8","0.001","4803.6","0.7","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H68 Cl3 La O16 P4 -","- C26 H68 Cl3 La O16 P4 -","- C104 H272 Cl12 La4 O64 P16 -","4","2","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.1131","0.0397","","","0.0886","0.1402","","","","","","1.016","","","","has coordinates","199965","2020-10-21","18:00:00",""
"7229004","15.2938","0.0016","16.7518","0.0019","20.338","0.0017","90","","111.932","0.001","90","","4833.5","0.8","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H68 Cl3 O16 P4 Yb -","- C26 H68 Cl3 O16 P4 Yb -","- C104 H272 Cl12 O64 P16 Yb4 -","4","1","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.1136","0.0495","","","0.1067","0.1477","","","","","","1.137","","","","has coordinates","199965","2020-10-21","18:00:00",""
"7229005","10.383","0.001","15.2969","0.0014","18.6231","0.0018","85.654","0.002","82.401","0.001","76.246","0.001","2844.8","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H78 Cl3 Nd O22 P4 -","- C26 H78 Cl3 Nd O22 P4 -","- C52 H156 Cl6 Nd2 O44 P8 -","2","1","","Ma, Yan; Yang, Yong-Sheng; Jiang, Yu-Han; Li, Yue-Xue; Liu, Min; Li, Zhong-Feng; Han, Hong-Liang; Yang, Yu-Ping; Xin, Xiu-Lan; Jin, Qiong-Hua","Lanthanide contraction and chelating effect on a new family of lanthanide complexes with tetrakis(O-isopropyl)methyle-nediphosphonate: synthesis, structures and terahertz time-domain spectroscopy","RSC Adv.","2017","7","66","41651","","10.1039/C7RA07888A","","","0.71073","MoKα","","0.0997","0.0628","","","0.1596","0.1882","","","","","","1.04","","","","has coordinates,has disorder","199965","2020-10-21","18:00:00",""
"7229006","10.334","0.002","15.835","0.003","28.718","0.006","90","","103.504","0.006","90","","4569.5","1.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H50 N6 Ni O5 -","- C53 H50 N6 Ni O5 -","- C212 H200 N24 Ni4 O20 -","4","1","","Li, Yueqin; Yang, Zhiwei; Zhou, Minya; Li, Yun; He, Jing; Wang, Xuehong; Lin, Zhengfeng","Ni(ii) and Co(ii) complexes of an asymmetrical aroylhydrazone: synthesis, molecular structures, DNA binding, protein interaction, radical scavenging and cytotoxic activity","RSC Adv.","2017","7","66","41527","","10.1039/C7RA05504H","","","0.71073","MoKα","","0.0597","0.0384","","","0.1094","0.1281","","","","","","1.052","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229007","10.36","0.006","15.843","0.009","28.627","0.015","90","","103.66","0.018","90","","4566","4","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H50 Co N6 O5 -","- C53 H50 Co N6 O5 -","- C212 H200 Co4 N24 O20 -","4","1","","Li, Yueqin; Yang, Zhiwei; Zhou, Minya; Li, Yun; He, Jing; Wang, Xuehong; Lin, Zhengfeng","Ni(ii) and Co(ii) complexes of an asymmetrical aroylhydrazone: synthesis, molecular structures, DNA binding, protein interaction, radical scavenging and cytotoxic activity","RSC Adv.","2017","7","66","41527","","10.1039/C7RA05504H","","","0.71073","MoKα","","0.1513","0.0726","","","0.1862","0.2539","","","","","","0.972","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229008","7.84","0.003","12.067","0.005","14.22","0.006","87.101","0.006","77.634","0.006","89.744","0.007","1312.4","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H29 F I2 N4 O -","- C23 H29 F I2 N4 O -","- C46 H58 F2 I4 N8 O2 -","2","1","","Gu, Zhenyu; Li, Yanci; Ma, Songliang; Li, Shenghui; Zhou, Guoqiang; Ding, Shan; Zhang, Jinchao; Wang, Shuxiang; Zhou, Chuanqi","Synthesis, cytotoxic evaluation and DNA binding study of 9-fluoro-6H-indolo[2,3-b]quinoxaline derivatives","RSC Adv.","2017","7","66","41869","","10.1039/C7RA08138C","","","0.71073","MoKα","","0.0462","0.0342","","","0.0831","0.0883","","","","","","1.072","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229009","18.7049","0.0011","11.8936","0.0007","23.2743","0.0014","90","","90","","90","","5177.8","0.5","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C28 H42 N O2 Zn0.5 -","- C28 H42 N O2 Zn0.5 -","- C224 H336 N8 O16 Zn4 -","8","1","","Hollingsworth, Thilini S.; Hollingsworth, Ryan L.; Rosen, Tomer; Groysman, Stanislav","Zinc bimetallics supported by a xanthene-bridged dinucleating ligand: synthesis, characterization, and lactide polymerization studies","RSC Adv.","2017","7","66","41819","","10.1039/C7RA09207E","","","0.71073","MoKα","","0.0668","0.0375","","","0.0887","0.0957","","","","","","0.945","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229010","14.0407","0.0012","14.9293","0.0012","15.0232","0.0012","63.972","0.004","84.451","0.004","74.293","0.004","2723.2","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H74 N2 O3.5 -","- C61.08 H72 N2 O3.5 -","- C122.16 H144 N4 O7 -","2","1","","Hollingsworth, Thilini S.; Hollingsworth, Ryan L.; Rosen, Tomer; Groysman, Stanislav","Zinc bimetallics supported by a xanthene-bridged dinucleating ligand: synthesis, characterization, and lactide polymerization studies","RSC Adv.","2017","7","66","41819","","10.1039/C7RA09207E","","","0.71073","MoKα","","0.1548","0.0951","","","0.2489","0.2976","","","","","","1.001","","","","has coordinates,has disorder","200004","2020-10-21","18:00:00",""
"7229011","15.7195","0.0009","28.519","0.0017","30.8537","0.0018","90","","90","","90","","13831.9","1.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C72.13 H89 Li3 N2 O5.5 -","- C72.164 H86.246 Li3 N2 O5.5 -","- C577.312 H689.968 Li24 N16 O44 -","8","1","","Hollingsworth, Thilini S.; Hollingsworth, Ryan L.; Rosen, Tomer; Groysman, Stanislav","Zinc bimetallics supported by a xanthene-bridged dinucleating ligand: synthesis, characterization, and lactide polymerization studies","RSC Adv.","2017","7","66","41819","","10.1039/C7RA09207E","","","0.71073","MoKα","","0.1469","0.0887","","","0.2111","0.2421","","","","","","1.064","","","","has coordinates,has disorder","200004","2020-10-21","18:00:00",""
"7229012","15.2656","0.0007","24.0925","0.001","16.2518","0.0007","90","","91.554","0.002","90","","5975","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63.5 H78 N2 O5 Zn2 -","- C63.5 H78 N2 O5 Zn2 -","- C254 H312 N8 O20 Zn8 -","4","1","","Hollingsworth, Thilini S.; Hollingsworth, Ryan L.; Rosen, Tomer; Groysman, Stanislav","Zinc bimetallics supported by a xanthene-bridged dinucleating ligand: synthesis, characterization, and lactide polymerization studies","RSC Adv.","2017","7","66","41819","","10.1039/C7RA09207E","","","0.71073","MoKα","","0.1088","0.0467","","","0.0945","0.1059","","","","","","0.928","","","","has coordinates,has disorder","200004","2020-10-21","18:00:00",""
"7229013","9.918","0.0013","25.002","0.004","13.3687","0.0014","90","","97.84","0.005","90","","3284","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H54 Cl Li O3 Zn -","- C34 H54 Cl Li O3 Zn -","- C136 H216 Cl4 Li4 O12 Zn4 -","4","1","","Hollingsworth, Thilini S.; Hollingsworth, Ryan L.; Rosen, Tomer; Groysman, Stanislav","Zinc bimetallics supported by a xanthene-bridged dinucleating ligand: synthesis, characterization, and lactide polymerization studies","RSC Adv.","2017","7","66","41819","","10.1039/C7RA09207E","","","0.71073","MoKα","","0.0788","0.0561","","","0.1491","0.1571","","","","","","1.072","","","","has coordinates","200004","2020-10-21","18:00:00",""
"7229014","16.4922","0.0006","27.6893","0.0011","18.6758","0.0008","90","","113.206","0.002","90","","7838.4","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C72 H117 Cl4 Li2 N2 O7 Zn2 -","- C72 H110.7 Cl4 Li2 N2 O7 Zn2 -","- C288 H442.8 Cl16 Li8 N8 O28 Zn8 -","4","1","","Hollingsworth, Thilini S.; Hollingsworth, Ryan L.; Rosen, Tomer; Groysman, Stanislav","Zinc bimetallics supported by a xanthene-bridged dinucleating ligand: synthesis, characterization, and lactide polymerization studies","RSC Adv.","2017","7","66","41819","","10.1039/C7RA09207E","","","0.71073","MoKα","","0.1305","0.0607","","","0.1556","0.1766","","","","","","0.933","","","","has coordinates,has disorder","200004","2020-10-21","18:00:00",""
"7229015","14.0422","0.0016","14.7543","0.0018","16.4069","0.0019","94.571","0.006","107.133","0.005","106.102","0.005","3072.3","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C63 H90 N2 O4.5 Zn2 -","- C63 H88 N2 O4.5 Zn2 -","- C126 H176 N4 O9 Zn4 -","2","1","","Hollingsworth, Thilini S.; Hollingsworth, Ryan L.; Rosen, Tomer; Groysman, Stanislav","Zinc bimetallics supported by a xanthene-bridged dinucleating ligand: synthesis, characterization, and lactide polymerization studies","RSC Adv.","2017","7","66","41819","","10.1039/C7RA09207E","","","0.71073","MoKα","","0.1316","0.061","","","0.1532","0.1705","","","","","","0.961","","","","has coordinates,has disorder","200004","2020-10-21","18:00:00",""
"7229016","16.5356","0.0007","14.763","0.0006","19.9092","0.0008","90","","103.18","0.002","90","","4732.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","compound_L_anti","","","- C53 H72 N2 O3 -","- C53 H72 N2 O3 -","- C212 H288 N8 O12 -","4","1","","Hollingsworth, Thilini S.; Hollingsworth, Ryan L.; Rosen, Tomer; Groysman, Stanislav","Zinc bimetallics supported by a xanthene-bridged dinucleating ligand: synthesis, characterization, and lactide polymerization studies","RSC Adv.","2017","7","66","41819","","10.1039/C7RA09207E","","","0.71073","MoKα","","0.0806","0.0666","","","0.1853","0.1974","","","","","","1.028","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229017","29.7214","0.0018","22.1597","0.0018","10.344","0.0006","90","","109.183","0.004","90","","6434.5","0.8","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C70 H94 N2 O4 Zn -","- C70 H94 N2 O4 Zn -","- C280 H376 N8 O16 Zn4 -","4","1","","Hollingsworth, Thilini S.; Hollingsworth, Ryan L.; Rosen, Tomer; Groysman, Stanislav","Zinc bimetallics supported by a xanthene-bridged dinucleating ligand: synthesis, characterization, and lactide polymerization studies","RSC Adv.","2017","7","66","41819","","10.1039/C7RA09207E","","","0.71073","MoKα","","0.0662","0.0472","","","0.1219","0.1307","","","","","","1.018","","","","has coordinates,has disorder","200004","2020-10-21","18:00:00",""
"7229018","9.8335","0.0004","14.0885","0.0006","17.7805","0.0009","90","","90","","90","","2463.3","0.19","273","2","273.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","azido acetate","","- C22 H24 Cl3 N3 O5 -","- C22 H24 Cl3 N3 O5 -","- C88 H96 Cl12 N12 O20 -","4","1","","Chennaiah, Ande; Bhowmick, Srijita; Vankar, Yashwant D.","Conversion of glycals into vicinal-1,2-diazides and 1,2-(or 2,1)-azidoacetates using hypervalent iodine reagents and Me3SiN3. Application in the synthesis of N-glycopeptides, pseudo-trisaccharides and an iminosugar","RSC Adv.","2017","7","66","41755","","10.1039/C7RA08637G","","","0.71073","MoKα","","0.0866","0.0616","","","0.1616","0.1772","","","","","","1.201","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229019","10.8746","0.0007","9.356","0.0006","12.7699","0.0009","90","","108.166","0.002","90","","1234.49","0.14","273","2","273.15","","","","","","","","","4","P 1 21 1","P 2yb","4","Galctose diazide","","","- C27 H28 N6 O4 -","- C27 H28 N6 O4 -","- C54 H56 N12 O8 -","2","1","","Chennaiah, Ande; Bhowmick, Srijita; Vankar, Yashwant D.","Conversion of glycals into vicinal-1,2-diazides and 1,2-(or 2,1)-azidoacetates using hypervalent iodine reagents and Me3SiN3. Application in the synthesis of N-glycopeptides, pseudo-trisaccharides and an iminosugar","RSC Adv.","2017","7","66","41755","","10.1039/C7RA08637G","","","0.71073","MoKα","","0.1039","0.0572","","","0.1111","0.1351","","","","","","1.032","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229022","19.03","0.003","21.991","0.003","9.8034","0.0012","90","","102.551","0.007","90","","4004.6","1","296","2","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 N4 O -","- C36 H34 N4 O -","- C144 H136 N16 O4 -","4","1","","Qian, Lebin; Zhou, Yibin; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Gao, Wenxia; Ding, Jinchang; Wu, Huayue","Mechanofluorochromic properties of fluorescent molecules based on a dicyanomethylene-4H-pyran and indole isomer containing different alkyl chains via an alkene module","RSC Adv.","2017","7","67","42180","","10.1039/C7RA06951K","","","1.54178","CuKα","","0.1414","0.0978","","","0.2622","0.3153","","","","","","0.95","","","","has coordinates,has disorder","200024","2020-10-21","18:00:00",""
"7229023","9.885","0.005","13.056","0.006","15.4","0.008","70.424","0.008","80.392","0.009","68.547","0.008","1740.6","1.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H38 N4 O6 -","- C38 H38 N4 O6 -","- C76 H76 N8 O12 -","2","1","","Qian, Lebin; Zhou, Yibin; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Gao, Wenxia; Ding, Jinchang; Wu, Huayue","Mechanofluorochromic properties of fluorescent molecules based on a dicyanomethylene-4H-pyran and indole isomer containing different alkyl chains via an alkene module","RSC Adv.","2017","7","67","42180","","10.1039/C7RA06951K","","","0.71073","MoKα","","0.1275","0.0811","","","0.2091","0.2355","","","","","","1.037","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229024","10.461","0.0014","12.7008","0.0017","14.931","0.003","101.29","0.003","103.112","0.003","109.122","0.002","1745.1","0.5","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H38 N4 O6 -","- C38 H38 N4 O6 -","- C76 H76 N8 O12 -","2","1","","Qian, Lebin; Zhou, Yibin; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Gao, Wenxia; Ding, Jinchang; Wu, Huayue","Mechanofluorochromic properties of fluorescent molecules based on a dicyanomethylene-4H-pyran and indole isomer containing different alkyl chains via an alkene module","RSC Adv.","2017","7","67","42180","","10.1039/C7RA06951K","","","0.71073","MoKα","","0.1338","0.0724","","","0.2047","0.2363","","","","","","0.971","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229025","8.3257","0.0012","12.1141","0.0017","15.672","0.002","100.531","0.003","90.188","0.004","103.883","0.003","1506.8","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H34 N4 O -","- C36 H34 N4 O -","- C72 H68 N8 O2 -","2","1","","Qian, Lebin; Zhou, Yibin; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Gao, Wenxia; Ding, Jinchang; Wu, Huayue","Mechanofluorochromic properties of fluorescent molecules based on a dicyanomethylene-4H-pyran and indole isomer containing different alkyl chains via an alkene module","RSC Adv.","2017","7","67","42180","","10.1039/C7RA06951K","","","0.71073","MoKα","","0.1608","0.0832","","","0.1684","0.2008","","","","","","1.054","","","","has coordinates,has disorder","301865","2025-08-22","16:17:17",""
"7229026","39.856","0.003","8.1733","0.0004","19.7806","0.001","90","","106.633","0.002","90","","6174","0.6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H34 N4 O -","- C36 H34 N4 O -","- C288 H272 N32 O8 -","8","1","","Qian, Lebin; Zhou, Yibin; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Gao, Wenxia; Ding, Jinchang; Wu, Huayue","Mechanofluorochromic properties of fluorescent molecules based on a dicyanomethylene-4H-pyran and indole isomer containing different alkyl chains via an alkene module","RSC Adv.","2017","7","67","42180","","10.1039/C7RA06951K","","","1.54178","CuKα","","0.1746","0.0793","","","0.2138","0.2966","","","","","","0.913","","","","has coordinates,has disorder","301865","2025-08-22","16:17:17",""
"7229027","11.5539","0.0004","17.9477","0.0006","17.9799","0.0005","105.002","0.002","96.23","0.002","99.152","0.002","3511.4","0.2","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H34 N4 O -","- C36 H34 N4 O -","- C144 H136 N16 O4 -","4","2","","Qian, Lebin; Zhou, Yibin; Liu, Miaochang; Huang, Xiaobo; Wu, Ge; Gao, Wenxia; Ding, Jinchang; Wu, Huayue","Mechanofluorochromic properties of fluorescent molecules based on a dicyanomethylene-4H-pyran and indole isomer containing different alkyl chains via an alkene module","RSC Adv.","2017","7","67","42180","","10.1039/C7RA06951K","","","1.54178","CuKα","","0.1375","0.0917","","","0.2407","0.2779","","","","","","0.954","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229028","10.2425","0.0002","11.222","0.0003","13.7847","0.0003","112.293","0.002","92.6647","0.0018","104.094","0.002","1404.75","0.06","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","3b","","- C16 H11 Cl N2 O2 -","- C16 H11 Cl N2 O2 -","- C64 H44 Cl4 N8 O8 -","4","2","","Park, Yongseok; Fei, Xiang; Yuan, Yue; Lee, Sanha; Hur, Joonseong; Park, Sung Jean; Jung, Jae-Kyung; Seo, Seung-Yong","Chemoselective acylation of 2-amino-8-quinolinol in the generation of C2-amides or C8-esters","RSC Adv.","2017","7","67","41955","","10.1039/C7RA05287A","","x-ray","1.54184","CuKα","","0.0436","0.0391","","","0.1099","0.1142","","","","","","1.068","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229029","17.841","0.004","8.9458","0.0016","18.773","0.003","90","","94.309","0.015","90","","2987.7","1","297","0.3","297","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3f","SG-HQ1","","- C37 H30 N2 O5 -","- C37 H30 N2 O5 -","- C148 H120 N8 O20 -","4","1","","Park, Yongseok; Fei, Xiang; Yuan, Yue; Lee, Sanha; Hur, Joonseong; Park, Sung Jean; Jung, Jae-Kyung; Seo, Seung-Yong","Chemoselective acylation of 2-amino-8-quinolinol in the generation of C2-amides or C8-esters","RSC Adv.","2017","7","67","41955","","10.1039/C7RA05287A","","x-ray","1.54184","CuKα","","0.1821","0.1176","","","0.3203","0.3937","","","","","","1.069","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229030","23.1622","0.0003","3.828","0.0001","31.4881","0.0003","90","","99.68","0.001","90","","2752.14","0.08","293.3","0.3","293.3","0.3","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","4b","","- C16 H11 Cl N2 O2 -","- C16 H11 Cl N2 O2 -","- C128 H88 Cl8 N16 O16 -","8","1","","Park, Yongseok; Fei, Xiang; Yuan, Yue; Lee, Sanha; Hur, Joonseong; Park, Sung Jean; Jung, Jae-Kyung; Seo, Seung-Yong","Chemoselective acylation of 2-amino-8-quinolinol in the generation of C2-amides or C8-esters","RSC Adv.","2017","7","67","41955","","10.1039/C7RA05287A","","x-ray","1.54184","CuKα","","0.0446","0.0436","","","0.1261","0.1273","","","","","","1.041","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229031","6.2203","0.0008","16.092","0.002","9.4123","0.0014","90","","102.898","0.004","90","","918.4","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H34 O2 -","- C20 H34 O2 -","- C40 H68 O4 -","2","1","","Rehman, Najeeb Ur; Hussain, Hidayat; Al-Shidhani, Sulaiman; Avula, Satya Kumar; Abbas, Ghulam; Anwar, Muhammad Usman; Górecki, Marcin; Pescitelli, Gennaro; Al-Harrasi, Ahmed","Incensfuran: isolation, X-ray crystal structure and absolute configuration by means of chiroptical studies in solution and solid state","RSC Adv.","2017","7","67","42357","","10.1039/C7RA07351H","","","0.71073","MoKα","","0.069","0.0519","","","0.1259","0.138","","","","","","0.951","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229035","10.543","0.008","11.218","0.009","19.322","0.016","85.354","0.017","74.292","0.015","78.481","0.016","2155","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H49.5 N6.5 O5 -","- C46 H48 N6.5 O5 -","- C92 H96 N13 O10 -","2","1","","Xu, Zhou-Qing; Mao, Xian-Jie; Wang, Yuan; Wu, Wei-Na; Mao, Pan-Dong; Zhao, Xiao-Lei; Fan, Yun-Chang; Li, Hui-Jun","Rhodamine 6G hydrazone with coumarin unit: a novel single-molecule multianalyte (Cu2+ and Hg2+) sensor at different pH value","RSC Adv.","2017","7","67","42312","","10.1039/C7RA05424F","","","0.71073","MoKα","","0.2663","0.0731","","","0.1166","0.1554","","","","","","1.028","","","","has coordinates","200121","2020-10-21","18:00:00",""
"7229036","8.7443","0.001","11.961","0.0014","13.2912","0.0013","79.913","0.003","70.808","0.003","75.349","0.004","1263.7","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H19 Cl2 N O3 S -","- C31 H19 Cl2 N O3 S -","- C62 H38 Cl4 N2 O6 S2 -","2","1","","Jiang, Wang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of benzo[d]chromeno[3′,4′:3,4]pyrrolo[2,1-b]thiazoles via cycloaddition reaction of benzothiazolium salts with 3-nitrochromenes","RSC Adv.","2017","7","67","42387","","10.1039/C7RA06548E","","","0.71073","MoKα","","0.0896","0.0476","","","0.1058","0.1142","","","","","","1.067","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229037","11.591","0.0012","13.1205","0.0013","20.4645","0.0018","90","","118.012","0.005","90","","2747.6","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 Br Cl N2 O4 S -","- C31 H22 Br Cl N2 O4 S -","- C124 H88 Br4 Cl4 N8 O16 S4 -","4","1","","Jiang, Wang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of benzo[d]chromeno[3′,4′:3,4]pyrrolo[2,1-b]thiazoles via cycloaddition reaction of benzothiazolium salts with 3-nitrochromenes","RSC Adv.","2017","7","67","42387","","10.1039/C7RA06548E","","","0.71073","MoKα","","0.0482","0.0353","","","0.0882","0.093","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229038","12.9531","0.0011","13.3809","0.0011","15.639","0.0014","90","","106.449","0.003","90","","2599.7","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Cl N O3 S -","- C32 H22 Cl N O3 S -","- C128 H88 Cl4 N4 O12 S4 -","4","1","","Jiang, Wang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of benzo[d]chromeno[3′,4′:3,4]pyrrolo[2,1-b]thiazoles via cycloaddition reaction of benzothiazolium salts with 3-nitrochromenes","RSC Adv.","2017","7","67","42387","","10.1039/C7RA06548E","","","0.71073","MoKα","","0.1577","0.0923","","","0.2705","0.3078","","","","","","1.059","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229039","14.6578","0.0007","10.9282","0.0005","16.4917","0.0008","90","","111.754","0.0015","90","","2453.6","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cl2 N2 O5 S -","- C26 H20 Cl2 N2 O5 S -","- C104 H80 Cl8 N8 O20 S4 -","4","1","","Jiang, Wang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of benzo[d]chromeno[3′,4′:3,4]pyrrolo[2,1-b]thiazoles via cycloaddition reaction of benzothiazolium salts with 3-nitrochromenes","RSC Adv.","2017","7","67","42387","","10.1039/C7RA06548E","","","0.71073","MoKα","","0.0576","0.0405","","","0.0985","0.1045","","","","","","1.066","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229040","11.643","0.002","13.163","0.003","20.446","0.004","90","","118.101","0.01","90","","2764.1","1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H25 Br N2 O4 S -","- C32 H25 Br N2 O4 S -","- C128 H100 Br4 N8 O16 S4 -","4","1","","Jiang, Wang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of benzo[d]chromeno[3′,4′:3,4]pyrrolo[2,1-b]thiazoles via cycloaddition reaction of benzothiazolium salts with 3-nitrochromenes","RSC Adv.","2017","7","67","42387","","10.1039/C7RA06548E","","","0.71073","MoKα","","0.0537","0.0361","","","0.0839","0.0886","","","","","","1.034","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229041","12.3329","0.0012","13.861","0.0012","16.0666","0.0015","90","","106.912","0.003","90","","2627.7","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Br N O4 S -","- C32 H22 Br N O4 S -","- C128 H88 Br4 N4 O16 S4 -","4","1","","Jiang, Wang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of benzo[d]chromeno[3′,4′:3,4]pyrrolo[2,1-b]thiazoles via cycloaddition reaction of benzothiazolium salts with 3-nitrochromenes","RSC Adv.","2017","7","67","42387","","10.1039/C7RA06548E","","","0.71073","MoKα","","0.1076","0.052","","","0.1287","0.1475","","","","","","0.943","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229042","11.303","0.002","12.821","0.002","20.763","0.003","90","","116.403","0.007","90","","2695","0.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 Br N2 O4 S -","- C31 H23 Br N2 O4 S -","- C124 H92 Br4 N8 O16 S4 -","4","1","","Jiang, Wang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of benzo[d]chromeno[3′,4′:3,4]pyrrolo[2,1-b]thiazoles via cycloaddition reaction of benzothiazolium salts with 3-nitrochromenes","RSC Adv.","2017","7","67","42387","","10.1039/C7RA06548E","","","0.71073","MoKα","","0.0744","0.0491","","","0.127","0.1534","","","","","","0.996","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229043","16.7535","0.0018","7.6164","0.0008","24.693","0.0019","90","","120.576","0.005","90","","2712.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 Br N2 O5 S -","- C31 H23 Br N2 O5 S -","- C124 H92 Br4 N8 O20 S4 -","4","1","","Jiang, Wang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of benzo[d]chromeno[3′,4′:3,4]pyrrolo[2,1-b]thiazoles via cycloaddition reaction of benzothiazolium salts with 3-nitrochromenes","RSC Adv.","2017","7","67","42387","","10.1039/C7RA06548E","","","0.71073","MoKα","","0.0737","0.0394","","","0.097","0.1093","","","","","","1.039","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229044","12.9498","0.0008","13.3015","0.0009","15.8317","0.001","90","","106.084","0.002","90","","2620.3","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Br N O3 S -","- C32 H22 Br N O3 S -","- C128 H88 Br4 N4 O12 S4 -","4","1","","Jiang, Wang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of benzo[d]chromeno[3′,4′:3,4]pyrrolo[2,1-b]thiazoles via cycloaddition reaction of benzothiazolium salts with 3-nitrochromenes","RSC Adv.","2017","7","67","42387","","10.1039/C7RA06548E","","","0.71073","MoKα","","0.1091","0.06","","","0.1739","0.192","","","","","","1.054","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229070","12.7235","0.0011","15.6788","0.0014","22.7752","0.0019","90","","90","","90","","4543.4","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H68 N5 Si2 Y -","- C42 H68 N5 Si2 Y -","- C168 H272 N20 Si8 Y4 -","4","1","","Miao, Hui; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Wei, Yun; Yuan, Qingbing; Mu, Xiaolong","Synthesis, characterization and catalytic activity of rare-earth metal amides incorporating cyclohexyl bridged bis(β-diketiminato) ligands","RSC Adv.","2017","7","68","42792","","10.1039/C7RA07565K","","","0.71073","MoKα","","0.0864","0.0519","","","0.1331","0.1564","","","","","","0.947","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229071","12.5546","0.0011","15.7504","0.0014","22.813","0.002","90","","90","","90","","4511","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H68 N5 Si2 Yb -","- C42 H68 N5 Si2 Yb -","- C168 H272 N20 Si8 Yb4 -","4","1","","Miao, Hui; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Wei, Yun; Yuan, Qingbing; Mu, Xiaolong","Synthesis, characterization and catalytic activity of rare-earth metal amides incorporating cyclohexyl bridged bis(β-diketiminato) ligands","RSC Adv.","2017","7","68","42792","","10.1039/C7RA07565K","","","0.71073","MoKα","","0.0382","0.0311","","","0.0693","0.073","","","","","","0.936","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229072","12.4507","0.0011","16.3478","0.0015","22.55","0.002","90","","90","","90","","4589.9","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H68 N5 Nd Si2 -","- C42 H68 N5 Nd Si2 -","- C168 H272 N20 Nd4 Si8 -","4","1","","Miao, Hui; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Wei, Yun; Yuan, Qingbing; Mu, Xiaolong","Synthesis, characterization and catalytic activity of rare-earth metal amides incorporating cyclohexyl bridged bis(β-diketiminato) ligands","RSC Adv.","2017","7","68","42792","","10.1039/C7RA07565K","","","0.71073","MoKα","","0.0442","0.0367","","","0.0998","0.1075","","","","","","0.907","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229073","12.7402","0.0009","15.6814","0.0011","22.7852","0.0016","90","","90","","90","","4552.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H68 Dy N5 Si2 -","- C42 H68 Dy N5 Si2 -","- C168 H272 Dy4 N20 Si8 -","4","1","","Miao, Hui; Wang, Shaowu; Zhu, Xiancui; Zhou, Shuangliu; Wei, Yun; Yuan, Qingbing; Mu, Xiaolong","Synthesis, characterization and catalytic activity of rare-earth metal amides incorporating cyclohexyl bridged bis(β-diketiminato) ligands","RSC Adv.","2017","7","68","42792","","10.1039/C7RA07565K","","","0.71073","MoKα","","0.0419","0.0334","","","0.0917","0.0982","","","","","","1.01","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229079","8.9201","0.0002","29.7303","0.0008","7.2074","0.00019","90","","97.79","0.003","90","","1893.74","0.08","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DFX-H2O","","- C21 H17 N3 O5 -","- C21 H17 N3 O5 -","- C84 H68 N12 O20 -","4","1","","Du, Qiaohong; Xiong, Xinnuo; Suo, Zili; Tang, Peixiao; He, Jiawei; Zeng, Xia; Hou, Quan; Li, Hui","Investigation of the solid forms of deferasirox: solvate, co-crystal, and amorphous form","RSC Adv.","2017","7","68","43151","","10.1039/C7RA08077H","","x-ray","0.71073","MoKα","","0.0546","0.0432","","","0.0991","0.1076","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229080","8.9013","0.0004","33.2054","0.0014","7.7293","0.0003","90","","94.21","0.004","90","","2278.39","0.17","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DFX-DMF","","- C24 H22 N4 O5 -","- C24 H22 N4 O5 -","- C96 H88 N16 O20 -","4","1","","Du, Qiaohong; Xiong, Xinnuo; Suo, Zili; Tang, Peixiao; He, Jiawei; Zeng, Xia; Hou, Quan; Li, Hui","Investigation of the solid forms of deferasirox: solvate, co-crystal, and amorphous form","RSC Adv.","2017","7","68","43151","","10.1039/C7RA08077H","","x-ray","0.71073","MoKα","","0.0737","0.0532","","","0.128","0.1456","","","","","","1.046","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229081","21.5782","0.0006","8.4837","0.0002","37.8874","0.0012","90","","101.377","0.003","90","","6799.5","0.3","293","2","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","DFX-2INA","","- C33 H27 N7 O6 -","- C33 H27 N7 O6 -","- C264 H216 N56 O48 -","8","1","","Du, Qiaohong; Xiong, Xinnuo; Suo, Zili; Tang, Peixiao; He, Jiawei; Zeng, Xia; Hou, Quan; Li, Hui","Investigation of the solid forms of deferasirox: solvate, co-crystal, and amorphous form","RSC Adv.","2017","7","68","43151","","10.1039/C7RA08077H","","x-ray","0.71073","MoKα","","0.0586","0.0483","","","0.1212","0.1281","","","","","","1.03","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229082","9.3205","0.0003","36.1503","0.001","7.1171","0.0003","90","","100.206","0.003","90","","2360.08","0.14","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","DFX-INA","","- C27 H21 N5 O5 -","- C27 H21 N5 O5 -","- C108 H84 N20 O20 -","4","1","","Du, Qiaohong; Xiong, Xinnuo; Suo, Zili; Tang, Peixiao; He, Jiawei; Zeng, Xia; Hou, Quan; Li, Hui","Investigation of the solid forms of deferasirox: solvate, co-crystal, and amorphous form","RSC Adv.","2017","7","68","43151","","10.1039/C7RA08077H","","x-ray","0.71073","MoKα","","0.072","0.0558","","","0.1214","0.1297","","","","","","1.085","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229146","10.6406","0.0019","14.908","0.003","15.474","0.003","90","","94.207","0.002","90","","2448","0.8","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H23 N -","- C33 H23 N -","- C132 H92 N4 -","4","1","","Zhao, Fei; Fan, Congbin; Chen, Zhao; Liu, Gang; Pu, Shouzhi","Cyanobenzene-containing tetraphenylethene derivatives with aggregation-induced emission and self-recovering mechanofluorochromic characteristics","RSC Adv.","2017","7","69","43845","","10.1039/C7RA08248G","","","0.71073","MoKα","","0.1065","0.0529","","","0.1213","0.1523","","","","","","1.011","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229147","10.5396","0.0017","10.8992","0.0017","11.6905","0.0018","75.586","0.002","72.924","0.002","75.975","0.002","1222.4","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H23 N -","- C33 H23 N -","- C66 H46 N2 -","2","1","","Zhao, Fei; Fan, Congbin; Chen, Zhao; Liu, Gang; Pu, Shouzhi","Cyanobenzene-containing tetraphenylethene derivatives with aggregation-induced emission and self-recovering mechanofluorochromic characteristics","RSC Adv.","2017","7","69","43845","","10.1039/C7RA08248G","","","0.71073","MoKα","","0.0649","0.0423","","","0.104","0.1199","","","","","","1.021","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229148","6.03713","0.00008","20.9196","0.0003","18.2183","0.0003","90","","96.0714","0.0014","90","","2287.96","0.06","291","2","291.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H21 N O2 -","- C31 H21 N O2 -","- C124 H84 N4 O8 -","4","1","","Xue, LuLu; Cheng, Guolin; Zhu, Ruifeng; Cui, Xiuling","Acid-promoted oxidative methylenation of 1,3-dicarbonyl compounds with DMSO: application to the three-component synthesis of Hantzsch-type pyridines","RSC Adv.","2017","7","69","44009","","10.1039/C7RA07442E","","","1.54184","CuKα","","0.0474","0.041","","","0.1066","0.1125","","","","","","1.043","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229149","12.8374","0.0003","10.8913","0.0003","24.3599","0.0006","90","","99.441","0.002","90","","3359.77","0.15","102.8","","102.8","","","","","","","","","3","P 1 21 1","P 2yb","4","","secopierisformoside G","","- C32 H48 O16 -","- C32 H42 O16 -","- C128 H168 O64 -","4","2","","Niu, Chang-Shan; Li, Yong; Liu, Yun-Bao; Ma, Shuang-Gang; Liu, Fei; Li, Li; Xu, Song; Wang, Xiao-Jing; Liu, Sheng; Wang, Ru-Bing; Qu, Jing; Yu, Shi-Shan","Biological and chemical guided isolation of 3,4-secograyanane diterpenoids from the roots of Pieris formosa","RSC Adv.","2017","7","69","43921","","10.1039/C7RA08635K","","","1.5418","CuKα","","0.0635","0.0592","","","0.1599","0.1658","","","","","","1.038","","","","has coordinates","200819","2020-10-21","18:00:00",""
"7229150","8.6705","0.0004","18.615","0.0009","18.7494","0.0007","64.176","0.004","89.183","0.003","76.713","0.004","2638.3","0.2","104.3","","104.3","","","","","","","","","3","P 1","P 1","1","","secopierisformoside A","","- C33 H44 O16 -","- C33 H44 O16 -","- C99 H132 O48 -","3","3","","Niu, Chang-Shan; Li, Yong; Liu, Yun-Bao; Ma, Shuang-Gang; Liu, Fei; Li, Li; Xu, Song; Wang, Xiao-Jing; Liu, Sheng; Wang, Ru-Bing; Qu, Jing; Yu, Shi-Shan","Biological and chemical guided isolation of 3,4-secograyanane diterpenoids from the roots of Pieris formosa","RSC Adv.","2017","7","69","43921","","10.1039/C7RA08635K","","","1.5418","CuKα","","0.0467","0.0444","","","0.1138","0.1165","","","","","","1.02","","","","has coordinates,has disorder","200819","2020-10-21","18:00:00",""
"7229151","11.0687","0.0002","12.2272","0.0004","23.802","0.0005","90","","90","","90","","3221.34","0.14","102.3","","102.3","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","secopierisformoside K","","- C31 H46 O16 -","- C31 H46 O16 -","- C124 H184 O64 -","4","1","","Niu, Chang-Shan; Li, Yong; Liu, Yun-Bao; Ma, Shuang-Gang; Liu, Fei; Li, Li; Xu, Song; Wang, Xiao-Jing; Liu, Sheng; Wang, Ru-Bing; Qu, Jing; Yu, Shi-Shan","Biological and chemical guided isolation of 3,4-secograyanane diterpenoids from the roots of Pieris formosa","RSC Adv.","2017","7","69","43921","","10.1039/C7RA08635K","","","1.5418","CuKα","","0.0512","0.048","","","0.1234","0.1273","","","","","","1.051","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229152","12.7605","0.0003","15.5108","0.0005","16.9324","0.0004","90","","90","","90","","3351.35","0.16","102.8","","102.8","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","secopierisformoside N","","- C32 H42 O15.26 -","- C32 H42 O15.263 -","- C128 H168 O61.052 -","4","1","","Niu, Chang-Shan; Li, Yong; Liu, Yun-Bao; Ma, Shuang-Gang; Liu, Fei; Li, Li; Xu, Song; Wang, Xiao-Jing; Liu, Sheng; Wang, Ru-Bing; Qu, Jing; Yu, Shi-Shan","Biological and chemical guided isolation of 3,4-secograyanane diterpenoids from the roots of Pieris formosa","RSC Adv.","2017","7","69","43921","","10.1039/C7RA08635K","","","1.5418","CuKα","","0.0388","0.0366","","","0.0931","0.0951","","","","","","1.031","","","","has coordinates,has disorder","200819","2020-10-21","18:00:00",""
"7229153","10.495","0.003","10.849","0.003","12.002","0.004","93.109","0.007","103.855","0.007","104.76","0.008","1273.3","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H24 B F4 N4 O2 S -","- C27 H23 B F4 N4 O2 S -","- C54 H46 B2 F8 N8 O4 S2 -","2","1","","Wang, Bin-Yong; Chen, Zhi-Qiang; Huang, Hongwei; Cao, Qian-Yong","Fluorescent triazolium for sensing fluoride anions in semi-aqueous solution","RSC Adv.","2017","7","69","43950","","10.1039/C7RA08607E","","","0.71073","MoKα","","0.1496","0.0932","","","0.2497","0.2924","","","","","","1.029","","","","has coordinates","200820","2020-10-21","18:00:00",""
"7229168","10.5489","0.0009","10.8247","0.0009","21.7672","0.0019","99.053","0.002","101.429","0.002","105.634","0.002","2286.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47.5 H26.5 Eu F9 N O7 S3 -","- C47.5 H26.5 Eu F9 N O7 S3 -","- C95 H53 Eu2 F18 N2 O14 S6 -","2","1","","Abbas, Zafar; Dasari, Srikanth; Patra, Ashis K.","Ternary Eu(iii) and Tb(iii) β-diketonate complexes containing chalcones: photophysical studies and biological outlook","RSC Adv.","2017","7","70","44272","","10.1039/C7RA08543E","","","0.71073","MoKα","","0.0806","0.0663","","","0.1726","0.1867","","","","","","1.109","","","","has coordinates","200882","2020-10-21","18:00:00",""
"7229174","9.0551","0.0007","9.1409","0.0007","11.4606","0.0008","105.286","0.007","90.508","0.006","104.462","0.007","883.22","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Cl2 N2 O2 Ti -","- C16 H18 Cl2 N2 O2 Ti -","- C32 H36 Cl4 N4 O4 Ti2 -","2","1","","Wu, Rong-Hui; Wu, Jing; Yu, Ming-Xin; Zhu, Long-Guan","Ti(Phen)(OC2H5)2Cl2: a highly efficient pre-catalyst for selective oxidation of organic sulfides to sulfoxides by hydrogen peroxide","RSC Adv.","2017","7","70","44259","","10.1039/C7RA06883B","","","0.71073","MoKα","","0.1025","0.059","","","0.1392","0.1738","","","","","","1.048","","","","has coordinates","200919","2020-10-21","18:00:00",""
"7229228","9.2108","0.0006","11.4244","0.0006","11.4731","0.0007","68.214","0.002","87.658","0.002","69.9597","0.0019","1048.01","0.11","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H15 Br2 N O2 -","- C25 H15 Br2 N O2 -","- C50 H30 Br4 N2 O4 -","2","1","","Manjappa, Kiran B.; Peng, Yu-Ting; Liou, Teau-Jiuan; Yang, Ding-Yah","Pseudo three-component approach to coumarin-annulated azepines: synthesis of coumarin[3,4-b]azepines","RSC Adv.","2017","7","72","45269","","10.1039/C7RA09289J","","x-ray","0.71073","MoKα","","0.0838","0.0663","","","0.1603","0.1708","","","","","","1.076","","","","has coordinates,has disorder","301865","2025-08-22","16:17:17",""
"7229229","9.2739","0.0008","10.1856","0.0011","11.5874","0.0008","97.047","0.007","107.405","0.007","115.973","0.009","896.95","0.18","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 N O2 -","- C25 H17 N O2 -","- C50 H34 N2 O4 -","2","1","","Manjappa, Kiran B.; Peng, Yu-Ting; Liou, Teau-Jiuan; Yang, Ding-Yah","Pseudo three-component approach to coumarin-annulated azepines: synthesis of coumarin[3,4-b]azepines","RSC Adv.","2017","7","72","45269","","10.1039/C7RA09289J","","x-ray","0.71073","MoKα","","0.0655","0.0471","","","0.1055","0.1192","","","","","","1.026","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229230","7.7587","0.0004","9.5337","0.0005","11.8411","0.0005","69.6858","0.0015","82.1641","0.0016","76.8271","0.0016","798.21","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H13 N O4 -","- C21 H13 N O4 -","- C42 H26 N2 O8 -","2","1","","Manjappa, Kiran B.; Peng, Yu-Ting; Liou, Teau-Jiuan; Yang, Ding-Yah","Pseudo three-component approach to coumarin-annulated azepines: synthesis of coumarin[3,4-b]azepines","RSC Adv.","2017","7","72","45269","","10.1039/C7RA09289J","","x-ray","0.71073","MoKα","","0.0472","0.0378","","","0.0945","0.1011","","","","","","1.03","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229232","12.7549","0.0011","13.762","0.0011","21.742","0.002","90","","90","","90","","3816.4","0.6","173","2","173","2","","","","","","","","6","C m c m","-C 2c 2","63","","1","","- C38 H28 Co2 N2 O14 S2 -","- C38 H28 Co2 N2 O14 S2 -","- C152 H112 Co8 N8 O56 S8 -","4","0.25","","Park, In-Hyeok; Herng, Tun Seng; Ju, Huiyeong; Ding, Jun; Lee, Shim Sung; Vittal, Jagadese J.","Synthesis, structures and magnetic properties of isoreticular polyrotaxane-type two-dimensional coordination polymers","RSC Adv.","2017","7","72","45582","","10.1039/C7RA07637A","","","0.71073","MoKα","","0.1405","0.1187","","","0.2604","0.2696","","","","","","1.203","","","","has coordinates","201253","2020-10-21","18:00:00",""
"7229233","15.9968","0.0012","22.134","0.0016","12.5998","0.0009","90","","104.056","0.004","90","","4327.7","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2","","- C40 H26 Co2 N2 O12 S2 -","- C40 H26 Co2 N2 O12 S2 -","- C160 H104 Co8 N8 O48 S8 -","4","1","","Park, In-Hyeok; Herng, Tun Seng; Ju, Huiyeong; Ding, Jun; Lee, Shim Sung; Vittal, Jagadese J.","Synthesis, structures and magnetic properties of isoreticular polyrotaxane-type two-dimensional coordination polymers","RSC Adv.","2017","7","72","45582","","10.1039/C7RA07637A","","","0.71073","MoKα","","0.0829","0.0602","","","0.1459","0.154","","","","","","1.081","","","","has coordinates,has disorder","201253","2020-10-21","18:00:00",""
"7229234","14.9209","0.0009","18.7056","0.0012","14.3767","0.0009","90","","93.052","0.002","90","","4006.9","0.4","135","2","135","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H55 Mg N O2 Si -","- C45 H55 Mg N O2 Si -","- C180 H220 Mg4 N4 O8 Si4 -","4","1","","Ma, Mengtao; Li, Jia; Shen, Xingchao; Yu, Zhijuan; Yao, Weiwei; Pullarkat, Sumod A.","Sterically bulky amido magnesium methyl complexes: syntheses, structures and catalysis","RSC Adv.","2017","7","72","45401","","10.1039/C7RA08836A","","","0.71073","MoKα","","0.1195","0.0736","","","0.1669","0.1957","","","","","","1.006","","","","has coordinates","201254","2020-10-21","18:00:00",""
"7229235","11.0079","0.0006","11.3921","0.0005","20.2197","0.001","75.751","0.001","87.559","0.002","71.681","0.001","2331.4","0.2","135","2","135","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H57 Mg N O Si -","- C58 H57 Mg N O Si -","- C116 H114 Mg2 N2 O2 Si2 -","2","1","","Ma, Mengtao; Li, Jia; Shen, Xingchao; Yu, Zhijuan; Yao, Weiwei; Pullarkat, Sumod A.","Sterically bulky amido magnesium methyl complexes: syntheses, structures and catalysis","RSC Adv.","2017","7","72","45401","","10.1039/C7RA08836A","","","0.71073","MoKα","","0.0628","0.0503","","","0.1525","0.1634","","","","","","1.197","","","","has coordinates","201254","2020-10-21","18:00:00",""
"7229236","9.8194","0.0007","16.348","0.0011","16.4988","0.0011","92.119","0.002","94.112","0.002","90.371","0.002","2639.8","0.3","135","2","135","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H45 Mg N O2 Si -","- C24 H45 Mg N O2 Si -","- C96 H180 Mg4 N4 O8 Si4 -","4","2","","Ma, Mengtao; Li, Jia; Shen, Xingchao; Yu, Zhijuan; Yao, Weiwei; Pullarkat, Sumod A.","Sterically bulky amido magnesium methyl complexes: syntheses, structures and catalysis","RSC Adv.","2017","7","72","45401","","10.1039/C7RA08836A","","","0.71073","MoKα","","0.0956","0.0762","","","0.195","0.2043","","","","","","1.119","","","","has coordinates","201254","2020-10-21","18:00:00",""
"7229237","10.8664","0.0004","38.1625","0.0015","11.184","0.0004","90","","106.527","0.001","90","","4446.3","0.3","135","2","135","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C56 H53 Mg N O Si -","- C56 H53 Mg N O Si -","- C224 H212 Mg4 N4 O4 Si4 -","4","2","","Ma, Mengtao; Li, Jia; Shen, Xingchao; Yu, Zhijuan; Yao, Weiwei; Pullarkat, Sumod A.","Sterically bulky amido magnesium methyl complexes: syntheses, structures and catalysis","RSC Adv.","2017","7","72","45401","","10.1039/C7RA08836A","","","0.71073","MoKα","","0.0571","0.0453","","","0.0986","0.1041","","","","","","1.017","","","","has coordinates","201254","2020-10-21","18:00:00",""
"7229238","21.9686","0.0008","6.8017","0.0003","20.0238","0.0008","90","","90","","90","","2992","0.2","293","2","293","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C11 H8 Co N6 O3 -","- C11 H8 Co N6 O3 -","- C88 H64 Co8 N48 O24 -","8","0.5","","Jiang, Wen-Hong; Zhang, Han-Zhong; Hou, Guang-Feng; Ma, Dong-Sheng; Liu, Bin; Yu, Ying-Hui","Five Co(ii) coordination polymers with different counter anions based on [3,5-di(4H-1,2,4-triazol-4-yl)benzoato]− ligand: directed synthesis, structures and magnetic properties","RSC Adv.","2017","7","72","45641","","10.1039/C7RA07089F","","","0.71073","MoKα","","0.0723","0.0539","","","0.1785","0.1957","","","","","","1.032","","","","has coordinates,has disorder","201255","2020-10-21","18:00:00",""
"7229239","16.8418","0.0004","7.0186","0.0002","19.1189","0.0004","90","","101.871","0.002","90","","2211.63","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Co N12 O6 -","- C22 H18 Co N12 O6 -","- C88 H72 Co4 N48 O24 -","4","1","","Jiang, Wen-Hong; Zhang, Han-Zhong; Hou, Guang-Feng; Ma, Dong-Sheng; Liu, Bin; Yu, Ying-Hui","Five Co(ii) coordination polymers with different counter anions based on [3,5-di(4H-1,2,4-triazol-4-yl)benzoato]− ligand: directed synthesis, structures and magnetic properties","RSC Adv.","2017","7","72","45641","","10.1039/C7RA07089F","","","0.71073","MoKα","","0.0515","0.0373","","","0.0894","0.0968","","","","","","1.041","","","","has coordinates","201255","2020-10-21","18:00:00",""
"7229240","7.1293","0.0014","11.442","0.002","8.2387","0.0016","90","","90","","90","","672.1","0.2","293","2","293","2","","","","","","","","6","P m m a","-P 2a 2a","51","","","","- C11 H9 Cl Co N6 O3 -","- C11 H7 Cl Co N6 O3 -","- C22 H14 Cl2 Co2 N12 O6 -","2","0.25","","Jiang, Wen-Hong; Zhang, Han-Zhong; Hou, Guang-Feng; Ma, Dong-Sheng; Liu, Bin; Yu, Ying-Hui","Five Co(ii) coordination polymers with different counter anions based on [3,5-di(4H-1,2,4-triazol-4-yl)benzoato]− ligand: directed synthesis, structures and magnetic properties","RSC Adv.","2017","7","72","45641","","10.1039/C7RA07089F","","","0.71073","MoKα","","0.0325","0.0297","","","0.0784","0.0803","","","","","","1.078","","","","has coordinates","201255","2020-10-21","18:00:00",""
"7229241","6.9023","0.0002","11.6321","0.0004","8.0322","0.0003","90","","90","","90","","644.89","0.04","293","2","293","2","","","","","","","","6","P m m 2","P 2 -2","25","","","","- C22 H20 Co2 N12 O11 S -","- C22 H20 Co1.952 N12 O11 S -","- C22 H20 Co1.952 N12 O11 S -","1","0.25","","Jiang, Wen-Hong; Zhang, Han-Zhong; Hou, Guang-Feng; Ma, Dong-Sheng; Liu, Bin; Yu, Ying-Hui","Five Co(ii) coordination polymers with different counter anions based on [3,5-di(4H-1,2,4-triazol-4-yl)benzoato]− ligand: directed synthesis, structures and magnetic properties","RSC Adv.","2017","7","72","45641","","10.1039/C7RA07089F","","","0.71073","MoKα","","0.0341","0.0304","","","0.07","0.0736","","","","","","1.023","","","","has coordinates,has disorder","201255","2020-10-21","18:00:00",""
"7229242","16.9247","0.0004","17.5262","0.0004","15.1234","0.0004","90","","93.431","0.002","90","","4477.95","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H31 Co3 N21 O20 -","- C33 H23 Co3 N21 O20 -","- C132 H92 Co12 N84 O80 -","4","0.5","","Jiang, Wen-Hong; Zhang, Han-Zhong; Hou, Guang-Feng; Ma, Dong-Sheng; Liu, Bin; Yu, Ying-Hui","Five Co(ii) coordination polymers with different counter anions based on [3,5-di(4H-1,2,4-triazol-4-yl)benzoato]− ligand: directed synthesis, structures and magnetic properties","RSC Adv.","2017","7","72","45641","","10.1039/C7RA07089F","","","0.71073","MoKα","","0.0865","0.0599","","","0.1525","0.1673","","","","","","1.042","","","","has coordinates","201255","2020-10-21","18:00:00",""
"7229243","11.9977","0.001","25.907","0.002","15.0221","0.001","90","","126.689","0.005","90","","3744.2","0.5","173","2","173.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H40 F36 Gd2 N8 O16 -","- C58 H40 F36 Gd2 N8 O16 -","- C116 H80 F72 Gd4 N16 O32 -","2","0.5","","Chen, Peng Yun; Shi, Xiu Juan; Li, Ting; Tian, Li; Liu, Zhong Yi; Hua, Feng Zhen; Yu, Si Jia; Xu, Yuan Yuan","Modulating spin dynamics of binuclear LnIII‒radical complexes by using different indazole radicals","RSC Adv.","2017","7","72","45504","","10.1039/C7RA09192C","","","0.71073","MoKα","","0.0867","0.0597","","","0.148","0.1659","","","","","","1.037","","","","has coordinates,has disorder","201256","2020-10-21","18:00:00",""
"7229244","11.9723","0.0004","24.1441","0.0009","12.9349","0.0005","90","","100.167","0.003","90","","3680.3","0.2","111.07","0.15","111.07","0.15","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H40 Dy2 F36 N8 O16 -","- C58 H40 Dy2 F36 N8 O16 -","- C116 H80 Dy4 F72 N16 O32 -","2","0.5","","Chen, Peng Yun; Shi, Xiu Juan; Li, Ting; Tian, Li; Liu, Zhong Yi; Hua, Feng Zhen; Yu, Si Jia; Xu, Yuan Yuan","Modulating spin dynamics of binuclear LnIII‒radical complexes by using different indazole radicals","RSC Adv.","2017","7","72","45504","","10.1039/C7RA09192C","","x-ray","0.71073","MoKα","","0.0559","0.0449","","","0.1024","0.1106","","","","","","1.038","","","","has coordinates,has disorder","201256","2020-10-21","18:00:00",""
"7229245","11.9689","0.0002","25.9221","0.0005","12.3832","0.0002","90","","103.828","0.0017","90","","3730.65","0.12","129","1","129","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H40 Dy2 F36 N8 O16 -","- C58 H40 Dy2 F36 N8 O16 -","- C116 H80 Dy4 F72 N16 O32 -","2","0.5","","Chen, Peng Yun; Shi, Xiu Juan; Li, Ting; Tian, Li; Liu, Zhong Yi; Hua, Feng Zhen; Yu, Si Jia; Xu, Yuan Yuan","Modulating spin dynamics of binuclear LnIII‒radical complexes by using different indazole radicals","RSC Adv.","2017","7","72","45504","","10.1039/C7RA09192C","","x-ray","1.54184","CuKα","","0.0722","0.057","","","0.1469","0.1597","","","","","","1.03","","","","has coordinates,has disorder","201256","2020-10-21","18:00:00",""
"7229246","12.0292","0.0004","24.1953","0.0012","12.9431","0.0005","90","","100.293","0.004","90","","3706.5","0.3","110.5","0.2","110.5","0.2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H40 F36 Gd2 N8 O16 -","- C58 H40 F36 Gd2 N8 O16 -","- C116 H80 F72 Gd4 N16 O32 -","2","0.5","","Chen, Peng Yun; Shi, Xiu Juan; Li, Ting; Tian, Li; Liu, Zhong Yi; Hua, Feng Zhen; Yu, Si Jia; Xu, Yuan Yuan","Modulating spin dynamics of binuclear LnIII–radical complexes by using different indazole radicals","RSC Adv.","2017","7","72","45504","","10.1039/C7RA09192C","","x-ray","0.71073","MoKα","","0.0583","0.0473","","","0.1002","0.1077","","","","","","1.042","","","","has coordinates,has disorder","301865","2025-08-22","16:17:17",""
"7229253","8.1196","0.0005","9.4949","0.0007","10.9553","0.0007","105.246","0.006","108.647","0.006","95.76","0.006","756.22","0.1","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H29 O20.5 Zn4 -","- C24 H29 O20.5 Zn4 -","- C24 H29 O20.5 Zn4 -","1","1","","Gu, Lei; Zhang, Han-Zhong; Jiang, Wen-Hong; Hou, Guang-Feng; Yu, Ying-Hui; Ma, Dong-Sheng","A pair of novel Zn(ii) enantiomeric coordination polymers based on a chiral multicarboxylate ligand: synthesis, crystal structures and molecular recognition properties","RSC Adv.","2017","7","72","45862","","10.1039/C7RA08433A","","","0.71073","MoKα","","0.0359","0.0283","","","0.0577","0.0605","","","","","","1.005","","","","has coordinates","201342","2020-10-21","18:00:00",""
"7229254","8.1097","0.0003","9.504","0.0004","10.9547","0.0004","105.082","0.001","108.509","0.001","95.914","0.001","757.02","0.05","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H28 O20 Zn4 -","- C24 H28 O20 Zn4 -","- C24 H28 O20 Zn4 -","1","1","","Gu, Lei; Zhang, Han-Zhong; Jiang, Wen-Hong; Hou, Guang-Feng; Yu, Ying-Hui; Ma, Dong-Sheng","A pair of novel Zn(ii) enantiomeric coordination polymers based on a chiral multicarboxylate ligand: synthesis, crystal structures and molecular recognition properties","RSC Adv.","2017","7","72","45862","","10.1039/C7RA08433A","","","0.71073","MoKα","","0.0379","0.0267","","","0.0554","0.0598","","","","","","1.018","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7229256","17.442","0.007","21.243","0.009","11.468","0.004","90","","129.716","0.004","90","","3269","2","296","2","296.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H35 Cd2 N3 O14 S2 -","- C27 H35 Cd2 N3 O14 S2 -","- C108 H140 Cd8 N12 O56 S8 -","4","0.5","","Wang, Lu; Yang, Guo-Ping; Yan, Yang-Tian; Jin, Jing; Ning, Yan; Wang, Yao-Yu","Solvent-induced diversity of luminescent metal‒organic frameworks based on different secondary building units","RSC Adv.","2017","7","73","46125","","10.1039/C7RA08188J","","","0.71073","MoKα","","0.1774","0.0796","","","0.2059","0.313","","","","","","1.244","","","","has coordinates,has disorder","201501","2020-10-21","18:00:00",""
"7229257","36.916","0.007","21.399","0.004","7.2173","0.0014","90","","98.129","0.004","90","","5644.1","1.9","296.15","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H30 Cd3 O16 -","- C42 H30 Cd3 O16 -","- C168 H120 Cd12 O64 -","4","0.5","","Wang, Lu; Yang, Guo-Ping; Yan, Yang-Tian; Jin, Jing; Ning, Yan; Wang, Yao-Yu","Solvent-induced diversity of luminescent metal‒organic frameworks based on different secondary building units","RSC Adv.","2017","7","73","46125","","10.1039/C7RA08188J","","","0.71073","MoKα","","0.0898","0.058","","","0.1827","0.2294","","","","","","1.008","","","","has coordinates,has disorder","201501","2020-10-21","18:00:00",""
"7229258","7.079","0.004","11.288","0.006","13.13","0.007","65.42","0.008","83.016","0.008","85.505","0.009","946.6","0.9","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H14 Cd O7 -","- C21 H14 Cd O7 -","- C42 H28 Cd2 O14 -","2","1","","Wang, Lu; Yang, Guo-Ping; Yan, Yang-Tian; Jin, Jing; Ning, Yan; Wang, Yao-Yu","Solvent-induced diversity of luminescent metal‒organic frameworks based on different secondary building units","RSC Adv.","2017","7","73","46125","","10.1039/C7RA08188J","","","0.71073","MoKα","","0.0993","0.0744","","","0.2107","0.2995","","","","","","1.339","","","","has coordinates","201501","2020-10-21","18:00:00",""
"7229263","4.247","0.003","16.287","0.012","24.172","0.015","90","","90","","90","","1672","2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 O2 -","- C22 H18 O2 -","- C88 H72 O8 -","4","1","","Zhang, Liang; Liu, Jie; Gao, Junkuo; Lu, Rong; Liu, Fang","Adjustment of the solid fluorescence of a chalcone derivative through controlling steric hindrance","RSC Adv.","2017","7","73","46354","","10.1039/C7RA09122B","","","0.71073","MoKα","","0.084","0.0476","","","0.1251","0.1455","","","","","","0.935","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229264","18.544","0.002","15.174","0.002","28.663","0.003","90","","90","","90","","8065.4","1.6","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C28 H22 O2 -","- C28 H22 O2 -","- C448 H352 O32 -","16","4","","Zhang, Liang; Liu, Jie; Gao, Junkuo; Lu, Rong; Liu, Fang","Adjustment of the solid fluorescence of a chalcone derivative through controlling steric hindrance","RSC Adv.","2017","7","73","46354","","10.1039/C7RA09122B","","","0.71073","MoKα","","0.1442","0.0852","","","0.2181","0.2691","","","","","","0.974","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229283","8.1098","0.0006","10.3956","0.001","11.5","0.0016","88.824","0.01","77.369","0.01","87.304","0.007","944.96","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H15 Cl N2 O2 -","- C23 H15 Cl N2 O2 -","- C46 H30 Cl2 N4 O4 -","2","1","","Fu, Ying; Wang, Meng-Xia; Zhang, Dong; Hou, Yu-Wen; Gao, Shuang; Zhao, Li-Xia; Ye, Fei","Design, synthesis, and herbicidal activity of pyrazole benzophenone derivatives","RSC Adv.","2017","7","74","46858","","10.1039/C7RA09858H","","","0.71073","MoKα","","0.1406","0.1277","","","0.3374","0.3431","","","","","","1.109","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229284","9.2568","0.0004","10.0256","0.0004","11.047","0.0005","88.389","0.003","88.878","0.002","66.498","0.002","939.76","0.07","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H17 N -","- C25 H17 N -","- C50 H34 N2 -","2","1","","Bandi, Vijayalakshmi; Kavala, Veerababurao; Hsu, Che-Hao; Konala, Ashok; Villuri, Bharath Kumar; Kotipalli, Trimurtulu; Kuo, Chun-Wei; Yao, Ching-Fa","Synthesis of functionalized unsymmetrical 1,3-butadiene-3-yne derivatives from β-halo styrene derivatives and their application in the synthesis of trisubstituted pyridines","RSC Adv.","2017","7","74","46704","","10.1039/C7RA07128K","","","0.71073","MoKα","","0.0575","0.0476","","","0.1294","0.1463","","","","","","1.088","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229285","13.773","0.003","7.1192","0.0014","19.135","0.004","90","","96.972","0.004","90","","1862.4","0.7","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 N -","- C25 H17 N -","- C100 H68 N4 -","4","1","","Bandi, Vijayalakshmi; Kavala, Veerababurao; Hsu, Che-Hao; Konala, Ashok; Villuri, Bharath Kumar; Kotipalli, Trimurtulu; Kuo, Chun-Wei; Yao, Ching-Fa","Synthesis of functionalized unsymmetrical 1,3-butadiene-3-yne derivatives from β-halo styrene derivatives and their application in the synthesis of trisubstituted pyridines","RSC Adv.","2017","7","74","46704","","10.1039/C7RA07128K","","","0.71073","MoKα","","0.0938","0.046","","","0.0958","0.1114","","","","","","0.989","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229286","10.3643","0.0011","12.1725","0.0013","14.7261","0.0016","90","","97.592","0.004","90","","1841.6","0.3","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 O -","- C25 H18 O -","- C100 H72 O4 -","4","1","","Bandi, Vijayalakshmi; Kavala, Veerababurao; Hsu, Che-Hao; Konala, Ashok; Villuri, Bharath Kumar; Kotipalli, Trimurtulu; Kuo, Chun-Wei; Yao, Ching-Fa","Synthesis of functionalized unsymmetrical 1,3-butadiene-3-yne derivatives from β-halo styrene derivatives and their application in the synthesis of trisubstituted pyridines","RSC Adv.","2017","7","74","46704","","10.1039/C7RA07128K","","","0.71073","MoKα","","0.0736","0.0512","","","0.1279","0.1521","","","","","","1.076","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229287","12.48","0.003","5.9054","0.0012","27.814","0.01","90","","94.72","0.018","90","","2042.9","1","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 O2 -","- C26 H20 O2 -","- C104 H80 O8 -","4","1","","Bandi, Vijayalakshmi; Kavala, Veerababurao; Hsu, Che-Hao; Konala, Ashok; Villuri, Bharath Kumar; Kotipalli, Trimurtulu; Kuo, Chun-Wei; Yao, Ching-Fa","Synthesis of functionalized unsymmetrical 1,3-butadiene-3-yne derivatives from β-halo styrene derivatives and their application in the synthesis of trisubstituted pyridines","RSC Adv.","2017","7","74","46704","","10.1039/C7RA07128K","","","0.71073","MoKα","","0.2411","0.1106","","","0.1654","0.2084","","","","","","1.029","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229288","22.492","0.003","3.945","0.0005","20.893","0.003","90","","112.82","0.009","90","","1708.8","0.4","200","2","200","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C25 H17 N -","- C25 H17 N -","- C100 H68 N4 -","4","1","","Bandi, Vijayalakshmi; Kavala, Veerababurao; Hsu, Che-Hao; Konala, Ashok; Villuri, Bharath Kumar; Kotipalli, Trimurtulu; Kuo, Chun-Wei; Yao, Ching-Fa","Synthesis of functionalized unsymmetrical 1,3-butadiene-3-yne derivatives from β-halo styrene derivatives and their application in the synthesis of trisubstituted pyridines","RSC Adv.","2017","7","74","46704","","10.1039/C7RA07128K","","","0.71073","MoKα","","0.1852","0.0943","","","0.2358","0.2966","","","","","","1.043","","","","has coordinates,has disorder","301865","2025-08-22","16:17:17",""
"7229289","11.9159","0.0016","11.9873","0.0017","15.626","0.002","75.842","0.002","89.055","0.002","65.212","0.002","1955.4","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H45 N5 O6 -","- C42 H45 N5 O6 -","- C84 H90 N10 O12 -","2","1","","Pei, Peng-Xiang; Hu, Jing-Han; Ni, Peng-Wei; Long, Chen; Su, Jun-Xia; Sun, You","A novel dual-channel chemosensor for CN− based on rhodamine B hydrazide derivatives and its application in bitter almond","RSC Adv.","2017","7","74","46832","","10.1039/C7RA09174E","","","0.71073","MoKα","","0.0869","0.0587","","","0.1492","0.1641","","","","","","1","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229290","5.4184","0.0003","9.8683","0.001","54.655","0.004","90","","90","","90","","2922.4","0.4","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H19 F17 O2 -","- C30 H19 F17 O2 -","- C120 H76 F68 O8 -","4","1","","Qian, Zongzheng; Deng, Weiting; Zhang, Xuepeng; Miao, Hui; Zhang, Guoqing","How side-chain substituents and substrates influence mechanochromic luminescence: case study with pyrene","RSC Adv.","2017","7","74","46721","","10.1039/C7RA09453A","","","1.54184","CuKα","","0.1212","0.1107","","","0.2368","0.2431","","","","","","1.076","","","","has coordinates,has disorder","301865","2025-08-22","16:17:17",""
"7229291","5.86059","0.00007","12.67519","0.00017","15.73654","0.00019","90","","94.4504","0.0011","90","","1165.45","0.03","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H33 Br O3 -","- C27 H33 Br O3 -","- C54 H66 Br2 O6 -","2","1","","Liu, Shao-Nan; Hu, Jiayuan; Tan, Shen H.; Wang, Qian; Xu, Jun; Wang, Yan; Yuan, Yan; Gu, Qiong","ent-Rosane diterpenoids from Euphorbia milii showing an Epstein–Barr virus lytic replication assay","RSC Adv.","2017","7","74","46938","","10.1039/C7RA08877A","","x-ray","1.54184","CuKα","","0.0259","0.0257","","","0.0704","0.0705","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229292","50.582","0.012","9.149","0.002","17.832","0.004","90","","104.312","0.007","90","","7996","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H43 N3 Pt -","- C50 H43 N3 Pt -","- C400 H344 N24 Pt8 -","8","1","","Bi, Dongqin; Feng, Yuquan; Zhao, Qian; Wang, Hongwei; Zhu, Yongsheng; Bao, Xiaoyu; Fan, Huitao; Yu, Lintao; Yang, Qichao; Qiu, Dongfang","Synthesis, crystal structure, photophysical property and metal ion-binding behavior of a cyclometalated platinum(ii) terpyridylacetylide with efficient π-conjugation degree","RSC Adv.","2017","7","74","46980","","10.1039/C7RA09423J","","","0.71073","MoKα","","0.049","0.0337","","","0.0957","0.1054","","","","","","1.091","","","","has coordinates","201805","2020-10-21","18:00:00",""
"7229293","9.7741","0.0019","44.237","0.008","11.821","0.002","90","","99.749","0.004","90","","5037.3","1.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C65 H52 N6 Pt -","- C65 H52 N6 Pt -","- C260 H208 N24 Pt4 -","4","1","","Bi, Dongqin; Feng, Yuquan; Zhao, Qian; Wang, Hongwei; Zhu, Yongsheng; Bao, Xiaoyu; Fan, Huitao; Yu, Lintao; Yang, Qichao; Qiu, Dongfang","Synthesis, crystal structure, photophysical property and metal ion-binding behavior of a cyclometalated platinum(ii) terpyridylacetylide with efficient π-conjugation degree","RSC Adv.","2017","7","74","46980","","10.1039/C7RA09423J","","","0.71073","MoKα","","0.0783","0.0529","","","0.1193","0.1282","","","","","","1.046","","","","has coordinates","201805","2020-10-21","18:00:00",""
"7229294","11.66","0.004","11.794","0.003","11.944","0.003","102.39","0.02","115.41","0.03","107.53","0.03","1297.1","0.9","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C70 H62 -","- C70 H62 -","- C70 H62 -","1","0.5","","Hempe, M.; Reggelin, M.","Molecular packing and morphological stability of dihydro-indeno[1,2-b]fluorenes in the context of their substitution pattern","RSC Adv.","2017","7","75","47183","","10.1039/C7RA09401A","","","0.71073","MoKα","","0.2161","0.1147","","","0.2738","0.3353","","","","","","1.037","","","","has coordinates,has disorder","201850","2020-10-21","18:00:00",""
"7229295","9.35","0.003","13.93","0.004","19.084","0.004","109.98","0.03","91.28","0.02","98.95","0.02","2299.9","1.2","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C36 H46 -","- C36 H46 -","- C108 H138 -","3","1.5","","Hempe, M.; Reggelin, M.","Molecular packing and morphological stability of dihydro-indeno[1,2-b]fluorenes in the context of their substitution pattern","RSC Adv.","2017","7","75","47183","","10.1039/C7RA09401A","","","0.71073","MoKα","","0.1536","0.0769","","","0.1227","0.1582","","","","","","0.859","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229296","15.416","0.002","20.078","0.002","12.162","0.002","90","","118.63","0.02","90","","3304.1","1","293","2","293","2","","","","","","","","2","C 1 c 1","C -2yc","9","","","","- C42 H42 -","- C42 H42 -","- C168 H168 -","4","1","","Hempe, M.; Reggelin, M.","Molecular packing and morphological stability of dihydro-indeno[1,2-b]fluorenes in the context of their substitution pattern","RSC Adv.","2017","7","75","47183","","10.1039/C7RA09401A","","","0.71073","MoKα","","0.0766","0.0478","","","0.0957","0.1092","","","","","","1.085","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229297","6.7189","0.0008","13.926","0.001","19.061","0.002","90","","90","","90","","1783.5","0.3","293","2","293","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C24 H22 -","- C24 H22 -","- C96 H88 -","4","0.5","","Hempe, M.; Reggelin, M.","Molecular packing and morphological stability of dihydro-indeno[1,2-b]fluorenes in the context of their substitution pattern","RSC Adv.","2017","7","75","47183","","10.1039/C7RA09401A","","","0.71073","MoKα","","0.103","0.0691","","","0.1233","0.1371","","","","","","1.32","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229298","8.502","0.001","10.722","0.002","14.069","0.002","82.38","0.02","73.88","0.02","75.3","0.02","1189.1","0.3","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C52 H78 -","- C52 H78 -","- C52 H78 -","1","0.5","","Hempe, M.; Reggelin, M.","Molecular packing and morphological stability of dihydro-indeno[1,2-b]fluorenes in the context of their substitution pattern","RSC Adv.","2017","7","75","47183","","10.1039/C7RA09401A","","","0.71073","MoKα","","0.2632","0.1538","","","0.2016","0.2368","","","","","","1.273","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229299","8.453","0.001","10.868","0.001","11.903","0.002","92.85","0.01","108.07","0.01","104.44","0.01","997.1","0.2","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C44 H62 -","- C44 H62 -","- C44 H62 -","1","0.5","","Hempe, M.; Reggelin, M.","Molecular packing and morphological stability of dihydro-indeno[1,2-b]fluorenes in the context of their substitution pattern","RSC Adv.","2017","7","75","47183","","10.1039/C7RA09401A","","","0.71073","MoKα","","0.0965","0.0608","","","0.1356","0.1579","","","","","","1.113","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229300","43.677","0.002","43.677","0.002","12.14","0.001","90","","90","","120","","20056","2","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C312 H372 O -","- C312 H372 O -","- C936 H1116 O3 -","3","0.166667","","Hempe, M.; Reggelin, M.","Molecular packing and morphological stability of dihydro-indeno[1,2-b]fluorenes in the context of their substitution pattern","RSC Adv.","2017","7","75","47183","","10.1039/C7RA09401A","","","0.71073","MoKα","","0.1763","0.091","","","0.2535","0.318","","","","","","0.99","","","","has coordinates,has disorder","201850","2020-10-21","18:00:00",""
"7229301","24.6","0.002","33.412","0.003","18.478","0.002","90","","90","","90","","15188","2","293","2","293","2","","","","","","","","5","C m c 21","C 2c -2","36","HHU-3","HHU-3","","- C66 H33 Cu6 N3 O30 -","- C66 H33 Cu6 N3 O30 -","- C264 H132 Cu24 N12 O120 -","4","0.5","","Lu, Zhiyong; Xing, Yue; Du, Liting; He, Haiyan; Zhang, Jianfeng; Hang, Cheng","Isostructural functionalization by ‒OH and ‒NH2: different contributions to CO2 adsorption","RSC Adv.","2017","7","75","47219","","10.1039/C7RA10369G","","","0.71073","MoKα","","0.104","0.0604","","","0.1201","0.1309","","","","","","0.898","","","","has coordinates","201851","2020-10-21","18:00:00",""
"7229302","24.6748","0.0011","33.5109","0.0015","18.4547","0.0011","90","","90","","90","","15259.7","1.3","140","2","140","2","","","","","","","","4","C m c m","-C 2c 2","63","HHU-4","HHU-4","","- C66 H30 Cu6 O33 -","- C66 H30 Cu6 O33 -","- C264 H120 Cu24 O132 -","4","0.25","","Lu, Zhiyong; Xing, Yue; Du, Liting; He, Haiyan; Zhang, Jianfeng; Hang, Cheng","Isostructural functionalization by ‒OH and ‒NH2: different contributions to CO2 adsorption","RSC Adv.","2017","7","75","47219","","10.1039/C7RA10369G","","","0.71073","MoKα","","0.15","0.0751","","","0.1828","0.2111","","","","","","1.021","","","","has coordinates,has disorder","201851","2020-10-21","18:00:00",""
"7229305","12.4459","0.0005","13.8185","0.0005","25.2852","0.001","82.073","0.001","81.87","0.001","75.4","0.001","4142.1","0.3","185","2","185","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H92 Dy6 N12 O29 -","- C64 H92 Dy6 N12 O29 -","- C128 H184 Dy12 N24 O58 -","2","1","","Lin, Shuang-Yan; Wu, Jianfeng; Xu, Zhikun","The effect of additional methyl on the magnetic relaxation and toroidal moment of Dy6 complex","RSC Adv.","2017","7","75","47520","","10.1039/C7RA09619D","","","0.71073","MoKα","","0.075","0.0455","","","0.1085","0.1271","","","","","","1.006","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229306","18.6094","0.0011","17.218","0.001","25.339","0.0014","90","","92.634","0.001","90","","8110.5","0.8","185","2","185","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C70 H94 N8 O23 Sm6 -","- C70 H94 N8 O23 Sm6 -","- C280 H376 N32 O92 Sm24 -","4","0.5","","Lin, Shuang-Yan; Wu, Jianfeng; Xu, Zhikun","The effect of additional methyl on the magnetic relaxation and toroidal moment of Dy6 complex","RSC Adv.","2017","7","75","47520","","10.1039/C7RA09619D","","","0.71073","MoKα","","0.0887","0.0495","","","0.1146","0.1394","","","","","","1.008","","","","has coordinates","201885","2020-10-21","18:00:00",""
"7229315","18.7697","0.0004","4.8938","0.0001","22.9053","0.0005","90","","92.86","0.002","90","","2101.35","0.08","295","2","295","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H20 N2 O8 -","- C21 H20 N2 O8 -","- C84 H80 N8 O32 -","4","1","","Zhu, Meilin; Yang, Zhen; Feng, Huimin; Gan, Qi; Che, Qian; Zhu, Tianjiao; Gu, Qianqun; Han, Bingnan; Li, Dehai","Trichodermamides D–F, heterocyclic dipeptides with a highly functionalized 1,2-oxazadecaline core isolated from the endophytic fungus Penicillium janthinellum HDN13-309","RSC Adv.","2017","7","76","48019","","10.1039/C7RA10389A","","","1.54184","CuKα","","0.0475","0.0459","","","0.1267","0.1292","","","","","","1.04","","","","has coordinates,has disorder","301865","2025-08-22","16:17:17",""
"7229316","8.2353","0.0004","8.2353","0.0004","13.7385","0.0013","90","","90","","120","","806.92","0.09","296","2","296","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Cr Fe N O12 -","- C8.0004 H14.0016 Cr Fe N1.0002 O12 -","- C16.0008 H28.0032 Cr2 Fe2 N2.0004 O24 -","2","0.166667","","Yang, Li; Li, Jing; Pu, Tian-Cheng; Kong, Ming; Zhang, Jing; Song, You","Study of the relationship between magnetic field and dielectric properties in two ferromagnetic complexes","RSC Adv.","2017","7","76","47913","","10.1039/C7RA08695D","","","0.71073","MoKα","","0.0246","0.023","","","0.0612","0.0619","","","","","","1.167","","","","has coordinates,has disorder","201970","2020-10-21","18:00:00",""
"7229317","8.1651","0.0003","8.1651","0.0003","13.5314","0.001","90","","90","","120","","781.26","0.07","296","2","296","2","","","","","","","","6","P -3 1 c","-P 3 2c","163","","","","- C8 H14 Cr N Ni O12 -","- C8.0004 H14.0016 Cr N1.0002 Ni O12 -","- C16.0008 H28.0032 Cr2 N2.0004 Ni2 O24 -","2","0.166667","","Yang, Li; Li, Jing; Pu, Tian-Cheng; Kong, Ming; Zhang, Jing; Song, You","Study of the relationship between magnetic field and dielectric properties in two ferromagnetic complexes","RSC Adv.","2017","7","76","47913","","10.1039/C7RA08695D","","","0.71073","MoKα","","0.033","0.0285","","","0.0643","0.0658","","","","","","1.155","","","","has coordinates,has disorder","201970","2020-10-21","18:00:00",""
"7229318","12.79","0.005","14.351","0.005","15.034","0.005","109.079","0.005","91.48","0.005","114.551","0.005","2329.8","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H100 Cl9 Cu4 N12 O24 -","- C88 H100 Cl9 Cu4 N12 O24 -","- C88 H100 Cl9 Cu4 N12 O24 -","1","0.5","","Usman, Mohammad; Arjmand, Farukh; Khan, Rais Ahmad; Alsalme, Ali; Ahmad, Musheer; Tabassum, Sartaj","Biological evaluation of dinuclear copper complex/dichloroacetic acid cocrystal against human breast cancer: design, synthesis, characterization, DFT studies and cytotoxicity assays","RSC Adv.","2017","7","76","47920","","10.1039/C7RA08262B","","","0.71073","MoKα","","0.0898","0.0829","","","0.2178","0.2229","","","","","","1.079","","","","has coordinates","201971","2020-10-21","18:00:00",""
"7229330","9.4843","0.0005","10.5629","0.0006","14.1175","0.0007","90","","91.34","0.003","90","","1413.93","0.13","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Al N O3 -","- C12 H24 Al N O3 -","- C48 H96 Al4 N4 O12 -","4","1","","Kim, Yoseph; Lee, Kang Mun; Kim, So Han; Moon, Jung Hee; Kim, Youngjo","Dimeric alumatranes as catalysts for trimethylsilylcyanation reaction","RSC Adv.","2017","7","76","48151","","10.1039/C7RA09851K","","","0.71073","MoKα","","0.0742","0.0513","","","0.135","0.159","","","","","","1.06","","","","has coordinates","202015","2020-10-21","18:00:00",""
"7229331","10.339","0.0005","9.2969","0.0004","17.3082","0.0008","90","","107.191","0.003","90","","1589.35","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Al N O3 -","- C15 H24 Al N O3 -","- C60 H96 Al4 N4 O12 -","4","1","","Kim, Yoseph; Lee, Kang Mun; Kim, So Han; Moon, Jung Hee; Kim, Youngjo","Dimeric alumatranes as catalysts for trimethylsilylcyanation reaction","RSC Adv.","2017","7","76","48151","","10.1039/C7RA09851K","","","0.71073","MoKα","","0.1046","0.0903","","","0.2667","0.2809","","","","","","1.082","","","","has coordinates","202015","2020-10-21","18:00:00",""
"7229332","13.6533","0.0006","14.1939","0.0006","18.853","0.0008","90","","98.997","0.002","90","","3608.6","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H56 Al2 N2 O6 -","- C34 H56 Al2 N2 O6 -","- C136 H224 Al8 N8 O24 -","4","1","","Kim, Yoseph; Lee, Kang Mun; Kim, So Han; Moon, Jung Hee; Kim, Youngjo","Dimeric alumatranes as catalysts for trimethylsilylcyanation reaction","RSC Adv.","2017","7","76","48151","","10.1039/C7RA09851K","","","0.71073","MoKα","","0.1053","0.0579","","","0.1526","0.1868","","","","","","1.017","","","","has coordinates","211691","2020-10-21","18:00:00",""
"7229333","9.28","0.003","4.5988","0.0016","14.376","0.005","90","","90","","90","","613.5","0.4","153","2","153","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C2 H8 N6 O2 -","- C2 H8 N6 O2 -","- C8 H32 N24 O8 -","4","1","","Wang, Qian-You; Wang, Shan; Feng, Xiao; Wu, Le; Zhang, Sheng-Han; Ding, Nan; Tong, Wen-Chao; Zhou, Ming-Rui; Wang, Bo; Yang, Li","A facile method to prepare energetic materials (EMs)","RSC Adv.","2017","7","76","48161","","10.1039/C7RA08115D","","","0.71073","MoKα","","0.0366","0.0343","","","0.0764","0.078","","","","","","1","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229334","4.6017","0.0014","25.268","0.008","11.95","0.004","90","","97.11","","90","","1378.8","0.8","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N9 O9 -","- C8 H11 N9 O9 -","- C32 H44 N36 O36 -","4","1","","Wang, Qian-You; Wang, Shan; Feng, Xiao; Wu, Le; Zhang, Sheng-Han; Ding, Nan; Tong, Wen-Chao; Zhou, Ming-Rui; Wang, Bo; Yang, Li","A facile method to prepare energetic materials (EMs)","RSC Adv.","2017","7","76","48161","","10.1039/C7RA08115D","","","0.71073","MoKα","","0.0822","0.0535","","","0.1226","0.1362","","","","","","1.002","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229335","10.324","0.002","9.2938","0.0019","29.738","0.006","90","","99.37","0.03","90","","2815.3","1","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 N12 O23 -","- C14 H24 N12 O23 -","- C56 H96 N48 O92 -","4","1","","Wang, Qian-You; Wang, Shan; Feng, Xiao; Wu, Le; Zhang, Sheng-Han; Ding, Nan; Tong, Wen-Chao; Zhou, Ming-Rui; Wang, Bo; Yang, Li","A facile method to prepare energetic materials (EMs)","RSC Adv.","2017","7","76","48161","","10.1039/C7RA08115D","","","0.71073","MoKα","","0.0846","0.0735","","","0.2002","0.2177","","","","","","1.208","","","","has coordinates,has disorder","301865","2025-08-22","16:17:17",""
"7229336","11.5203","0.0002","12.5815","0.0002","11.8042","0.0002","90","","99.088","0.002","90","","1689.45","0.05","150","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Cd N9 O -","- C13 H19 Cd N9 O -","- C52 H76 Cd4 N36 O4 -","4","1","","Das, Mriganka; Biswas, Amrita; Kundu, Bidyut Kumar; Mobin, Shaikh M.; Udayabhanu, G.; Mukhopadhyay, Suman","Targeted synthesis of cadmium(ii) Schiff base complexes towards corrosion inhibition on mild steel","RSC Adv.","2017","7","77","48569","","10.1039/C7RA08633D","","","0.71073","MoKα","","0.0178","0.0174","","","0.0475","0.0478","","","","","","1.083","","","","has coordinates","202049","2020-10-21","18:00:00",""
"7229337","16.2089","0.0001","14.1348","0.0001","12.8434","0.0001","90","","90","","90","","2942.55","0.04","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H34 Cd Cl2 N6 O8 -","- C22 H34 Cd Cl2 N6 O8 -","- C88 H136 Cd4 Cl8 N24 O32 -","4","1","","Das, Mriganka; Biswas, Amrita; Kundu, Bidyut Kumar; Mobin, Shaikh M.; Udayabhanu, G.; Mukhopadhyay, Suman","Targeted synthesis of cadmium(ii) Schiff base complexes towards corrosion inhibition on mild steel","RSC Adv.","2017","7","77","48569","","10.1039/C7RA08633D","","","0.71073","MoKα","","0.0242","0.0239","","","0.0674","0.0678","","","","","","1.055","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229338","8.4381","0.0001","10.1003","0.0003","11.303","0.0002","76.078","0.002","81.463","0.002","89.501","0.002","924.3","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H22 Cd N4 O4 -","- C16 H22 Cd N4 O4 -","- C32 H44 Cd2 N8 O8 -","2","1","","Das, Mriganka; Biswas, Amrita; Kundu, Bidyut Kumar; Mobin, Shaikh M.; Udayabhanu, G.; Mukhopadhyay, Suman","Targeted synthesis of cadmium(ii) Schiff base complexes towards corrosion inhibition on mild steel","RSC Adv.","2017","7","77","48569","","10.1039/C7RA08633D","","","0.71073","MoKα","","0.0181","0.0177","","","0.0451","0.0453","","","","","","1.124","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229339","8.793","0.0007","15.6776","0.0013","11.6958","0.0009","90","","107.422","0.009","90","","1538.3","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H17 Cd N9 -","- C11 H17 Cd N9 -","- C44 H68 Cd4 N36 -","4","1","","Das, Mriganka; Biswas, Amrita; Kundu, Bidyut Kumar; Mobin, Shaikh M.; Udayabhanu, G.; Mukhopadhyay, Suman","Targeted synthesis of cadmium(ii) Schiff base complexes towards corrosion inhibition on mild steel","RSC Adv.","2017","7","77","48569","","10.1039/C7RA08633D","","","0.71073","MoKα","","0.0924","0.0825","","","0.2221","0.2302","","","","","","1.081","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229340","19.881","0.0004","10.8934","0.0002","16.2898","0.0003","90","","100.828","0.002","90","","3465.1","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 Cd2 N18 -","- C28 H42 Cd2 N18 -","- C112 H168 Cd8 N72 -","4","1","","Das, Mriganka; Biswas, Amrita; Kundu, Bidyut Kumar; Mobin, Shaikh M.; Udayabhanu, G.; Mukhopadhyay, Suman","Targeted synthesis of cadmium(ii) Schiff base complexes towards corrosion inhibition on mild steel","RSC Adv.","2017","7","77","48569","","10.1039/C7RA08633D","","","0.71073","MoKα","","0.025","0.022","","","0.0554","0.058","","","","","","1.055","","","","has coordinates","202049","2020-10-21","18:00:00",""
"7229341","15.4086","0.0008","12.0628","0.0006","29.5294","0.0009","90","","100.627","0.005","90","","5394.5","0.4","291","2","291","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H56 Ca Cl6 N4 Ni2 O18 -","- C44 H56 Ca Cl6 N4 Ni2 O18 -","- C176 H224 Ca4 Cl24 N16 Ni8 O72 -","4","1","","Dong, Xiu-Yan; Li, Xiao-Yan; Liu, Ling-Zhi; Zhang, Han; Ding, Yu-Jie; Dong, Wen-Kui","Tri- and hexanuclear heterometallic Ni(ii)–M(ii) (M = Ca, Sr and Ba) bis(salamo)-type complexes: synthesis, structure and fluorescence properties","RSC Adv.","2017","7","76","48394","","10.1039/C7RA07826A","","","0.71073","MoKα","","0.0645","0.0469","","","0.0959","0.0986","","","","","","1.095","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229342","23.662","0.0005","17.8187","0.0005","12.4666","0.0003","90","","90","","90","","5256.2","0.2","154.89","0.1","154.89","0.1","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C42 H54 Cl4 N4 Ni2 O18 Sr -","- C42 H54 Cl4 N4 Ni2 O18 Sr -","- C168 H216 Cl16 N16 Ni8 O72 Sr4 -","4","0.5","","Dong, Xiu-Yan; Li, Xiao-Yan; Liu, Ling-Zhi; Zhang, Han; Ding, Yu-Jie; Dong, Wen-Kui","Tri- and hexanuclear heterometallic Ni(ii)‒M(ii) (M = Ca, Sr and Ba) bis(salamo)-type complexes: synthesis, structure and fluorescence properties","RSC Adv.","2017","7","76","48394","","10.1039/C7RA07826A","","x-ray","0.71073","MoKα","","0.082","0.0479","","","0.0888","0.1022","","","","","","1.016","","","","has coordinates","202050","2020-10-21","18:00:00",""
"7229343","15.8005","0.0003","15.7041","0.0003","18.2762","0.0004","90","","94.551","0.002","90","","4520.62","0.16","294.06","0.1","294.06","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H48 Ba N4 Ni2 O18 -","- C39 H48 Ba N4 Ni2 O18 -","- C156 H192 Ba4 N16 Ni8 O72 -","4","1","","Dong, Xiu-Yan; Li, Xiao-Yan; Liu, Ling-Zhi; Zhang, Han; Ding, Yu-Jie; Dong, Wen-Kui","Tri- and hexanuclear heterometallic Ni(ii)‒M(ii) (M = Ca, Sr and Ba) bis(salamo)-type complexes: synthesis, structure and fluorescence properties","RSC Adv.","2017","7","76","48394","","10.1039/C7RA07826A","","x-ray","0.71073","MoKα","","0.0546","0.0365","","","0.076","0.0874","","","","","","1.065","","","","has coordinates,has disorder","202050","2020-10-21","18:00:00",""
"7229352","12.614","0.001","13.1455","0.0009","14.8732","0.001","70.674","0.006","76.151","0.006","66.098","0.007","2111.8","0.3","120.01","0.1","120.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C68 H98 Mn6 N12 O30 S2 -","- C68 H98 Mn6 N12 O30 S2 -","- C68 H98 Mn6 N12 O30 S2 -","1","0.5","","Rojas-Dotti, Carlos; Martínez-Lillo, José","Thioester-functionalised and oxime-based hexametallic manganese(iii) single-molecule magnets","RSC Adv.","2017","7","77","48841","","10.1039/C7RA09841C","","","1.54184","CuKα","","0.089","0.0733","","","0.1887","0.2073","","","","","","1.008","","","","has coordinates","202098","2020-10-21","18:00:00",""
"7229353","15.9928","0.0004","13.5588","0.0004","23.5059","0.0006","90","","97.227","0.002","90","","5056.6","0.2","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H134 Mn6 N12 O32 S2 -","- C82 H134 Mn6 N12 O32 S2 -","- C164 H268 Mn12 N24 O64 S4 -","2","0.5","","Rojas-Dotti, Carlos; Martínez-Lillo, José","Thioester-functionalised and oxime-based hexametallic manganese(iii) single-molecule magnets","RSC Adv.","2017","7","77","48841","","10.1039/C7RA09841C","","","0.71073","MoKα","","0.1049","0.0751","","","0.1739","0.1923","","","","","","1.009","","","","has coordinates","202098","2020-10-21","18:00:00",""
"7229354","8.719","0.003","7.351","0.003","24.392","0.01","90","","94.484","0.01","90","","1558.6","1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 F6 N2 Ni O2 -","- C38 H30 F6 N2 Ni O2 -","- C76 H60 F12 N4 Ni2 O4 -","2","0.5","","He, Xiaohui; Yang, Yingping; Wang, Suli; Han, Zhilong; Tu, Guangshui; Zhang, Feng; Huang, Shengmei; Wang, Zijie; Chen, Defu","Synthesis of bis-(benzocyclohexan-ketoimino) Ni(ii) with different electron groups and their catalytic copolymerization of norbornene and polar norbornene","RSC Adv.","2017","7","77","48745","","10.1039/C7RA09944D","","","0.71076","MoKα","","0.1224","0.0958","","","0.2224","0.2299","","","","","","1.116","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229355","14.6652","0.0013","14.852","0.0013","7.0027","0.0006","90","","94.988","0.002","90","","1519.5","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 N2 Ni O4 -","- C38 H36 N2 Ni O4 -","- C76 H72 N4 Ni2 O8 -","2","0.5","","He, Xiaohui; Yang, Yingping; Wang, Suli; Han, Zhilong; Tu, Guangshui; Zhang, Feng; Huang, Shengmei; Wang, Zijie; Chen, Defu","Synthesis of bis-(benzocyclohexan-ketoimino) Ni(ii) with different electron groups and their catalytic copolymerization of norbornene and polar norbornene","RSC Adv.","2017","7","77","48745","","10.1039/C7RA09944D","","","0.71076","MoKα","","0.0404","0.0304","","","0.0729","0.0759","","","","","","1.061","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229356","8.916","0.003","7.111","0.003","21.905","0.008","90","","93.538","0.009","90","","1386.2","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 F2 N2 Ni O2 -","- C36 H30 F2 N2 Ni O2 -","- C72 H60 F4 N4 Ni2 O4 -","2","0.5","","He, Xiaohui; Yang, Yingping; Wang, Suli; Han, Zhilong; Tu, Guangshui; Zhang, Feng; Huang, Shengmei; Wang, Zijie; Chen, Defu","Synthesis of bis-(benzocyclohexan-ketoimino) Ni(ii) with different electron groups and their catalytic copolymerization of norbornene and polar norbornene","RSC Adv.","2017","7","77","48745","","10.1039/C7RA09944D","","","0.71073","MoKα","","0.0585","0.0478","","","0.0972","0.1003","","","","","","0.95","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229357","12.6093","0.0011","13.4496","0.0012","15.4036","0.0014","111.422","0.008","100.715","0.007","99.989","0.007","2304.7","0.4","295.42","0.1","295.42","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H38 Ba N4 O14 Zn2 -","- C38 H38 Ba N4 O14 Zn2 -","- C76 H76 Ba2 N8 O28 Zn4 -","2","1","","Wang, Li; Li, Xiao-Yan; Zhao, Qing; Li, Li-Hong; Dong, Wen-Kui","Fluorescence properties of heterotrinuclear Zn(ii)‒M(ii) (M = Ca, Sr and Ba) bis(salamo)-type complexes","RSC Adv.","2017","7","77","48730","","10.1039/C7RA08789F","","x-ray","0.71073","MoKα","","0.1442","0.0839","","","0.2008","0.2468","","","","","","1","","","","has coordinates","202100","2020-10-21","18:00:00",""
"7229358","12.4374","0.0017","12.9596","0.0018","13.3757","0.0019","84.531","0.012","80.178","0.012","86.928","0.011","2113.1","0.5","295.42","0.1","295.42","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C39 H39 Ca Cl3 N4 O14 Zn2 -","- C39 H39 Ca Cl3 N4 O14 Zn2 -","- C78 H78 Ca2 Cl6 N8 O28 Zn4 -","2","1","","Wang, Li; Li, Xiao-Yan; Zhao, Qing; Li, Li-Hong; Dong, Wen-Kui","Fluorescence properties of heterotrinuclear Zn(ii)‒M(ii) (M = Ca, Sr and Ba) bis(salamo)-type complexes","RSC Adv.","2017","7","77","48730","","10.1039/C7RA08789F","","x-ray","0.71073","MoKα","","0.1055","0.0584","","","0.0913","0.1181","","","","","","1.037","","","","has coordinates","202100","2020-10-21","18:00:00",""
"7229359","12.547","0.0019","13.3336","0.0019","15.453","0.002","111.202","0.005","101.075","0.005","100.367","0.005","2275.8","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H38 N4 O14 Sr Zn2 -","- C38 H38 N4 O14 Sr Zn2 -","- C76 H76 N8 O28 Sr2 Zn4 -","2","1","","Wang, Li; Li, Xiao-Yan; Zhao, Qing; Li, Li-Hong; Dong, Wen-Kui","Fluorescence properties of heterotrinuclear Zn(ii)‒M(ii) (M = Ca, Sr and Ba) bis(salamo)-type complexes","RSC Adv.","2017","7","77","48730","","10.1039/C7RA08789F","","","0.71073","MoKα","","0.0662","0.0431","","","0.117","0.1247","","","","","","1.053","","","","has coordinates,has disorder","202100","2020-10-21","18:00:00",""
"7229360","5.6166","0.0003","10.8878","0.0009","16.1616","0.0007","98.989","0.005","90.256","0.004","98.291","0.006","965.61","0.11","100.01","0.1","100.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 N2 O3 -","- C12 H8 N2 O3 -","- C48 H32 N8 O12 -","4","2","","Green, Michael T.; Peczkowski, Gary R.; Al-Ani, Aneesa J.; Benjamin, Sophie L.; Simpkins, Nigel S.; Jones, Alan M.","Total synthesis and structural revision of a mangrove alkaloid","RSC Adv.","2017","7","77","48754","","10.1039/C7RA10483A","","x-ray","1.54184","CuKα","","0.0535","0.0451","","","0.1192","0.1247","","","","","","1.114","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229361","7.2887","0.0008","7.9722","0.0007","9.8335","0.001","95.529","0.008","103.372","0.009","115.216","0.01","490.45","0.1","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 N2 O3 -","- C12 H8 N2 O3 -","- C24 H16 N4 O6 -","2","1","","Green, Michael T.; Peczkowski, Gary R.; Al-Ani, Aneesa J.; Benjamin, Sophie L.; Simpkins, Nigel S.; Jones, Alan M.","Total synthesis and structural revision of a mangrove alkaloid","RSC Adv.","2017","7","77","48754","","10.1039/C7RA10483A","","x-ray","0.71073","MoKα","","0.063","0.0592","","","0.1652","0.169","","","","","","1.126","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229362","25.8352","0.0011","7.7514","0.0003","11.3697","0.0004","90","","102.229","0.004","90","","2225.22","0.15","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O4 -","- C12 H10 N2 O4 -","- C96 H80 N16 O32 -","8","2","","Green, Michael T.; Peczkowski, Gary R.; Al-Ani, Aneesa J.; Benjamin, Sophie L.; Simpkins, Nigel S.; Jones, Alan M.","Total synthesis and structural revision of a mangrove alkaloid","RSC Adv.","2017","7","77","48754","","10.1039/C7RA10483A","","x-ray","0.71073","MoKα","","0.0499","0.0426","","","0.1061","0.111","","","","","","1.08","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229365","11.9298","0.0004","7.9557","0.0003","12.2145","0.0004","90","","112.172","0.002","90","","1073.55","0.07","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cu N2 O2 -","- C26 H20 Cu N2 O2 -","- C52 H40 Cu2 N4 O4 -","2","0.5","","Zhao, Liang; Wei, Jianwei; Zhang, Feili; He, Cheng; Zheng, Sijia; Duan, Chunying","Redox-active copper triangles as an enzymatic molecular flask for light-driven hydrogen production","RSC Adv.","2017","7","77","48989","","10.1039/C7RA09285G","","","0.71073","MoKα","","0.0577","0.0391","","","0.103","0.1122","","","","","","1.03","","","","has coordinates","301865","2025-08-22","16:17:17",""
"7229370","7.5982","0.0012","7.5982","0.0012","13.294","0.003","90","","90","","90","","767.5","0.2","296","2","296","","","","","","","","","4","I -4","I -4","82","","ABTOX","","- C2 H8 N10 O2 -","- C2 H8 N10 O2 -","- C8 H32 N40 O8 -","4","0.5","","Jia, Jianhui; Liu, Yu; Huang, Shiliang; Xu, Jinjiang; Li, Shichun; Zhang, Haobin; Cao, Xiong","Crystal structure transformation and step-by-step thermal decomposition behavior of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate","RSC Adv.","2017","7","77","49105","","10.1039/C7RA08816G","","","0.71073","MoKα","","0.0539","0.0389","","","0.0967","0.1068","","","","","","1.078","","","","has coordinates,has disorder","202243","2020-10-21","18:00:00",""
"7229381","29.942","0.0003","12.1964","0.00013","6.85035","0.00008","90","","90","","90","","2501.64","0.05","100","2","100","","","","","","","","Aspergillus versicolor","4","P 21 21 2","P 2 2ab","18","","LZD-14-1-9","","- C26 H34 N4 O5 -","- C26 H34 N4 O5 -","- C104 H136 N16 O20 -","4","1","","Chen, Ran; Cheng, Zhongbin; Huang, Jian; Liu, Dong; Wu, Chongming; Guo, Peng; Lin, Wenhan","Versicotides D–F, new cyclopeptides with lipid-lowering activities","RSC Adv.","2017","7","78","49235","","10.1039/C7RA07940K","","x-ray","1.54184","CuKα","","0.0335","0.0327","","","0.0886","0.0895","","","","","","1.043","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229382","8.58993","0.00007","10.68072","0.00007","28.6559","0.0002","90","","90","","90","","2629.08","0.03","293","2","293","2","","","","","","","Aspergillus versicolor","4","P 21 21 21","P 2ac 2ab","19","","LZD-14-1-37","","- C27 H33 N5 O6 -","- C27 H33 N5 O6 -","- C108 H132 N20 O24 -","4","1","","Chen, Ran; Cheng, Zhongbin; Huang, Jian; Liu, Dong; Wu, Chongming; Guo, Peng; Lin, Wenhan","Versicotides D‒F, new cyclopeptides with lipid-lowering activities","RSC Adv.","2017","7","78","49235","","10.1039/C7RA07940K","","x-ray","1.54184","CuKα","","0.036","0.0354","","","0.0991","0.0997","","","","","","1.036","","","","has coordinates","202267","2020-10-21","18:00:00",""
"7229383","9.91935","0.00009","8.16154","0.00007","15.73111","0.00016","90","","92.8934","0.0009","90","","1271.92","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","LZD-14-1-4","","- C26 H33 N5 O6 -","- C26 H33 N5 O6 -","- C52 H66 N10 O12 -","2","1","","Chen, Ran; Cheng, Zhongbin; Huang, Jian; Liu, Dong; Wu, Chongming; Guo, Peng; Lin, Wenhan","Versicotides D–F, new cyclopeptides with lipid-lowering activities","RSC Adv.","2017","7","78","49235","","10.1039/C7RA07940K","","x-ray","1.54184","CuKα","","0.0281","0.0276","","","0.0691","0.0697","","","","","","1.068","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229384","10.2454","0.0014","23.167","0.003","19.249","0.002","90","","103.024","0.002","90","","4451.3","1","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H41 Co N7 O4 -","- C52 H41 Co N7 O4 -","- C208 H164 Co4 N28 O16 -","4","1","","Li, Yueqin; Yang, Zhiwei; Zhou, Minya; Li, Yun","Synthesis and crystal structure of new monometallic Ni(ii) and Co(ii) complexes with an asymmetrical aroylhydrazone: effects of the complexes on DNA/protein binding property, molecular docking, and in vitro anticancer activity","RSC Adv.","2017","7","78","49404","","10.1039/C7RA10283F","","","0.71073","MoKα","","0.1123","0.0517","","","0.1157","0.1489","","","","","","1.011","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229385","10.252","0.005","23.344","0.011","19.134","0.009","90","","103.243","0.006","90","","4457","4","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H41 N7 Ni O4 -","- C52 H41 N7 Ni O4 -","- C208 H164 N28 Ni4 O16 -","4","1","","Li, Yueqin; Yang, Zhiwei; Zhou, Minya; Li, Yun","Synthesis and crystal structure of new monometallic Ni(ii) and Co(ii) complexes with an asymmetrical aroylhydrazone: effects of the complexes on DNA/protein binding property, molecular docking, and in vitro anticancer activity","RSC Adv.","2017","7","78","49404","","10.1039/C7RA10283F","","","0.71073","MoKα","","0.1882","0.1038","","","0.2644","0.3059","","","","","","0.989","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229393","8.7588","0.0012","15.745","0.002","17.316","0.002","90","","99.308","0.002","90","","2356.6","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H26 N2 O5 S -","- C26 H26 N2 O5 S -","- C104 H104 N8 O20 S4 -","4","2","","Shen, Chao; Yang, Ming; Xu, Jun; Chen, Chao; Zheng, Kai; Shen, Jiabing; Zhang, Pengfei","Iodobenzene-catalyzed synthesis of aryl sulfonate esters from aminoquinolines via remote radical C–O cross-coupling","RSC Adv.","2017","7","78","49436","","10.1039/C7RA09053F","","","0.71073","MoKα","","0.0643","0.0455","","","0.119","0.1417","","","","","","1.043","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229394","8.9158","0.0009","9.195","0.0009","29.183","0.003","90","","95.779","0.002","90","","2380.3","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Cl N2 O6 S -","- C26 H21 Cl N2 O6 S -","- C104 H84 Cl4 N8 O24 S4 -","4","1","","Shen, Chao; Yang, Ming; Xu, Jun; Chen, Chao; Zheng, Kai; Shen, Jiabing; Zhang, Pengfei","Iodobenzene-catalyzed synthesis of aryl sulfonate esters from aminoquinolines via remote radical C–O cross-coupling","RSC Adv.","2017","7","78","49436","","10.1039/C7RA09053F","","","0.71073","MoKα","","0.059","0.0422","","","0.1186","0.1385","","","","","","1.047","","","","has coordinates,has disorder","301865","2025-08-22","16:17:18",""
"7229398","10.0453","0.0011","13.561","0.003","13.8814","0.0015","113.863","0.002","108.606","0.001","92.439","0.002","1606.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H29 F2 N O6 -","- C34 H29 F2 N O6 -","- C68 H58 F4 N2 O12 -","2","1","","Hu, Qiong; Li, Lidong; Yin, Fei; Zhang, Hao; Hu, Yadong; Liu, Baohua; Hu, Yimin","Fused multifunctionalized isoindole-1,3-diones via the coupled oxidation of imidazoles and tetraynes","RSC Adv.","2017","7","78","49810","","10.1039/C7RA08817E","","","0.71073","MoKα","","0.1659","0.1285","","","0.3785","0.4446","","","","","","1.027","","","","has coordinates","202347","2020-10-21","18:00:00",""
"7229399","9.1935","0.0008","24.235","0.002","30.404","0.003","90","","90","","90","","6774.1","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H33 Cl2 N3 O4 -","- C38 H33 Cl2 N3 O4 -","- C304 H264 Cl16 N24 O32 -","8","1","","Hu, Qiong; Li, Lidong; Yin, Fei; Zhang, Hao; Hu, Yadong; Liu, Baohua; Hu, Yimin","Fused multifunctionalized isoindole-1,3-diones via the coupled oxidation of imidazoles and tetraynes","RSC Adv.","2017","7","78","49810","","10.1039/C7RA08817E","","","0.71073","MoKα","","0.1477","0.0883","","","0.2628","0.309","","","","","","1.041","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229400","17.038","0.002","20.632","0.003","29.069","0.004","90","","90","","90","","10219","2","296","2","296.15","","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C42 H38 Cd3 N2 O21 -","- C42 H20 Cd3 N2 O17 -","- C336 H160 Cd24 N16 O136 -","8","1","","Du, Jian-Long; Gao, Ju-Ping; Li, Chao-Ping; Zhang, Xiao-Ying; Hou, Jin-Xin; Jing, Xu; Mu, Ya-Juan; Li, Li-Jun","A stable 3D Cd(ii) metal‒organic framework for highly sensitive detection of Cu2+ ions and nitroaromatic explosives","RSC Adv.","2017","7","78","49618","","10.1039/C7RA08977E","","","0.71073","MoKα","","0.0901","0.0611","","","0.1678","0.1917","","","","","","1.025","","","","has coordinates,has disorder","202349","2020-10-21","18:00:00",""
"7229401","12.878","0.005","24.058","0.005","16.567","0.005","90","","128.376","0.019","90","","4024","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H53 Dy N2 O6 -","- C39 H53 Dy N2 O6 -","- C156 H212 Dy4 N8 O24 -","4","1","","Shi, Chao; Nie, Rong; Yao, Xu; Fan, Siqi; An, Guanghui; Dong, Yanping; Li, Guangming","Asymmetry-unit-dominated double slow-relaxation modes of 2,6-dimethyl-3,5-heptanedione dysprosium SMMs","RSC Adv.","2017","7","78","49701","","10.1039/C7RA09711E","","","0.71069","MoKα","","0.0484","0.0346","","","0.0752","0.0839","","","","","","1.097","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229402","16.643","0.005","12.983","0.005","18.688","0.004","90","","119.996","0.018","90","","3497","2","293","2","293","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C28 H48 Dy O7 -","- C28 H48 Dy O7 -","- C112 H192 Dy4 O28 -","4","1","","Shi, Chao; Nie, Rong; Yao, Xu; Fan, Siqi; An, Guanghui; Dong, Yanping; Li, Guangming","Asymmetry-unit-dominated double slow-relaxation modes of 2,6-dimethyl-3,5-heptanedione dysprosium SMMs","RSC Adv.","2017","7","78","49701","","10.1039/C7RA09711E","","","0.71069","MoKα","","0.1075","0.0667","","","0.1504","0.1791","","","","","","0.995","","","","has coordinates","202350","2020-10-21","18:00:00",""
"7229403","13.266","0.005","16.803","0.005","18.056","0.005","92.267","0.005","94.493","0.005","92.591","0.005","4005","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H47 Dy N2 O6 -","- C37 H47 Dy N2 O6 -","- C148 H188 Dy4 N8 O24 -","4","2","","Shi, Chao; Nie, Rong; Yao, Xu; Fan, Siqi; An, Guanghui; Dong, Yanping; Li, Guangming","Asymmetry-unit-dominated double slow-relaxation modes of 2,6-dimethyl-3,5-heptanedione dysprosium SMMs","RSC Adv.","2017","7","78","49701","","10.1039/C7RA09711E","","","0.71069","MoKα","","0.115","0.0598","","","0.1211","0.1523","","","","","","1.036","","","","has coordinates","202350","2020-10-21","18:00:00",""
"7229404","12.91","0.005","16.376","0.005","17.851","0.005","90.622","0.005","94.243","0.005","90.447","0.005","3763","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H53 Lu N2 O6 -","- C37 H52.5 Lu N2 O6 -","- C148 H210 Lu4 N8 O24 -","4","2","","Shi, Chao; Nie, Rong; Yao, Xu; Fan, Siqi; An, Guanghui; Dong, Yanping; Li, Guangming","Asymmetry-unit-dominated double slow-relaxation modes of 2,6-dimethyl-3,5-heptanedione dysprosium SMMs","RSC Adv.","2017","7","78","49701","","10.1039/C7RA09711E","","","0.71069","MoKα","","0.0398","0.0297","","","0.0616","0.0672","","","","","","1.07","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7229405","12.96001","0.00014","7.01939","0.0001","25.091","0.0003","90","","97.77","0.001","90","","2261.61","0.05","150.4","0.5","150.4","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ga-HBED.H2O","","- C22 H26 Ga N3 O7 -","- C22 H26 Ga N3 O7 -","- C88 H104 Ga4 N12 O28 -","4","1","","Tsionou, Maria Iris; Knapp, Caroline E.; Foley, Calum A.; Munteanu, Catherine R.; Cakebread, Andrew; Imberti, Cinzia; Eykyn, Thomas R.; Young, Jennifer D.; Paterson, Brett M.; Blower, Philip J.; Ma, Michelle T.","Comparison of macrocyclic and acyclic chelators for gallium-68 radiolabelling","RSC Adv.","2017","7","78","49586","","10.1039/C7RA09076E","","x-ray","1.54184","CuKα","","0.0351","0.0292","","","0.0721","0.0747","","","","","","1.026","","","","has coordinates","202351","2020-10-21","18:00:00",""
"7229409","12.208","0.003","13.002","0.003","16.101","0.004","90","","104.197","0.004","90","","2477.6","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22.5 H20.5 N5.5 O6.5 Zn -","- C21 H13 N5 O4 Zn -","- C84 H52 N20 O16 Zn4 -","4","1","","Li, Huijun; He, Yaling; Li, Qingqing; Li, Shaojie; Yi, Zhihao; Xu, Zhouqing; Wang, Yuan","Highly sensitive and selective fluorescent probe for Fe3+ and hazardous phenol compounds based on a water-stable Zn-based metal‒organic framework in aqueous media","RSC Adv.","2017","7","79","50035","","10.1039/C7RA08427G","","","0.71073","MoKα","","0.0698","0.0425","","","0.1029","0.1129","","","","","","1.008","","","","has coordinates","202374","2020-10-21","18:00:00",""
"7229410","10.8825","0.0001","13.4584","0.0001","13.6472","0.0001","90","","90","","90","","1998.78","0.03","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O5 -","- C23 H30 O5 -","- C92 H120 O20 -","4","1","","Zhang, Panpan; Li, Yongfang; Jia, Chunxiu; Lang, Jiajia; Niaz, Shah-Iram; Li, Jing; Yuan, Jie; Yu, Jianchen; Chen, Senhua; Liu, Lan","Antiviral and anti-inflammatory meroterpenoids: stachybonoids A–F from the crinoid-derived fungus Stachybotrys chartarum 952","RSC Adv.","2017","7","79","49910","","10.1039/C7RA09859F","","","1.54178","CuKα","","0.028","0.0278","","","0.0709","0.071","","","","","","1.078","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229411","25.2277","0.0015","8.2188","0.0004","17.5148","0.0009","90","","99.025","0.005","90","","3586.6","0.3","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H27 N5 O -","- C18 H27 N5 O -","- C144 H216 N40 O8 -","8","1","","Chandgude, Ajay L.; Narducci, Daniele; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Diastereoselective one pot five-component reaction toward 4-(tetrazole)-1,3-oxazinanes","RSC Adv.","2017","7","79","49995","","10.1039/C7RA07392E","","","0.71073","MoKα","","0.109","0.0574","","","0.1052","0.1273","","","","","","1.07","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229412","12.4795","0.0008","15.9839","0.0007","10.6108","0.0008","90","","112.921","0.008","90","","1949.4","0.2","129.6","0.8","129.6","0.8","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H35 N5 O -","- C18 H35 N5 O -","- C72 H140 N20 O4 -","4","1","","Chandgude, Ajay L.; Narducci, Daniele; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Diastereoselective one pot five-component reaction toward 4-(tetrazole)-1,3-oxazinanes","RSC Adv.","2017","7","79","49995","","10.1039/C7RA07392E","","x-ray","0.71073","MoKα","","0.0576","0.0424","","","0.0991","0.1108","","","","","","1.038","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229413","14.3031","0.0012","18.7654","0.0016","20.9726","0.0017","81.03","0.002","84.861","0.002","79.291","0.002","5452.8","0.8","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C53 H44 I O3 P4 Rh2 -","- C53 H44 I O3 P4 Rh2 -","- C212 H176 I4 O12 P16 Rh8 -","4","2","","Chen, Yingzan; Liu, Dianhua; Yu, Yi","Insights into the ligand effects of rhodium catalysts toward reductive carbonylation of methanol to ethanol","RSC Adv.","2017","7","79","49875","","10.1039/C7RA10739K","","","0.71073","MoKα","","0.0932","0.053","","","0.1061","0.1191","","","","","","0.893","","","","has coordinates,has disorder","202377","2020-10-21","18:00:00",""
"7229417","7.056","0.003","7.075","0.003","8.029","0.003","102.381","0.005","95.387","0.006","90.552","0.006","389.6","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- Ca2.92 H0.8 Na2 O18 Si6 Tb1.08 -","- Ca2.92 H0.8 Na2 O18 Si6 Tb1.08 -","- Ca2.92 H0.8 Na2 O18 Si6 Tb1.08 -","1","0.5","","Bao, Xinjian; Liu, Xiaoyang; Liu, Xi","High-pressure synthesis, crystal structure and photoluminescence properties of a new terbium silicate: Na2Tb1.08Ca2.92Si6O18H0.8","RSC Adv.","2017","7","79","50195","","10.1039/C7RA10182A","","","0.71073","MoKα","","0.0506","0.0502","","","0.1186","0.1188","","","","","","1.015","","","","has coordinates","202402","2020-10-21","18:00:00",""
"7229418","14.4184","0.0016","8.3825","0.0008","9.4836","0.0009","90","","118.531","0.001","90","","1007.01","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Co N8 O4 -","- C6 H6 Co N8 O4 -","- C24 H24 Co4 N32 O16 -","4","0.5","","Yan, Tong; Du, Lin; Sun, Lin; Zhang, Xiao-Feng; Wang, Tao; Feng, Jing; Zhou, Jie; Zhao, Qi-Hua","The diversities of magnetic behaviors appearing simultaneously in three isomorphs based on 1H-tetrazolyl-acetic acid ligand","RSC Adv.","2017","7","79","50150","","10.1039/C7RA07997D","","","0.71073","MoKα","","0.0236","0.023","","","0.0617","0.0624","","","","","","1.003","","","","has coordinates","202403","2020-10-21","18:00:00",""
"7229419","14.722","0.0015","8.4723","0.0009","9.6326","0.001","90","","119.062","0.001","90","","1050.2","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Mn N8 O4 -","- C6 H6 Mn N8 O4 -","- C24 H24 Mn4 N32 O16 -","4","0.5","","Yan, Tong; Du, Lin; Sun, Lin; Zhang, Xiao-Feng; Wang, Tao; Feng, Jing; Zhou, Jie; Zhao, Qi-Hua","The diversities of magnetic behaviors appearing simultaneously in three isomorphs based on 1H-tetrazolyl-acetic acid ligand","RSC Adv.","2017","7","79","50150","","10.1039/C7RA07997D","","","0.71073","MoKα","","0.0243","0.0234","","","0.0634","0.064","","","","","","1.001","","","","has coordinates","202403","2020-10-21","18:00:00",""
"7229420","14.285","0.002","8.3073","0.0014","9.47","0.0016","90","","118.178","0.002","90","","990.6","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 N8 Ni O4 -","- C6 H6 N8 Ni O4 -","- C24 H24 N32 Ni4 O16 -","4","0.5","","Yan, Tong; Du, Lin; Sun, Lin; Zhang, Xiao-Feng; Wang, Tao; Feng, Jing; Zhou, Jie; Zhao, Qi-Hua","The diversities of magnetic behaviors appearing simultaneously in three isomorphs based on 1H-tetrazolyl-acetic acid ligand","RSC Adv.","2017","7","79","50150","","10.1039/C7RA07997D","","","0.71073","MoKα","","0.0319","0.0271","","","0.0695","0.0727","","","","","","0.998","","","","has coordinates","202403","2020-10-21","18:00:00",""
"7229456","12.0528","0.0007","7.544","0.0003","40.438","0.002","90","","90.907","0.005","90","","3676.4","0.3","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 S -","- C23 H20 N2 S -","- C184 H160 N16 S8 -","8","2","","Fu, Hong-Yu; Liu, Xiao-Jing; Xia, Min","Tunable solid state emission of novel V-shaped fluorophores by subtle structure modification: polymorphism, mechanofluoro-chromism and micro-fabrication","RSC Adv.","2017","7","80","50720","","10.1039/C7RA10432D","","","0.71073","MoKα","","0.0723","0.0549","","","0.1199","0.1334","","","","","","1.059","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229457","6.1982","0.0005","24.956","0.002","10.855","0.0009","90","","97.234","0.008","90","","1665.7","0.2","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 N2 S -","- C21 H18 N2 S -","- C84 H72 N8 S4 -","4","1","","Fu, Hong-Yu; Liu, Xiao-Jing; Xia, Min","Tunable solid state emission of novel V-shaped fluorophores by subtle structure modification: polymorphism, mechanofluoro-chromism and micro-fabrication","RSC Adv.","2017","7","80","50720","","10.1039/C7RA10432D","","","0.71073","MoKα","","0.0741","0.0592","","","0.142","0.1526","","","","","","1.079","","","","has coordinates","202472","2020-10-21","18:00:00",""
"7229458","13.2342","0.0007","13.5131","0.0007","13.7025","0.0007","98.006","0.001","116.199","0.001","93.349","0.001","2157.4","0.2","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","[Fe(TrIm)4(OTf)2]","","- C98 H92 F6 Fe N8 O8 S2 -","- C98 H92 F6 Fe N8 O8 S2 -","- C98 H92 F6 Fe N8 O8 S2 -","1","0.5","","Li, Jia; Banerjee, Atanu; Hasse, Timothy A.; Loloee, Reza; Biros, Shannon M.; Staples, Richard J.; Chavez, Ferman A.","Synthesis and reactivity of a 4His enzyme model complex","RSC Adv.","2017","7","80","50713","","10.1039/C7RA09456F","","","0.71073","MoKα","","0.0508","0.0384","","","0.0948","0.1032","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229459","13.948","0.003","15.6771","0.0017","11.2006","0.0016","90","","109.177","0.018","90","","2313.3","0.7","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","trans-5,15-bis(pentafluorophenyl)-10,20-bis(3,4-dimethoxyphenyl)porphyrin (P1)","","- C50 H30 Cl6 F10 N4 O4 -","- C50 H30 Cl6 F10 N4 O4 -","- C100 H60 Cl12 F20 N8 O8 -","2","0.5","","Antonangelo, A. R.; Westrup, K. C. M.; Burt, L. A.; Bezzu, C. Grazia; Malewschik, T.; Machado, G. S.; Nunes, F. S.; McKeown, N. B.; Nakagaki, S.","Synthesis, crystallographic characterization and homogeneous catalytic activity of novel unsymmetric porphyrins","RSC Adv.","2017","7","80","50610","","10.1039/C7RA08734A","","x-ray","0.6889","Synchrotron","","0.116","0.0725","","","0.1897","0.2565","","","","","","1.04","","","","has coordinates","202474","2020-10-21","18:00:00",""
"7229460","12.0821","0.0002","17.9808","0.0002","22.7546","0.0003","90","","96.032","0.001","90","","4915.97","0.12","199.97","0.14","200","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","Cis-5,10-bis(pentafluorophenyl)-15,20-bis(3,4-dimethoxyphenyl)porphyrin","","- C50 H30 Cl6 F10 N4 O4 -","- C50 H30 Cl6 F10 N4 O4 -","- C200 H120 Cl24 F40 N16 O16 -","4","0.5","","Antonangelo, A. R.; Westrup, K. C. M.; Burt, L. A.; Bezzu, C. Grazia; Malewschik, T.; Machado, G. S.; Nunes, F. S.; McKeown, N. B.; Nakagaki, S.","Synthesis, crystallographic characterization and homogeneous catalytic activity of novel unsymmetric porphyrins","RSC Adv.","2017","7","80","50610","","10.1039/C7RA08734A","","x-ray","1.54184","CuKα","","0.0708","0.0659","","","0.1873","0.1943","","","","","","1.034","","","","has coordinates,has disorder","202474","2020-10-21","18:00:00",""
"7229461","11.536","0.0002","26.8989","0.0006","15.0809","0.0003","90","","109.961","0.002","90","","4398.56","0.16","120.01","0.1","120","","","","","","","","","5","C 1 c 1","C -2yc","9","","5,10,15-tris(pentafluorophenyl)-20-(3,4-dimethoxyphenyl)porphyrin","","- C47 H22 F15 N4 O3 -","- C47 H22 F15 N4 O3 -","- C188 H88 F60 N16 O12 -","4","1","","Antonangelo, A. R.; Westrup, K. C. M.; Burt, L. A.; Bezzu, C. Grazia; Malewschik, T.; Machado, G. S.; Nunes, F. S.; McKeown, N. B.; Nakagaki, S.","Synthesis, crystallographic characterization and homogeneous catalytic activity of novel unsymmetric porphyrins","RSC Adv.","2017","7","80","50610","","10.1039/C7RA08734A","","x-ray","1.54184","CuKα","","0.1079","0.1043","","","0.2897","0.3001","","","","","","1.392","","","","has coordinates,has disorder","202474","2020-10-21","18:00:00",""
"7229463","13.578","0.003","10.2118","0.0019","9.1356","0.0017","90","","97.423","0.004","90","","1256.1","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(E)-4-benzylidene-3,4-dihydro-2H-pyrrol-1-ium 2,2,2-trifluoroacetate","(E)-4-benzylidene-3,4-dihydro-2H-pyrrol-1-ium 2,2,2-trifluoroacetate","","- C13 H12 F3 N O2 -","- C13 H12 F3 N O2 -","- C52 H48 F12 N4 O8 -","4","1","","Smolobochkin, A. V.; Gazizov, A. S.; Melyashova, A. S.; Voronina, J. K.; Strelnik, A. G.; Vatsadze, S. Z.; Burilov, A. R.; Pudovik, M. A.; Fedorova, O. A.; Sinyashin, O. G.","Tandem intramolecular cyclisation/1,3-aryl shift in N-(4,4-diethoxybutyl)-1-arylmethanimines (Kazan reaction): synthesis of 3-benzylidene-1-pyrrolines","RSC Advances","2017","7","80","50955","","10.1039/C7RA11216E","","","0.71073","MoKα","","0.123","0.043","","","0.089","0.1166","","","","","","1.06","","","","has coordinates,has disorder","202514","2020-10-21","18:00:00",""
"7229464","7.961","0.005","10.047","0.007","10.047","0.007","115.086","0.007","106.138","0.008","90.896","0.008","690.8","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","(E)-4-(4-methoxybenzylidene)-3,4-dihydro-2H-pyrrol-1-ium 2,2,2-trifluoroacetate","(E)-4-(4-methoxybenzylidene)-3,4-dihydro-2H-pyrrol-1-ium 2,2,2-trifluoroacetate","","- C14 H14 F3 N O3 -","- C14 H14 F3 N O3 -","- C28 H28 F6 N2 O6 -","2","1","","Smolobochkin, A. V.; Gazizov, A. S.; Melyashova, A. S.; Voronina, J. K.; Strelnik, A. G.; Vatsadze, S. Z.; Burilov, A. R.; Pudovik, M. A.; Fedorova, O. A.; Sinyashin, O. G.","Tandem intramolecular cyclisation/1,3-aryl shift in N-(4,4-diethoxybutyl)-1-arylmethanimines (Kazan reaction): synthesis of 3-benzylidene-1-pyrrolines","RSC Advances","2017","7","80","50955","","10.1039/C7RA11216E","","","0.71073","MoKα","","0.0777","0.056","","","0.1688","0.1884","","","","","","1.264","","","","has coordinates","202514","2020-10-21","18:00:00",""
"7229465","5.038","0.002","24.005","0.011","12.287","0.006","90","","99.804","0.006","90","","1464.3","1.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(E)-3-benzylidene-2-(2-oxopropyl)pyrrolidin-1-ium chloride","(E)-3-benzylidene-2-(2-oxopropyl)pyrrolidin-1-ium chloride","","- C14 H17 Br Cl N O -","- C14 H17 Br Cl N O -","- C56 H68 Br4 Cl4 N4 O4 -","4","1","","Smolobochkin, A. V.; Gazizov, A. S.; Melyashova, A. S.; Voronina, J. K.; Strelnik, A. G.; Vatsadze, S. Z.; Burilov, A. R.; Pudovik, M. A.; Fedorova, O. A.; Sinyashin, O. G.","Tandem intramolecular cyclisation/1,3-aryl shift in N-(4,4-diethoxybutyl)-1-arylmethanimines (Kazan reaction): synthesis of 3-benzylidene-1-pyrrolines","RSC Advances","2017","7","80","50955","","10.1039/C7RA11216E","","","0.71073","MoKα","","0.0578","0.0381","","","0.0628","0.0647","","","","","","1.893","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229466","23.9","0.04","5.288","0.009","10.524","0.019","90","","90","","90","","1330","4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","(E)-4-(3-fluorobenzylidene)-3,4-dihydro-2H-pyrrol-1-ium 2,2,2-trifluoroacetate","(E)-4-(3-fluorobenzylidene)-3,4-dihydro-2H-pyrrol-1-ium 2,2,2-trifluoroacetate","","- C13 H11 F4 N O2 -","- C13 H11 F4 N O2 -","- C52 H44 F16 N4 O8 -","4","1","","Smolobochkin, A. V.; Gazizov, A. S.; Melyashova, A. S.; Voronina, J. K.; Strelnik, A. G.; Vatsadze, S. Z.; Burilov, A. R.; Pudovik, M. A.; Fedorova, O. A.; Sinyashin, O. G.","Tandem intramolecular cyclisation/1,3-aryl shift in N-(4,4-diethoxybutyl)-1-arylmethanimines (Kazan reaction): synthesis of 3-benzylidene-1-pyrrolines","RSC Advances","2017","7","80","50955","","10.1039/C7RA11216E","","","0.71073","MoKα","","0.1116","0.0647","","","0.1684","0.2017","","","","","","0.967","","","","has coordinates,has disorder","202514","2020-10-21","18:00:00",""
"7229467","9.6735","0.0009","17.4644","0.0011","12.1452","0.0013","90","","103.407","0.01","90","","1995.9","0.3","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 Cu N7 O7 -","- C16 H19 Cu N7 O7 -","- C64 H76 Cu4 N28 O28 -","4","1","","Wałęsa-Chorab, Monika; Banasz, Radosław; Marcinkowski, Damian; Kubicki, Maciej; Patroniak, Violetta","Electrochromism and electrochemical properties of complexes of transition metal ions with benzimidazole-based ligand","RSC Advances","2017","7","80","50858","","10.1039/C7RA10451K","","x-ray","0.71073","MoKα","","0.0792","0.0551","","","0.1325","0.1424","","","","","","1.054","","","","has coordinates","202515","2020-10-21","18:00:00",""
"7229468","9.6841","0.0012","10.0927","0.0009","10.4709","0.0009","91.231","0.007","92.328","0.008","117.823","0.011","903.4","0.18","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 Br2 Cu N5 O -","- C16 H19 Br2 Cu N5 O -","- C32 H38 Br4 Cu2 N10 O2 -","2","1","","Wałęsa-Chorab, Monika; Banasz, Radosław; Marcinkowski, Damian; Kubicki, Maciej; Patroniak, Violetta","Electrochromism and electrochemical properties of complexes of transition metal ions with benzimidazole-based ligand","RSC Advances","2017","7","80","50858","","10.1039/C7RA10451K","","x-ray","0.71073","MoKα","","0.0327","0.0283","","","0.0713","0.0741","","","","","","1.048","","","","has coordinates","202515","2020-10-21","18:00:00",""
"7229469","7.6305","0.0005","8.9863","0.0005","13.5352","0.0008","83.946","0.005","75.427","0.006","67.854","0.006","831.92","0.1","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Br2 Mn N5 -","- C15 H15 Br2 Mn N5 -","- C30 H30 Br4 Mn2 N10 -","2","1","","Wałęsa-Chorab, Monika; Banasz, Radosław; Marcinkowski, Damian; Kubicki, Maciej; Patroniak, Violetta","Electrochromism and electrochemical properties of complexes of transition metal ions with benzimidazole-based ligand","RSC Advances","2017","7","80","50858","","10.1039/C7RA10451K","","x-ray","0.71073","MoKα","","0.0287","0.0245","","","0.0566","0.0587","","","","","","1.075","","","","has coordinates","202515","2020-10-21","18:00:00",""
"7229470","8.0767","0.0003","11.3717","0.0005","13.9815","0.0008","76.3","0.004","82.265","0.004","85.663","0.003","1234.98","0.1","120","1","120","1","","","","","","","","7","P -1","-P 1","2","","","","- C18 H19 Cu F6 N5 O7 S2 -","- C18 H19 Cu F6 N5 O7 S2 -","- C36 H38 Cu2 F12 N10 O14 S4 -","2","1","","Wałęsa-Chorab, Monika; Banasz, Radosław; Marcinkowski, Damian; Kubicki, Maciej; Patroniak, Violetta","Electrochromism and electrochemical properties of complexes of transition metal ions with benzimidazole-based ligand","RSC Advances","2017","7","80","50858","","10.1039/C7RA10451K","","x-ray","0.71073","MoKα","","0.0321","0.0273","","","0.0685","0.0709","","","","","","1.035","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229471","11.59108","0.00013","15.95415","0.00019","20.3432","0.0003","90","","90","","90","","3761.98","0.08","130","1","130","1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H21 Cl2 Co N5 O -","- C17 H21 Cl2 Co N5 O -","- C136 H168 Cl16 Co8 N40 O8 -","8","1","","Wałęsa-Chorab, Monika; Banasz, Radosław; Marcinkowski, Damian; Kubicki, Maciej; Patroniak, Violetta","Electrochromism and electrochemical properties of complexes of transition metal ions with benzimidazole-based ligand","RSC Advances","2017","7","80","50858","","10.1039/C7RA10451K","","x-ray","1.54184","CuKα","","0.052","0.0499","","","0.1488","0.152","","","","","","1.051","","","","has coordinates","202515","2020-10-21","18:00:00",""
"7229472","9.7491","0.0003","16.1976","0.0004","24.3248","0.0006","90","","95.452","0.002","90","","3823.8","0.18","180","1","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 F6 Fe N11 O6 S2 -","- C34 H33 F6 Fe N11 O6 S2 -","- C136 H132 F24 Fe4 N44 O24 S8 -","4","1","","Wałęsa-Chorab, Monika; Banasz, Radosław; Marcinkowski, Damian; Kubicki, Maciej; Patroniak, Violetta","Electrochromism and electrochemical properties of complexes of transition metal ions with benzimidazole-based ligand","RSC Advances","2017","7","80","50858","","10.1039/C7RA10451K","","","0.7107","MoKα","","0.061","0.0495","","","0.1221","0.1302","","","","","","1.037","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229473","10.9782","0.0013","11.233","0.0014","16.728","0.002","90","","90","","90","","2062.9","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N2 O6 S -","- C18 H24 N2 O6 S -","- C72 H96 N8 O24 S4 -","4","1","","Li, Guijun; Xu, Xiaoliang; Tian, Hongchang; Liu, Xiaotong; Chen, Wen; Yang, Xiaodong; Zhang, Hongbin","Asymmetric synthesis of δ-amino acid derivatives via diastereoselective vinylogous Mannich reactions between N-tert-butanesulfinyl imines and dioxinone-derived lithium dienolate","RSC Advances","2017","7","80","50822","","10.1039/C7RA10529K","","","0.71073","MoKα","","0.0383","0.0338","","","0.0876","0.0913","","","","","","1.066","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229474","10.0662","0.0014","15.17","0.002","17.178","0.002","90","","90","","90","","2623.2","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H29 Br N2 O5 S -","- C26 H29 Br N2 O5 S -","- C104 H116 Br4 N8 O20 S4 -","4","1","","Li, Guijun; Xu, Xiaoliang; Tian, Hongchang; Liu, Xiaotong; Chen, Wen; Yang, Xiaodong; Zhang, Hongbin","Asymmetric synthesis of δ-amino acid derivatives via diastereoselective vinylogous Mannich reactions between N-tert-butanesulfinyl imines and dioxinone-derived lithium dienolate","RSC Advances","2017","7","80","50822","","10.1039/C7RA10529K","","","0.71073","MoKα","","0.0544","0.0347","","","0.0662","0.0716","","","","","","0.985","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229475","10.551","0.007","11.366","0.008","16.422","0.011","90","","90","","90","","1969","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O4 S -","- C18 H25 N O4 S -","- C72 H100 N4 O16 S4 -","4","1","","Li, Guijun; Xu, Xiaoliang; Tian, Hongchang; Liu, Xiaotong; Chen, Wen; Yang, Xiaodong; Zhang, Hongbin","Asymmetric synthesis of δ-amino acid derivatives via diastereoselective vinylogous Mannich reactions between N-tert-butanesulfinyl imines and dioxinone-derived lithium dienolate","RSC Advances","2017","7","80","50822","","10.1039/C7RA10529K","","","0.71073","MoKα","","0.1202","0.0525","","","0.1073","0.1263","","","","","","0.945","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229476","16.1444","0.0009","16.5294","0.0009","19.7875","0.0011","90","","90","","90","","5280.4","0.5","173","2","172.99","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H36 O6 -","- C29 H36 O6 -","- C232 H288 O48 -","8","2","","Sun, Zhenliang; Lv, Zhiliang; Hu, Bin; Zhang, Jifa; Du, Peng; Wang, Man; Xiao, Linlin; Yang, Peiming","Isolation, structure elucidation, and KDD study of (−)-Celosine, a new skeleton with potent anti-atherosclerosis activity","RSC Advances","2017","7","80","50875","","10.1039/C7RA08683K","","","1.54178","CuKα","","0.0541","0.052","","","0.1369","0.1392","","","","","","1.069","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229490","6.9778","0.0001","12.4862","0.0002","12.6501","0.0002","90","","93.808","0.002","90","","1099.72","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N5 O -","- C12 H11 N5 O -","- C48 H44 N20 O4 -","4","1","","Lim, Felicia Phei Lin; Low, Szy Teng; Ho, Elvina Lee King; Halcovitch, Nathan R.; Tiekink, Edward R. T.; Dolzhenko, Anton V.","A multicomponent reaction of 2-aminoimidazoles: microwave-assisted synthesis of novel 5-aza-7-deaza-adenines","RSC Advances","2017","7","81","51062","","10.1039/C7RA11305F","","x-ray","0.71073","MoKα","","0.0453","0.0399","","","0.1095","0.1139","","","","","","1.021","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229491","17.9427","0.0008","26.5356","0.0012","8.4262","0.0004","90","","101.462","0.001","90","","3931.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 Cd N6 O4 P -","- C28 H21 Cd N6 O4 P -","- C112 H84 Cd4 N24 O16 P4 -","4","1","","Guo, Mingming; Guo, Huadong; Liu, Siyu; Sun, Yingying; Guo, Xianmin","A microporous cationic metal‒organic framework for the efficient removal of dichromate and the selective adsorption of dyes from water","RSC Advances","2017","7","80","51021","","10.1039/C7RA09429A","","","0.71073","MoKα","","0.0358","0.0322","","","0.0806","0.082","","","","","","1.078","","","","has coordinates,has disorder","202543","2020-10-21","18:00:00",""
"7229496","11.2017","0.0003","17.1297","0.0004","9.488","0.0002","90","","112.712","0.003","90","","1679.4","0.08","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 Cl4 Cu2 N6 -","- C32 H22 Cl4 Cu2 N6 -","- C64 H44 Cl8 Cu4 N12 -","2","0.5","","Zhao, Jin'an; Zhi, Shuangcheng; Yu, Huaibin; Mao, Ruina; Hu, Jiyong; Song, Wei; Zhang, Junshuai","Mitochondrial and nuclear DNA dual damage induced by 2-(2′-quinolyl)benzimidazole copper complexes with potential anticancer activity","RSC Advances","2017","7","81","51162","","10.1039/C7RA09102H","","","1.54184","CuKα","","0.0476","0.0432","","","0.1218","0.1266","","","","","","1.103","","","","has coordinates","202595","2020-10-21","18:00:00",""
"7229497","9.81614","0.00017","15.9919","0.0003","18.4289","0.0003","90","","96.1399","0.0017","90","","2876.35","0.09","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H26 Br Cu N3 P -","- C34 H26 Br Cu N3 P -","- C136 H104 Br4 Cu4 N12 P4 -","4","1","","Zhao, Jin'an; Zhi, Shuangcheng; Yu, Huaibin; Mao, Ruina; Hu, Jiyong; Song, Wei; Zhang, Junshuai","Mitochondrial and nuclear DNA dual damage induced by 2-(2′-quinolyl)benzimidazole copper complexes with potential anticancer activity","RSC Advances","2017","7","81","51162","","10.1039/C7RA09102H","","","1.54184","CuKα","","0.0425","0.0356","","","0.0955","0.1008","","","","","","1.056","","","","has coordinates","202595","2020-10-21","18:00:00",""
"7229498","8.4937","0.0009","8.684","0.001","10.0187","0.0009","70.661","0.01","81.94","0.008","64.185","0.011","627.68","0.13","294.3","0.1","294.3","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C13 H12 N2 O5 -","- C13 H12 N2 O5 -","- C26 H24 N4 O10 -","2","1","","Zhu, Luyi; Yan, Peipei; Zhang, Lvye; Chen, Zhangtao; Zeng, Xiaofei; Zhong, Guofu","TiCl4/DMAP mediated Z-selective knovenagel condensation of isatins with nitroacetates and related compounds","RSC Advances","2017","7","81","51352","","10.1039/C7RA09951G","","","0.71073","MoKα","","0.0591","0.0447","","","0.1449","0.16","","","","","","1.076","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229499","10.136","0.003","10.173","0.003","11.012","0.003","104.003","0.003","97.178","0.003","111.781","0.003","993.6","0.5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 N2 O4 S -","- C23 H18 N2 O4 S -","- C46 H36 N4 O8 S2 -","2","1","","Wang, Kai; Wang, Guodong; Duan, Guiyun; Xia, Chengcai","Cobalt(ii)-catalyzed remote C5-selective C–H sulfonylation of quinolines via insertion of sulfur dioxide","RSC Advances","2017","7","81","51313","","10.1039/C7RA11363C","","","0.71073","MoKα","","0.0607","0.052","","","0.1388","0.1499","","","","","","1.04","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229500","5.4518","0.0005","12.6676","0.0011","23.036","0.002","90","","90","","90","","1590.9","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 O4 -","- C16 H28 O4 -","- C64 H112 O16 -","4","1","","Shi, Xiao-Shan; Wang, Dun-Jia; Li, Xiao-Ming; Li, Hong-Lei; Meng, Ling-Hong; Li, Xin; Pi, Yan; Zhou, Xing-Wang; Wang, Bin-Gui","Antimicrobial polyketides from Trichoderma koningiopsis QA-3, an endophytic fungus obtained from the medicinal plant Artemisia argyi","RSC Advances","2017","7","81","51335","","10.1039/C7RA11122C","","","1.54178","CuKα","","0.1272","0.0626","","","0.1251","0.1494","","","","","","1.022","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229501","11.7535","0.0011","5.4477","0.0005","12.702","0.0012","90","","105.281","0.004","90","","784.55","0.13","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H28 O4 -","- C16 H28 O4 -","- C32 H56 O8 -","2","1","","Shi, Xiao-Shan; Wang, Dun-Jia; Li, Xiao-Ming; Li, Hong-Lei; Meng, Ling-Hong; Li, Xin; Pi, Yan; Zhou, Xing-Wang; Wang, Bin-Gui","Antimicrobial polyketides from Trichoderma koningiopsis QA-3, an endophytic fungus obtained from the medicinal plant Artemisia argyi","RSC Advances","2017","7","81","51335","","10.1039/C7RA11122C","","","1.54178","CuKα","","0.1595","0.0679","","","0.1055","0.1235","","","","","","1.025","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229502","5.4895","0.0004","13.2356","0.0012","11.0897","0.001","90","","91.805","0.002","90","","805.34","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H28 O5 -","- C16 H28 O5 -","- C32 H56 O10 -","2","1","","Shi, Xiao-Shan; Wang, Dun-Jia; Li, Xiao-Ming; Li, Hong-Lei; Meng, Ling-Hong; Li, Xin; Pi, Yan; Zhou, Xing-Wang; Wang, Bin-Gui","Antimicrobial polyketides from Trichoderma koningiopsis QA-3, an endophytic fungus obtained from the medicinal plant Artemisia argyi","RSC Advances","2017","7","81","51335","","10.1039/C7RA11122C","","","1.54178","CuKα","","0.052","0.0443","","","0.1117","0.1175","","","","","","1.051","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229503","5.7605","0.0005","9.1002","0.0008","31.056","0.003","90","","91.347","0.001","90","","1627.6","0.3","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H26 O4 -","- C16 H26 O4 -","- C64 H104 O16 -","4","2","","Shi, Xiao-Shan; Wang, Dun-Jia; Li, Xiao-Ming; Li, Hong-Lei; Meng, Ling-Hong; Li, Xin; Pi, Yan; Zhou, Xing-Wang; Wang, Bin-Gui","Antimicrobial polyketides from Trichoderma koningiopsis QA-3, an endophytic fungus obtained from the medicinal plant Artemisia argyi","RSC Advances","2017","7","81","51335","","10.1039/C7RA11122C","","","1.54178","CuKα","","0.1871","0.1255","","","0.2966","0.3477","","","","","","1.086","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229522","8.1907","0.0005","24.8299","0.0016","7.3077","0.0005","90","","90","","90","","1486.2","0.17","302","2","301.83","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C17 H23 N O2 -","- C17 H23 N O2 -","- C68 H92 N4 O8 -","4","1","","Zhou, Yibin; Qian, Lebin; Liu, Miaochang; Wu, Ge; Gao, Wenxia; Ding, Jinchang; Huang, Xiaobo; Wu, Huayue","The influence of different N-substituted groups on the mechanochromic properties of 1,4-dihydropyridine derivatives with simple structures","RSC Advances","2017","7","81","51444","","10.1039/C7RA09515E","","","0.71073","MoKα","","0.1116","0.0859","","","0.2017","0.2239","","","","","","1.025","","","","has coordinates,has disorder","301865","2025-08-22","16:17:18",""
"7229523","17.439","0.003","12.082","0.002","9.2298","0.0016","90","","93.491","0.004","90","","1941.1","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N O2 -","- C23 H27 N O2 -","- C92 H108 N4 O8 -","4","1","","Zhou, Yibin; Qian, Lebin; Liu, Miaochang; Wu, Ge; Gao, Wenxia; Ding, Jinchang; Huang, Xiaobo; Wu, Huayue","The influence of different N-substituted groups on the mechanochromic properties of 1,4-dihydropyridine derivatives with simple structures","RSC Advances","2017","7","81","51444","","10.1039/C7RA09515E","","","0.71073","MoKα","","0.0682","0.0487","","","0.1263","0.1411","","","","","","1.013","","","","has coordinates","202888","2020-10-21","18:00:00",""
"7229524","19.4307","0.0019","17.6059","0.0016","11.8488","0.0012","90","","91.348","0.002","90","","4052.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N O4 -","- C22 H29 N O4 -","- C176 H232 N8 O32 -","8","2","","Zhou, Yibin; Qian, Lebin; Liu, Miaochang; Wu, Ge; Gao, Wenxia; Ding, Jinchang; Huang, Xiaobo; Wu, Huayue","The influence of different N-substituted groups on the mechanochromic properties of 1,4-dihydropyridine derivatives with simple structures","RSC Advances","2017","7","81","51444","","10.1039/C7RA09515E","","","0.71073","MoKα","","0.1144","0.0683","","","0.1687","0.199","","","","","","1.02","","","","has coordinates","206489","2020-10-21","18:00:00",""
"7229525","6.7838","0.0011","11.793","0.002","12.664","0.002","90","","104.498","0.004","90","","980.9","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N O2 -","- C23 H27 N O2 -","- C46 H54 N2 O4 -","2","1","","Zhou, Yibin; Qian, Lebin; Liu, Miaochang; Wu, Ge; Gao, Wenxia; Ding, Jinchang; Huang, Xiaobo; Wu, Huayue","The influence of different N-substituted groups on the mechanochromic properties of 1,4-dihydropyridine derivatives with simple structures","RSC Advances","2017","7","81","51444","","10.1039/C7RA09515E","","","0.71073","MoKα","","0.0683","0.0575","","","0.1551","0.165","","","","","","1.04","","","","has coordinates","202888","2020-10-21","18:00:00",""
"7229526","8.6562","0.0003","9.306","0.0003","12.049","0.0004","83.1427","0.001","77.2334","0.001","75.0473","0.0011","912.55","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N O2 -","- C22 H25 N O2 -","- C44 H50 N2 O4 -","2","1","","Zhou, Yibin; Qian, Lebin; Liu, Miaochang; Wu, Ge; Gao, Wenxia; Ding, Jinchang; Huang, Xiaobo; Wu, Huayue","The influence of different N-substituted groups on the mechanochromic properties of 1,4-dihydropyridine derivatives with simple structures","RSC Advances","2017","7","81","51444","","10.1039/C7RA09515E","","","0.71073","MoKα","","0.0888","0.0776","","","0.2184","0.2333","","","","","","1.052","","","","has coordinates","202888","2020-10-21","18:00:00",""
"7229533","12.1088","0.0004","16.9597","0.0008","19.1362","0.0004","111.443","0.004","91.846","0.003","95.794","0.003","3629","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H34 Cu2 N6 O14 -","- C56 H34 Cu2 N6 O14 -","- C112 H68 Cu4 N12 O28 -","2","1","","Xu, Fen; Kang, Wei-Fen; Wang, Xiao-Ning; Kou, Hao-Dong; Jin, Zhen; Liu, Chun-Sen","Synergic effect of copper-based metal‒organic frameworks for highly efficient C‒H activation of amidines","RSC Advances","2017","7","81","51658","","10.1039/C7RA10682C","","x-ray","1.54184","CuKα","","0.0891","0.0786","","","0.225","0.2442","","","","","","1.002","","","","has coordinates","202947","2020-10-21","18:00:00",""
"7229536","6.977","0.014","15.04","0.03","12.106","0.018","90","","123.82","","90","","1055","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H12 Br3 Cd N -","- C5 H12 Br3 Cd N -","- C20 H48 Br12 Cd4 N4 -","4","1","","Sun, Xiao-Fen; Wang, Zhongxia; Liao, Wei-Qiang; Li, Peng-Fei; Gao, Jixing; Huang, Yi-Yang; Chen, Hai-Peng; Ye, Heng-Yun; Zhang, Yi","Modulating molecular structures and dielectric transitions in organic‒inorganic hybrid crystals","RSC Advances","2017","7","82","52024","","10.1039/C7RA10616E","","","0.71073","MoKα","","0.1602","0.1175","","","0.2981","0.3408","","","","","","1.092","","","","has coordinates","203000","2020-10-21","18:00:00",""
"7229537","15.322","0.004","7.0479","0.0014","10.105","0.004","90","","90","","90","","1091.2","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H12 Br3 Cd N -","- C5 H12 Br3 Cd N -","- C20 H48 Br12 Cd4 N4 -","4","0.5","","Sun, Xiao-Fen; Wang, Zhongxia; Liao, Wei-Qiang; Li, Peng-Fei; Gao, Jixing; Huang, Yi-Yang; Chen, Hai-Peng; Ye, Heng-Yun; Zhang, Yi","Modulating molecular structures and dielectric transitions in organic‒inorganic hybrid crystals","RSC Advances","2017","7","82","52024","","10.1039/C7RA10616E","","","0.71073","MoKα","","0.0927","0.0537","","","0.1085","0.1198","","","","","","1.041","","","","has coordinates","203000","2020-10-21","18:00:00",""
"7229538","15.553","0.012","15.553","0.012","7.117","0.008","90","","90","","120","","1491","2","343","2","343","2","","","","","","","","5","P -3","-P 3","147","","","","- C15 H36 Br7 Cd2 N3 -","- C15 H36 Br7 Cd2 N3 -","- C30 H72 Br14 Cd4 N6 -","2","0.333333","","Sun, Xiao-Fen; Wang, Zhongxia; Liao, Wei-Qiang; Li, Peng-Fei; Gao, Jixing; Huang, Yi-Yang; Chen, Hai-Peng; Ye, Heng-Yun; Zhang, Yi","Modulating molecular structures and dielectric transitions in organic‒inorganic hybrid crystals","RSC Advances","2017","7","82","52024","","10.1039/C7RA10616E","","","0.71073","MoKα","","0.0371","0.0338","","","0.0695","0.0709","","","","","","1.006","","","","has coordinates","203000","2020-10-21","18:00:00",""
"7229539","12.409","0.018","13.23","0.014","23.79","0.03","90","","90","","90","","3906","9","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H24.05 Br4 Cd N2.05 -","- C10 H24.046 Br4 Cd N2.046 -","- C80 H192.368 Br32 Cd8 N16.368 -","8","1","","Sun, Xiao-Fen; Wang, Zhongxia; Liao, Wei-Qiang; Li, Peng-Fei; Gao, Jixing; Huang, Yi-Yang; Chen, Hai-Peng; Ye, Heng-Yun; Zhang, Yi","Modulating molecular structures and dielectric transitions in organic‒inorganic hybrid crystals","RSC Advances","2017","7","82","52024","","10.1039/C7RA10616E","","","0.71073","MoKα","","0.0966","0.0623","","","0.1358","0.1509","","","","","","1.105","","","","has coordinates,has disorder","203000","2020-10-21","18:00:00",""
"7229540","15.358","0.002","15.358","0.002","7.0766","0.0014","90","","90","","120","","1445.5","0.4","223","2","223","2","","","","","","","","5","P -3","-P 3","147","","","","- C15 H36 Br7 Cd2 N3 -","- C15 H36 Br7 Cd2 N3 -","- C30 H72 Br14 Cd4 N6 -","2","0.333333","","Sun, Xiao-Fen; Wang, Zhongxia; Liao, Wei-Qiang; Li, Peng-Fei; Gao, Jixing; Huang, Yi-Yang; Chen, Hai-Peng; Ye, Heng-Yun; Zhang, Yi","Modulating molecular structures and dielectric transitions in organic‒inorganic hybrid crystals","RSC Advances","2017","7","82","52024","","10.1039/C7RA10616E","","","0.71073","MoKα","","0.028","0.0268","","","0.0511","0.0515","","","","","","0.974","","","","has coordinates","203000","2020-10-21","18:00:00",""
"7229541","12.421","0.007","13.319","0.007","24.209","0.013","90","","90","","90","","4005","4","373","2","373","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H24 Br4 Cd N2 -","- C10 H24 Br4 Cd N2 -","- C80 H192 Br32 Cd8 N16 -","8","1","","Sun, Xiao-Fen; Wang, Zhongxia; Liao, Wei-Qiang; Li, Peng-Fei; Gao, Jixing; Huang, Yi-Yang; Chen, Hai-Peng; Ye, Heng-Yun; Zhang, Yi","Modulating molecular structures and dielectric transitions in organic‒inorganic hybrid crystals","RSC Advances","2017","7","82","52024","","10.1039/C7RA10616E","","","0.71073","MoKα","","0.336","0.1483","","","0.2672","0.3489","","","","","","1.13","","","","has coordinates","203000","2020-10-21","18:00:00",""
"7229559","10.6797","0.0002","11.1444","0.0002","13.1053","0.0002","99.8551","0.0008","103.208","0.0008","116.218","0.0007","1294.49","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H32 Cl Cu N2 O3.5 -","- C27.5 H32 Cl Cu N2 O3.5 -","- C55 H64 Cl2 Cu2 N4 O7 -","2","1","","Park, Da-Ae; Ryu, Ji Yeon; Lee, Junseong; Hong, Sukwon","Bifunctional N-heterocyclic carbene ligands for Cu-catalyzed direct C‒H carboxylation with CO2","RSC Advances","2017","7","83","52496","","10.1039/C7RA11414A","","","0.71073","MoKα","","0.0689","0.0481","","","0.1226","0.1329","","","","","","0.997","","","","has coordinates,has disorder","203146","2020-10-21","18:00:00",""
"7229560","9.967","0.0008","18.1432","0.0016","20.1268","0.0016","89.092","0.006","82.857","0.004","74.117","0.004","3472.8","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 Cl Cu N2 -","- C25 H26 Cl Cu N2 -","- C150 H156 Cl6 Cu6 N12 -","6","3","","Park, Da-Ae; Ryu, Ji Yeon; Lee, Junseong; Hong, Sukwon","Bifunctional N-heterocyclic carbene ligands for Cu-catalyzed direct C‒H carboxylation with CO2","RSC Advances","2017","7","83","52496","","10.1039/C7RA11414A","","","0.71073","MoKα","","0.1252","0.0636","","","0.0872","0.1021","","","","","","1.068","","","","has coordinates,has disorder","203146","2020-10-21","18:00:00",""
"7229582","16.213","0.012","19.359","0.014","12.323","0.009","90","","90.991","0.012","90","","3867","5","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H32 Cu N3 O8 S3 -","- C39 H32 Cu N3 O8 S3 -","- C156 H128 Cu4 N12 O32 S12 -","4","1","","Guo, Xiangyang; Zeng, Le; Wang, Zhe; Zhang, Tiexin; He, Cheng; Duan, Chunying","Photocatalytic copper-catalyzed azide‒alkyne cycloaddition click reaction with Cu(ii) coordination polymer","RSC Advances","2017","7","83","52907","","10.1039/C7RA10207K","","","0.71073","MoKα","","0.2434","0.0802","","","0.1872","0.2835","","","","","","0.985","","","","has coordinates,has disorder","203231","2020-10-21","18:00:00",""
"7229602","10.9162","0.0002","10.9162","0.0002","19.1285","0.0004","90","","90","","90","","2279.42","0.08","150","","150","","","","","","","","","4","P 43","P 4cw","78","","","","- C24 H15 F9 N2 -","- C24 H15 F9.003 N2 -","- C96 H60 F36.012 N8 -","4","1","","Le Phuong, Hai Anh; Cseri, Levente; Whitehead, George F. S.; Garforth, Arthur; Budd, Peter; Szekely, Gyorgy","Environmentally benign and diastereoselective synthesis of 2,4,5-trisubstituted-2-imidazolines","RSC Advances","2017","7","84","53278","","10.1039/C7RA11827A","","x-ray","1.54184","CuKα","","0.0519","0.048","","","0.1231","0.1271","","","","","","1.049","","","","has coordinates,has disorder","203411","2020-10-21","18:00:00",""
"7229603","12.2146","0.0002","9.99845","0.00016","20.3665","0.0003","90","","91.4162","0.0015","90","","2486.54","0.07","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 F15 N2 S3 -","- C21 H15 F15 N2 S3 -","- C84 H60 F60 N8 S12 -","4","1","","Le Phuong, Hai Anh; Cseri, Levente; Whitehead, George F. S.; Garforth, Arthur; Budd, Peter; Szekely, Gyorgy","Environmentally benign and diastereoselective synthesis of 2,4,5-trisubstituted-2-imidazolines","RSC Advances","2017","7","84","53278","","10.1039/C7RA11827A","","x-ray","0.71073","MoKα","","0.0426","0.0373","","","0.0929","0.0963","","","","","","1.054","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229604","10.0813","0.00017","20.649","0.0004","21.8088","0.0004","90","","90","","90","","4539.91","0.14","150.03","0.1","150.03","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H15 F9 N2 -","- C24 H15 F9 N2 -","- C192 H120 F72 N16 -","8","1","","Le Phuong, Hai Anh; Cseri, Levente; Whitehead, George F. S.; Garforth, Arthur; Budd, Peter; Szekely, Gyorgy","Environmentally benign and diastereoselective synthesis of 2,4,5-trisubstituted-2-imidazolines","RSC Advances","2017","7","84","53278","","10.1039/C7RA11827A","","x-ray","1.54184","CuKα","","0.0793","0.0705","","","0.1874","0.1952","","","","","","1.058","","","","has coordinates,has disorder","301865","2025-08-22","16:17:18",""
"7229605","14.1338","0.0003","30.1549","0.0009","18.5852","0.0005","90","","91.647","0.002","90","","7917.8","0.4","199.99","0.1","199.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 I3 N5 O2.5 -","- C30 H42 I3.002 N5 O2.5 -","- C240 H336 I24.016 N40 O20 -","8","2","","Le Phuong, Hai Anh; Cseri, Levente; Whitehead, George F. S.; Garforth, Arthur; Budd, Peter; Szekely, Gyorgy","Environmentally benign and diastereoselective synthesis of 2,4,5-trisubstituted-2-imidazolines","RSC Advances","2017","7","84","53278","","10.1039/C7RA11827A","","x-ray","0.71073","MoKα","","0.0909","0.0486","","","0.1347","0.1507","","","","","","1.054","","","","has coordinates","203411","2020-10-21","18:00:00",""
"7229606","12.3117","0.0007","20.284","0.0007","18.3956","0.0008","90","","109.325","0.0018","90","","4335.1","0.3","180","","180","","","","101","","","","","4","C 1 c 1","C -2yc","9","","","","- C44 H58 O4 S3 -","- C44 H58 O4 S3 -","- C176 H232 O16 S12 -","4","1","","Mikšátko, J.; Eigner, V.; Lhoták, P.","Unexpected cleavage of thiacalix[4]arene sulfoxides","RSC Advances","2017","7","84","53407","","10.1039/C7RA11218A","","","1.54178","CuKα","","0.0261","0.0259","","0.0697","0.0692","0.0697","","","","","","0.9702","","","","has coordinates,has disorder","301865","2025-08-22","16:17:18",""
"7229618","14.476","0.0011","6.3544","0.0005","14.6098","0.0012","90","","100.497","0.008","90","","1321.41","0.18","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C64 H64 N8 O4 -","4","1","","Cheng, Bin; Bao, Bian; Zu, Bing; Duan, Xiaoguang; Duan, Shengguo; Li, Yun; Zhai, Hongbin","Synthesis of spiro-3H-indazoles via 1,3-dipolar cycloaddition of arynes with 6-diazocyclohex-2-en-1-one derivatives and fused-2H-indazoles by subsequent rearrangement","RSC Advances","2017","7","85","54087","","10.1039/C7RA12117B","","x-ray","0.71073","MoKα","","0.098","0.0555","","","0.1061","0.1247","","","","","","1.094","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229626","13.0674","0.0008","13.2889","0.0006","35.945","0.002","90","","90","","90","","6241.9","0.6","145","2","145.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C51 H75 Cl2 Mn4 N9 O18 -","- C51 H75 Cl2 Mn4 N9 O18 -","- C204 H300 Cl8 Mn16 N36 O72 -","4","1","","Wu, Changqiang; Yang, Li; Chen, Zhuzhong; Zhang, Houbing; Li, Danyang; Lin, Bingbing; Zhu, Jiang; Ai, Hua; Zhang, Xiaoming","Poly(ethylene glycol) modified Mn2+ complexes as contrast agents with a prolonged observation window in rat MRA","RSC Advances","2017","7","86","54603","","10.1039/C7RA09975D","","","0.71073","MoKα","","0.1192","0.0682","","","0.1033","0.1221","","","","","","0.992","","","","has coordinates","203754","2020-10-21","18:00:00",""
"7229627","14.0179","0.0019","27.727","0.004","14.0053","0.0019","90","","90","","90","","5443.5","1.3","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C62 H62 Cd4 N6 O22 -","- C62 H62 Cd4 N6 O22 -","- C124 H124 Cd8 N12 O44 -","2","0.5","","Wu, Wei-Ping; Wu, Jian; Liu, Jian-Qiang; Trivedi, Manoj; Kumar, Abhinav","Fabrication of a new metal‒organic framework for sensitive sensing of nitroaromatics and efficient dye adsorption","RSC Advances","2017","7","86","54522","","10.1039/C7RA11221A","","","0.71073","MoKα","","0.1278","0.0786","","","0.1879","0.2157","","","","","","1.074","","","","has coordinates,has disorder","203755","2020-10-21","18:00:00",""
"7229650","8.3685","0.0009","6.1721","0.0003","18.2702","0.0011","90","","95.727","0.001","90","","938.97","0.12","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H22 N2 O4 S -","- C20 H22 N2 O4 S -","- C40 H44 N4 O8 S2 -","2","1","","Meng, Ling-Hong; Li, Xiao-Ming; Liu, Yang; Xu, Gang-Ming; Wang, Bin-Gui","Antimicrobial alkaloids produced by the mangrove endophyte Penicillium brocae MA-231 using the OSMAC approach","RSC Advances","2017","7","87","55026","","10.1039/C7RA12081H","","","1.54178","CuKα","","0.0891","0.0577","","","0.1148","0.1279","","","","","","1.043","","","","has coordinates,has disorder","203969","2020-10-21","18:00:00",""
"7229651","9.5217","0.0008","9.7711","0.0011","12.4273","0.001","90","","90","","90","","1156.2","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 N O3 -","- C13 H15 N O3 -","- C52 H60 N4 O12 -","4","1","","Meng, Ling-Hong; Li, Xiao-Ming; Liu, Yang; Xu, Gang-Ming; Wang, Bin-Gui","Antimicrobial alkaloids produced by the mangrove endophyte Penicillium brocae MA-231 using the OSMAC approach","RSC Advances","2017","7","87","55026","","10.1039/C7RA12081H","","","1.54178","CuKα","","0.0483","0.0414","","","0.0981","0.1048","","","","","","1.01","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229652","8.2444","0.0004","9.9359","0.0004","11.8715","0.0006","90","","110.077","0.003","90","","913.37","0.08","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 N2 O4 S -","- C20 H19 N2 O4 S -","- C40 H38 N4 O8 S2 -","2","1","","Meng, Ling-Hong; Li, Xiao-Ming; Liu, Yang; Xu, Gang-Ming; Wang, Bin-Gui","Antimicrobial alkaloids produced by the mangrove endophyte Penicillium brocae MA-231 using the OSMAC approach","RSC Advances","2017","7","87","55026","","10.1039/C7RA12081H","","","1.54178","CuKα","","0.0407","0.0388","","","0.1053","0.107","","","","","","1.061","","","","has coordinates","203969","2020-10-21","18:00:00",""
"7229653","5.6325","0.0005","7.9186","0.0007","10.9501","0.0009","88.389","0.002","83.823","0.001","87.401","0.002","484.92","0.07","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H25 N O6 S -","- C18 H25 N O6 S -","- C18 H25 N O6 S -","1","1","","Meng, Ling-Hong; Li, Xiao-Ming; Liu, Yang; Xu, Gang-Ming; Wang, Bin-Gui","Antimicrobial alkaloids produced by the mangrove endophyte Penicillium brocae MA-231 using the OSMAC approach","RSC Advances","2017","7","87","55026","","10.1039/C7RA12081H","","","1.54178","CuKα","","0.0766","0.0604","","","0.1553","0.1779","","","","","","1.072","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229654","22.4157","0.0008","8.5771","0.0003","24.0509","0.0008","90","","114.281","0.004","90","","4215","0.3","293","2","293","2","","","","","","","","5","P 1 2/a 1","-P 2ya","13","","","","- C50 H52 Br2 N2 Ni -","- C50 H52 Br2 N2 Ni -","- C200 H208 Br8 N8 Ni4 -","4","1","","Sun, Jinlong; Wang, Fuzhou; Li, Weimin; Chen, Min","Ligand steric effects on α-diimine nickel catalyzed ethylene and 1-hexene polymerization","RSC Advances","2017","7","87","55051","","10.1039/C7RA11783C","","","1.5418","CuKα","","0.1146","0.0823","","","0.1875","0.2022","","","","","","1.26","","","","has coordinates","203970","2020-10-21","18:00:00",""
"7229655","9.1819","0.0009","23.1568","0.0019","19.0157","0.0016","90","","101.497","0.003","90","","3962.1","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(MeN?N)NiBr2","","- C45 H42 Br2 N2 Ni -","- C45 H42 Br2 N2 Ni -","- C180 H168 Br8 N8 Ni4 -","4","1","","Sun, Jinlong; Wang, Fuzhou; Li, Weimin; Chen, Min","Ligand steric effects on α-diimine nickel catalyzed ethylene and 1-hexene polymerization","RSC Advances","2017","7","87","55051","","10.1039/C7RA11783C","","","0.71073","MoKα","","0.2249","0.1136","","","0.2199","0.2418","","","","","","1.098","","","","has coordinates","203970","2020-10-21","18:00:00",""
"7229656","25.465","0.002","17.0368","0.0017","22.342","0.002","90","","115.936","0.004","90","","8716.7","1.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(i-PrN?N)NiBr2","","- C49 H49 Br2 N2 Ni -","- C49 H49 Br2 N2 Ni -","- C392 H392 Br16 N16 Ni8 -","8","2","","Sun, Jinlong; Wang, Fuzhou; Li, Weimin; Chen, Min","Ligand steric effects on α-diimine nickel catalyzed ethylene and 1-hexene polymerization","RSC Advances","2017","7","87","55051","","10.1039/C7RA11783C","","","0.71073","MoKα","","0.1844","0.1324","","","0.3405","0.377","","","","","","1.132","","","","has coordinates","203970","2020-10-21","18:00:00",""
"7229657","5.7063","0.0004","8.4245","0.0006","25.6881","0.0019","90","","93.229","0.002","90","","1232.94","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Gosavi-Mirkute, Prajkta; Patil, Amit; Lande, Dipali N.; Chakravarty, Debamitra; Gejji, Shridhar P.; Satpute, Surekha; Salunke-Gawali, Sunita","Naphthoquinone based chemosensors for transition metal ions: experiment and theory","RSC Advances","2017","7","87","55163","","10.1039/C7RA10490A","","","0.71073","MoKα","","0.0445","0.0393","","","0.1039","0.1079","","","","","","1.032","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229658","5.4069","0.0005","8.0971","0.0007","29.735","0.003","92.338","0.004","91.024","0.004","98.992","0.004","1284.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N O2 S -","- C16 H13 N O2 S -","- C64 H52 N4 O8 S4 -","4","2","","Gosavi-Mirkute, Prajkta; Patil, Amit; Lande, Dipali N.; Chakravarty, Debamitra; Gejji, Shridhar P.; Satpute, Surekha; Salunke-Gawali, Sunita","Naphthoquinone based chemosensors for transition metal ions: experiment and theory","RSC Advances","2017","7","87","55163","","10.1039/C7RA10490A","","","0.71073","MoKα","","0.1233","0.0926","","","0.2044","0.2187","","","","","","1.155","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229659","5.4","0.0004","30.026","0.002","8.0578","0.0006","90","","99.278","0.002","90","","1289.4","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","1","","Gosavi-Mirkute, Prajkta; Patil, Amit; Lande, Dipali N.; Chakravarty, Debamitra; Gejji, Shridhar P.; Satpute, Surekha; Salunke-Gawali, Sunita","Naphthoquinone based chemosensors for transition metal ions: experiment and theory","RSC Advances","2017","7","87","55163","","10.1039/C7RA10490A","","","0.71073","MoKα","","0.0807","0.0634","","","0.1569","0.1659","","","","","","1.226","","","","has coordinates","301865","2025-08-22","16:17:18",""
"7229661","7.9332","0.0014","10.9116","0.0018","12.9665","0.0019","96.881","0.004","92.036","0.002","109.013","0.005","1050.2","0.3","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cl N3 O2 -","- C23.998 H21.996 Cl N3 O2 -","- C47.996 H43.992 Cl2 N6 O4 -","2","1","","Zhao, Hong-Wu; Zhao, Yu-Di; Liu, Yue-Yang; Zhao, Li-Jiao; Song, Xiu-Qing; Chen, Xiao-Qin; Pang, Hai-Liang; Du, Juan; Feng, Ning-Ning","1,3-Dipolar [3 + 3] cycloaddition of α-halohydroxamate-based azaoxyallyl cations with hydrazonoyl chloride-derived nitrile imines","RSC Advances","2017","7","87","55106","","10.1039/C7RA09766B","","","0.71073","MoKα","","0.0399","0.0334","","","0.0867","0.0905","","","","","","1.027","","","","has coordinates,has disorder","204019","2020-10-21","18:00:00",""
"7229670","18.672","0.006","19.068","0.006","28.995","0.009","81.025","0.004","78.083","0.004","73.649","0.004","9639","5","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H104 Co4.5 N28 Na2 O138 P5 W30 -","- C44 H60 Co4.5 N28 Na2 O138 P5 W30 -","- C88 H120 Co9 N56 Na4 O276 P10 W60 -","2","1","","Shi, Jie; Xiong, Yao; Zhou, MengJie; Chen, Lu; Xu, Yan","Two hybrid polyoxometalates constructed from Preyssler P5W30 clusters and Schiff base exhibiting interesting third-order NLO properties","RSC Advances","2017","7","87","55427","","10.1039/C7RA12165B","","","0.71073","MoKα","","0.0963","0.0691","","","0.1808","0.1946","","","","","","1.077","","","","has coordinates,has disorder","204070","2020-10-21","18:00:00",""
"7229671","18.523","0.004","19.013","0.004","28.923","0.006","80.663","0.003","79.162","0.003","74.784","0.003","9585","4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C88 H204 Mn9 N56 Na6 O275 P10 W60 -","- C88 H120 Mn9 N56 Na6 O275 P10 W60 -","- C88 H120 Mn9 N56 Na6 O275 P10 W60 -","1","0.5","","Shi, Jie; Xiong, Yao; Zhou, MengJie; Chen, Lu; Xu, Yan","Two hybrid polyoxometalates constructed from Preyssler P5W30 clusters and Schiff base exhibiting interesting third-order NLO properties","RSC Advances","2017","7","87","55427","","10.1039/C7RA12165B","","","0.71073","MoKα","","0.0974","0.0623","","","0.1594","0.1799","","","","","","1.036","","","","has coordinates,has disorder","287753","2023-11-23","09:34:45",""
"7229672","16.0344","0.0017","19.862","0.002","20.309","0.002","76.952","0.004","72.697","0.004","86.957","0.004","6015.1","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C122 H108 Gd4 N12 O22 -","- C122 H108 Gd4 N12 O22 -","- C244 H216 Gd8 N24 O44 -","2","1","","Zhang, Ya-Xin; Li, Meng; Liu, Bi-Ying; Wu, Zhi-Lei; Wei, Hai-Ying; Wang, Wen-Min","A series of planar tetranuclear lanthanide complexes: axial ligand modulated magnetic dynamics in Dy4 species","RSC Advances","2017","7","87","55523","","10.1039/C7RA11750G","","","0.71073","MoKα","","0.1229","0.0647","","","0.1339","0.1562","","","","","","1.022","","","","has coordinates","204071","2020-10-21","18:00:00",""
"7229673","14.9356","0.0012","15.9841","0.0009","17.9763","0.0012","67.916","0.008","74.027","0.01","71.695","0.009","3714.8","0.5","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C154 H174 Gd4 N14 O24 -","- C154 H174 Gd4 N14 O24 -","- C154 H174 Gd4 N14 O24 -","1","0.5","","Zhang, Ya-Xin; Li, Meng; Liu, Bi-Ying; Wu, Zhi-Lei; Wei, Hai-Ying; Wang, Wen-Min","A series of planar tetranuclear lanthanide complexes: axial ligand modulated magnetic dynamics in Dy4 species","RSC Advances","2017","7","87","55523","","10.1039/C7RA11750G","","","0.71073","MoKα","","0.0402","0.0299","","","0.0676","0.0725","","","","","","1.08","","","","has coordinates,has disorder","301865","2025-08-22","16:17:19",""
"7229674","14.9673","0.0006","15.987","0.0006","17.9639","0.0008","67.936","0.004","74.001","0.006","71.656","0.005","3720.2","0.3","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C154 H174 N14 O24 Tb4 -","- C154 H174 N14 O24 Tb4 -","- C154 H174 N14 O24 Tb4 -","1","0.5","","Zhang, Ya-Xin; Li, Meng; Liu, Bi-Ying; Wu, Zhi-Lei; Wei, Hai-Ying; Wang, Wen-Min","A series of planar tetranuclear lanthanide complexes: axial ligand modulated magnetic dynamics in Dy4 species","RSC Advances","2017","7","87","55523","","10.1039/C7RA11750G","","","0.71073","MoKα","","0.0331","0.0292","","","0.0772","0.0821","","","","","","1.056","","","","has coordinates,has disorder","301865","2025-08-22","16:17:19",""
"7229675","15.8898","0.0009","19.6837","0.0012","20.3485","0.0009","76.789","0.003","73.047","0.003","87.924","0.004","5923.6","0.6","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C127 H115.5 Dy4 N14.5 O22 -","- C127 H115.5 Dy4 N14.5 O22 -","- C254 H231 Dy8 N29 O44 -","2","1","","Zhang, Ya-Xin; Li, Meng; Liu, Bi-Ying; Wu, Zhi-Lei; Wei, Hai-Ying; Wang, Wen-Min","A series of planar tetranuclear lanthanide complexes: axial ligand modulated magnetic dynamics in Dy4 species","RSC Advances","2017","7","87","55523","","10.1039/C7RA11750G","","","0.71073","MoKα","","0.0332","0.027","","","0.0731","0.0755","","","","","","1.021","","","","has coordinates,has disorder","204071","2020-10-21","18:00:00",""
"7229676","17.423","0.003","13.94","0.002","30.573","0.006","90","","103.736","0.004","90","","7213","2","386","2","386.3","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C150 H128 Dy4 N16 O22 -","- C150 H128 Dy4 N16 O22 -","- C300 H256 Dy8 N32 O44 -","2","0.5","","Zhang, Ya-Xin; Li, Meng; Liu, Bi-Ying; Wu, Zhi-Lei; Wei, Hai-Ying; Wang, Wen-Min","A series of planar tetranuclear lanthanide complexes: axial ligand modulated magnetic dynamics in Dy4 species","RSC Advances","2017","7","87","55523","","10.1039/C7RA11750G","","","0.71073","MoKα","","0.1318","0.0885","","","0.2182","0.2415","","","","","","1.039","","","","has coordinates","204071","2020-10-21","18:00:00",""
"7229677","15.0463","0.0005","15.9891","0.0006","17.9493","0.0006","68.081","0.001","73.999","0.001","71.297","0.001","3734.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C154 H168 Dy4 N16 O22 -","- C154 H168 Dy4 N16 O22 -","- C154 H168 Dy4 N16 O22 -","1","0.5","","Zhang, Ya-Xin; Li, Meng; Liu, Bi-Ying; Wu, Zhi-Lei; Wei, Hai-Ying; Wang, Wen-Min","A series of planar tetranuclear lanthanide complexes: axial ligand modulated magnetic dynamics in Dy4 species","RSC Advances","2017","7","87","55523","","10.1039/C7RA11750G","","","0.71073","MoKα","","0.0452","0.0362","","","0.0949","0.1025","","","","","","1.025","","","","has coordinates,has disorder","204071","2020-10-21","18:00:00",""
"7229678","16.0223","0.0006","19.7955","0.0007","20.3368","0.0007","76.806","0.001","72.987","0.001","87.59","0.001","6003","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C127 H115.5 Ho4 N14.5 O22 -","- C127 H115.5 Ho4 N14.5 O22 -","- C254 H231 Ho8 N29 O44 -","2","1","","Zhang, Ya-Xin; Li, Meng; Liu, Bi-Ying; Wu, Zhi-Lei; Wei, Hai-Ying; Wang, Wen-Min","A series of planar tetranuclear lanthanide complexes: axial ligand modulated magnetic dynamics in Dy4 species","RSC Advances","2017","7","87","55523","","10.1039/C7RA11750G","","","0.71073","MoKα","","0.0956","0.0516","","","0.0904","0.1102","","","","","","1.032","","","","has coordinates","204071","2020-10-21","18:00:00",""
"7229679","14.9764","0.0008","16.033","0.0008","17.9785","0.001","67.916","0.004","74.079","0.005","71.793","0.004","3739.1","0.4","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C154 H174 Eu4 N14 O24 -","- C154 H174 Eu4 N14 O24 -","- C154 H174 Eu4 N14 O24 -","1","0.5","","Zhang, Ya-Xin; Li, Meng; Liu, Bi-Ying; Wu, Zhi-Lei; Wei, Hai-Ying; Wang, Wen-Min","A series of planar tetranuclear lanthanide complexes: axial ligand modulated magnetic dynamics in Dy4 species","RSC Advances","2017","7","87","55523","","10.1039/C7RA11750G","","","0.71073","MoKα","","0.0316","0.0277","","","0.0687","0.071","","","","","","1.051","","","","has coordinates,has disorder","204071","2020-10-21","18:00:00",""
"7229680","15.9945","0.0006","19.7881","0.0006","20.2867","0.0007","76.919","0.001","72.804","0.001","87.373","0.001","5973","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C127 H115.5 N14.5 O22 Yb4 -","- C127 H115.5 N14.5 O22 Yb4 -","- C254 H231 N29 O44 Yb8 -","2","1","","Zhang, Ya-Xin; Li, Meng; Liu, Bi-Ying; Wu, Zhi-Lei; Wei, Hai-Ying; Wang, Wen-Min","A series of planar tetranuclear lanthanide complexes: axial ligand modulated magnetic dynamics in Dy4 species","RSC Advances","2017","7","87","55523","","10.1039/C7RA11750G","","","0.71073","MoKα","","0.0921","0.0473","","","0.099","0.1228","","","","","","1.028","","","","has coordinates","204071","2020-10-21","18:00:00",""
"7229681","16.038","0.0006","19.7829","0.0008","20.3633","0.0008","76.708","0.001","73.048","0.001","87.716","0.001","6012","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C124 H111 N13 O22 Tb4 -","- C124 H111 N13 O22 Tb4 -","- C248 H222 N26 O44 Tb8 -","2","1","","Zhang, Ya-Xin; Li, Meng; Liu, Bi-Ying; Wu, Zhi-Lei; Wei, Hai-Ying; Wang, Wen-Min","A series of planar tetranuclear lanthanide complexes: axial ligand modulated magnetic dynamics in Dy4 species","RSC Advances","2017","7","87","55523","","10.1039/C7RA11750G","","","0.71073","MoKα","","0.0466","0.0369","","","0.0768","0.0811","","","","","","1.034","","","","has coordinates","301865","2025-08-22","16:17:19",""
"7229704","17.671","0.002","11.6716","0.0011","18.446","0.002","90","","103.739","0.002","90","","3695.6","0.7","113","2","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H38 B F2 N3 -","- C50 H38 B F2 N3 -","- C200 H152 B4 F8 N12 -","4","1","","Zhu, Li; Xie, Wensheng; Zhao, Lingyun; Zhang, Yongjie; Chen, Zhijian","Tetraphenylethylene- and fluorene-functionalized near-infrared aza-BODIPY dyes for living cell imaging","RSC Advances","2017","7","88","55839","","10.1039/C7RA10820F","","","0.71073","MoKα","","0.0517","0.0375","","","0.093","0.1006","","","","","","0.996","","","","has coordinates","204182","2020-10-21","18:00:00",""
"7229709","9.2512","0.0012","9.2512","0.0012","14.504","0.005","90","","90","","120","","1075","0.4","293","2","293","2","","","","","","","","6","P 63 2 2","P 6c 2c","182","","","","- C6 H24 Ag2 Cd I4 N6 -","- C6 H24 Ag2 Cd I4 N6 -","- C12 H48 Ag4 Cd2 I8 N12 -","2","0.166667","","Yu, Shan-Shan; Liu, Shao-Xian; Zhu, Yi-Xiao; Duan, Hai-Bao; Zhang, H.","Relaxor-like and switchable dielectric behavior in a rare noncentrosymmetric 3D iodoargentate hybrid","RSC Advances","2017","7","89","56153","","10.1039/C7RA11033B","","","0.71073","MoKα","","0.0483","0.0468","","","0.105","0.1064","","","","","","1.228","","","","has coordinates","204213","2020-10-21","18:00:00",""
"7229710","13.022","0.008","9.483","0.006","21.773","0.013","90","","93.312","0.007","90","","2684","3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H25 N3 S -","- C37 H25 N3 S -","- C148 H100 N12 S4 -","4","1","","Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji","Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines","RSC Advances","2017","7","88","56144","","10.1039/C7RA12600J","","","0.71075","MoKα","","","0.0502","","","","0.0704","","","","","","1.341","","","","has coordinates","301865","2025-08-22","16:17:19",""
"7229711","18.0621","0.0012","21.7543","0.0011","18.1682","0.0013","90","","108.862","0.003","90","","6755.4","0.8","150","","150","","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C37.25 H29.5 Cl0.5 F6 N3 S Sb -","- C37.25 H29.5 Cl0.5 F6 N3 S Sb -","- C298 H236 Cl4 F48 N24 S8 Sb8 -","8","4","","Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji","Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines","RSC Advances","2017","7","88","56144","","10.1039/C7RA12600J","","","0.71075","MoKα","","","0.062","","","","0.1491","","","","","","1.218","","","","has coordinates","301865","2025-08-22","16:17:19",""
"7229712","14.182","0.011","13.573","0.011","18.17","0.015","90","","96.605","0.008","90","","3474","5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H37 N3 S -","- C47 H37 N3 S -","- C188 H148 N12 S4 -","4","1","","Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji","Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines","RSC Advances","2017","7","88","56144","","10.1039/C7RA12600J","","","0.71075","MoKα","","","0.0549","","","","0.1427","","","","","","1.313","","","","has coordinates","301865","2025-08-22","16:17:19",""
"7229713","43.28","0.02","12.154","0.005","33.65","0.016","90","","115.783","0.008","90","","15939","12","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C45.25 H36.25 Cl0.75 F6 N3 S Sb -","- C45.25 H36.25 Cl0.75 F6 N3 S Sb -","- C724 H580 Cl12 F96 N48 S16 Sb16 -","16","2","","Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji","Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines","RSC Advances","2017","7","88","56144","","10.1039/C7RA12600J","","","0.71075","MoKα","","","0.0754","","","","0.1902","","","","","","1.669","","","","has coordinates","301865","2025-08-22","16:17:19",""
"7229714","18.942","0.016","7.309","0.005","23.453","0.019","90","","111.966","0.01","90","","3011","4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H29 N3 S -","- C41 H29 N3 S -","- C164 H116 N12 S4 -","4","1","","Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji","Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines","RSC Advances","2017","7","88","56144","","10.1039/C7RA12600J","","","0.71075","MoKα","","","0.082","","","","0.2144","","","","","","1.839","","","","has coordinates","301865","2025-08-22","16:17:19",""
"7229715","13.5112","0.0009","7.4584","0.0004","35.454","0.003","90","","92.068","0.004","90","","3570.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H31 F6 N4 S Sb -","- C42 H31 F6 N4 S Sb -","- C168 H124 F24 N16 S4 Sb4 -","4","1","","Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji","Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines","RSC Advances","2017","7","88","56144","","10.1039/C7RA12600J","","","0.71075","MoKα","","","0.037","","","","0.1243","","","","","","0.894","","","","has coordinates","301865","2025-08-22","16:17:19",""
"7229716","28.24","0.03","20.01","0.02","5.663","0.006","90","","90","","90","","3200","6","200","","200","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C41 H33 N3 O3 S -","- C41 H25 N3 O3 S -","- C164 H100 N12 O12 S4 -","4","0.5","","Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji","Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines","RSC Advances","2017","7","88","56144","","10.1039/C7RA12600J","","","0.71075","MoKα","","","0.0937","","","","0.2277","","","","","","1.724","","","","has coordinates","204214","2020-10-21","18:00:00",""
"7229717","7.251","0.004","27.486","0.013","17.493","0.008","90","","93.977","0.006","90","","3478","3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H25 Br4 Ga N3 O2 S -","- C37 H25 Br4 Ga N3 O2 S -","- C148 H100 Br16 Ga4 N12 O8 S4 -","4","1","","Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji","Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines","RSC Advances","2017","7","88","56144","","10.1039/C7RA12600J","","","0.71075","MoKα","","","0.0622","","","","0.0844","","","","","","1.328","","","","has coordinates","204214","2020-10-21","18:00:00",""
"7229718","10.758","0.006","12.675","0.007","14.281","0.008","68.315","0.018","82.98","0.03","75.22","0.03","1748.8","1.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H33 N3 S3 -","- C44 H33 N3 S3 -","- C88 H66 N6 S6 -","2","1","","Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji","Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines","RSC Advances","2017","7","88","56144","","10.1039/C7RA12600J","","","0.71075","MoKα","","","0.0481","","","","0.0678","","","","","","1.319","","","","has coordinates","301865","2025-08-22","16:17:19",""
"7229719","21.784","0.011","27.581","0.014","9.343","0.005","90","","90","","90","","5614","5","150","2","150","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C37 H29 N3 S -","- C37 H29 N3 S -","- C296 H232 N24 S8 -","8","1","","Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji","Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines","RSC Advances","2017","7","88","56144","","10.1039/C7RA12600J","","","0.71075","MoKα","","","0.0538","","","","0.0646","","","","","","1.08","","","","has coordinates","301865","2025-08-22","16:17:19",""
"7229720","18.327","0.01","10.704","0.006","23.653","0.013","90","","92.738","0.005","90","","4635","4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H34 Br4 Cl Ga N3 S -","- C47 H34 Br4 Cl Ga N3 S -","- C188 H136 Br16 Cl4 Ga4 N12 S4 -","4","1","","Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji","Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines","RSC Advances","2017","7","88","56144","","10.1039/C7RA12600J","","","0.71075","MoKα","","","0.096","","","","0.1555","","","","","","2.71","","","","has coordinates","204214","2020-10-21","18:00:00",""
"7229721","17.92","0.006","8.445","0.003","26.392","0.009","90","","91.079","0.004","90","","3993","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H33 F6 N3 S3 Sb -","- C44 H32 F6 N3 S3 Sb -","- C176 H128 F24 N12 S12 Sb4 -","4","1","","Karimata, Ayumu; Suzuki, Shuichi; Kozaki, Masatoshi; Okada, Keiji","Stereoelectronic control of oxidation potentials of 3,7-bis(diarylamino)phenothiazines","RSC Advances","2017","7","88","56144","","10.1039/C7RA12600J","","","0.71075","MoKα","","","0.048","","","","0.1326","","","","","","1.347","","","","has coordinates","204214","2020-10-21","18:00:00",""
"7229761","8.0801","0.0006","8.0801","0.0006","4.9553","0.0004","90","","90","","120","","280.18","0.04","293","2","293","2","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- Al1.5 Ca3 Ga1.5 O14 Si2 Ta -","- Al1.5 Ca3 Ga1.5 O14 Si2 Ta -","- Al1.5 Ca3 Ga1.5 O14 Si2 Ta -","1","0.166667","","Fu, Xiuwei; Víllora, Encarnación G.; Matsushita, Yoshitaka; Kitanaka, Yuuki; Noguchi, Yuji; Miyayama, Masaru; Shimamura, Kiyoshi; Ohashi, Naoki","Resistivity and piezoelectric properties of Ca3TaGa1.5Al1.5Si2O14 single crystals for high temperature sensors","RSC Advances","2017","7","89","56697","","10.1039/C7RA11926G","","","0.71073","MoKα","","0.0237","0.0237","","","0.0597","0.0597","","","","","","1.212","","","","has coordinates","204308","2020-10-21","18:00:00",""
"7229762","10.3185","0.0009","14.666","0.0011","14.863","0.0014","90","","90","","90","","2249.2","0.3","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 Br N O4 S -","- C25 H22 Br N O4 S -","- C100 H88 Br4 N4 O16 S4 -","4","1","","Lee, Jusung; Ko, Kwang Min; Kim, Sung-Gon","Asymmetric synthesis of 2,3-disubstituted indolines via an organocatalytic intramolecular Michael addition","RSC Advances","2017","7","89","56457","","10.1039/C7RA10775G","","","0.71073","MoKα","","0.0415","0.0286","","","0.0565","0.0604","","","","","","1.055","","","","has coordinates","301865","2025-08-22","16:17:19",""
"7236274","12.2069","0.0002","14.3991","0.0002","22.218","0.0004","90","","90","","90","","3905.22","0.11","100","2","100","2","","","","","","","Parasenecio rubescens","3","P 21 21 21","P 2ac 2ab","19","","Pararunine A","","- C37 H52 O13 -","- C37 H52 O13 -","- C148 H208 O52 -","4","1","","Jin, An; Wu, Wenming; Ruan, Hanli","Sesquiterpenoids and monoterpenoid coumarins from Parasenecio rubescens","RSC Advances","2017","7","9","5167","","10.1039/C6RA24833K","","","1.54178","CuKα","","0.0532","0.052","","","0.1657","0.1686","","","","","","1.055","","","","has coordinates,has disorder","301866","2025-08-22","21:38:31",""
"7236275","12.9969","0.0004","17.0693","0.0008","23.6874","0.0007","90","","90","","90","","5255","0.3","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C24 H20 Cl3 F N O3 -","- C24 H20 Cl3 F N O3 -","- C192 H160 Cl24 F8 N8 O24 -","8","1","","Ren, Wen; Wang, Xiao-Yan; Li, Jing-Jing; Tian, Mao; Liu, Jie; Ouyang, Liang; Wang, Jin-Hui","Efficient construction of biologically important functionalized polycyclic spiro-fused carbocyclicoxindoles via an asymmetric organocatalytic quadruple-cascade reaction","RSC Advances","2017","7","4","1863","","10.1039/C6RA24910H","","","1.54184","CuKα","","0.1865","0.1558","","","0.3569","0.3935","","","","","","1.305","","","","has coordinates","235344","2020-10-21","18:00:00",""
"7236276","10.929","0.002","9.7226","0.0019","19.633","0.004","90","","101.82","0.03","90","","2041.9","0.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Mo4 N2 O13 -","- C13 H16 Mo4 N2 O13 -","- C52 H64 Mo16 N8 O52 -","4","1","","Zhao, Y. H.; Jin, X. C.; Chen, L.; Ding, Y. F.; Mao, Z.; Fu, H.; Ao, Y. H.","Two new molybdates based on ∞[MonO3n+1]2− units (n = 11, 4) with proton conduction under ionothermal","RSC Advances","2017","7","12","7210","","10.1039/C6RA26729G","","","0.71073","MoKα","","0.0276","0.0252","","","0.0813","0.0833","","","","","","0.951","","","","has coordinates","235347","2020-10-21","18:00:00",""
"7236277","13.2348","0.001","5.427","0.0004","29.837","0.002","90","","96.396","0.002","90","","2129.7","0.3","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18 H18 Mo11 N6 O35 -","- C18 H18 Mo11 N6 O35 -","- C36 H36 Mo22 N12 O70 -","2","0.5","","Zhao, Y. H.; Jin, X. C.; Chen, L.; Ding, Y. F.; Mao, Z.; Fu, H.; Ao, Y. H.","Two new molybdates based on ∞[MonO3n+1]2− units (n = 11, 4) with proton conduction under ionothermal","RSC Advances","2017","7","12","7210","","10.1039/C6RA26729G","","","0.71073","MoKα","","0.0426","0.0341","","","0.1367","0.1503","","","","","","0.948","","","","has coordinates","235347","2020-10-21","18:00:00",""
"7236278","6.9601","0.00016","7.10939","0.00015","27.6935","0.0007","90","","90","","90","","1370.33","0.06","101.5","","101.5","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O4 -","- C15 H24 O4 -","- C60 H96 O16 -","4","1","","Li, Yong; Liu, Dong; Cheng, Zhongbin; Proksch, Peter; Lin, Wenhan","Cytotoxic trichothecene-type sesquiterpenes from the sponge-derived fungus Stachybotrys chartarum with tyrosine kinase inhibition","RSC Advances","2017","7","12","7259","","10.1039/C6RA26956G","","","1.5418","CuKα","","0.0386","0.0381","","","0.0973","0.098","","","","","","1.09","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236279","10.4204","0.0003","13.0839","0.0003","20.0354","0.0007","90","","90","","90","","2731.62","0.14","103","2","103","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38.5 O11.25 -","- C29 H38.5 O11.25 -","- C116 H154 O45 -","4","1","","Li, Yong; Liu, Dong; Cheng, Zhongbin; Proksch, Peter; Lin, Wenhan","Cytotoxic trichothecene-type sesquiterpenes from the sponge-derived fungus Stachybotrys chartarum with tyrosine kinase inhibition","RSC Advances","2017","7","12","7259","","10.1039/C6RA26956G","","","1.54184","CuKα","","0.0367","0.0351","","","0.0909","0.0925","","","","","","1.032","","","","has coordinates","235349","2020-10-21","18:00:00",""
"7236280","6.4486","0.0003","11.3707","0.001","17.7648","0.0015","90","","90","","90","","1302.61","0.17","98.8","","98.8","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Li, Yong; Liu, Dong; Cheng, Zhongbin; Proksch, Peter; Lin, Wenhan","Cytotoxic trichothecene-type sesquiterpenes from the sponge-derived fungus Stachybotrys chartarum with tyrosine kinase inhibition","RSC Advances","2017","7","12","7259","","10.1039/C6RA26956G","","","1.54184","CuKα","","0.0419","0.0404","","","0.1036","0.1049","","","","","","1.0502","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236281","15.569","0.003","7.7545","0.0016","13.712","0.003","90","","99.11","0.03","90","","1634.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Co N O10 -","- C13 H19 Co N O10 -","- C52 H76 Co4 N4 O40 -","4","1","","Song, Jiang-Feng; Jia, Ying-Ying; Zhou, Rui-Sha; Li, Si-Zhe; Qiu, Xiao-Min; Liu, Jie","Six new coordination compounds based on rigid 5-(3-carboxy-phenyl)-pyridine-2-carboxylic acid: synthesis, structural variations and properties","RSC Advances","2017","7","12","7217","","10.1039/C6RA26966D","","","0.71073","MoKα","","0.0479","0.0394","","","0.091","0.0969","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236282","35.36","0.007","11.899","0.002","7.9016","0.0016","90","","90.88","0.03","90","","3324.2","1.1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 Cd3 N2 O23 P2 -","- C26 H30 Cd3 N2 O23 P2 -","- C104 H120 Cd12 N8 O92 P8 -","4","0.5","","Song, Jiang-Feng; Jia, Ying-Ying; Zhou, Rui-Sha; Li, Si-Zhe; Qiu, Xiao-Min; Liu, Jie","Six new coordination compounds based on rigid 5-(3-carboxy-phenyl)-pyridine-2-carboxylic acid: synthesis, structural variations and properties","RSC Advances","2017","7","12","7217","","10.1039/C6RA26966D","","","0.71073","MoKα","","0.0612","0.0539","","","0.151","0.1569","","","","","","1.058","","","","has coordinates,has disorder","235351","2020-10-21","18:00:00",""
"7236283","8.3091","0.0006","7.1846","0.0006","19.0036","0.0014","90","","98.168","0.007","90","","1122.96","0.15","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Cu N2 O8 -","- C26 H16 Cu N2 O8 -","- C52 H32 Cu2 N4 O16 -","2","0.5","","Song, Jiang-Feng; Jia, Ying-Ying; Zhou, Rui-Sha; Li, Si-Zhe; Qiu, Xiao-Min; Liu, Jie","Six new coordination compounds based on rigid 5-(3-carboxy-phenyl)-pyridine-2-carboxylic acid: synthesis, structural variations and properties","RSC Advances","2017","7","12","7217","","10.1039/C6RA26966D","","","0.71073","MoKα","","0.0484","0.037","","","0.0821","0.0902","","","","","","1.095","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236284","7.7894","0.0016","12.085","0.002","14.169","0.003","82.94","0.03","81.63","0.03","89.49","0.03","1309.5","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cd2 N2 O13 -","- C26 H24 Cd2 N2 O13 -","- C52 H48 Cd4 N4 O26 -","2","1","","Song, Jiang-Feng; Jia, Ying-Ying; Zhou, Rui-Sha; Li, Si-Zhe; Qiu, Xiao-Min; Liu, Jie","Six new coordination compounds based on rigid 5-(3-carboxy-phenyl)-pyridine-2-carboxylic acid: synthesis, structural variations and properties","RSC Advances","2017","7","12","7217","","10.1039/C6RA26966D","","","0.71073","MoKα","","0.0322","0.025","","","0.0675","0.0819","","","","","","1.179","","","","has coordinates","235351","2020-10-21","18:00:00",""
"7236285","15.569","0.003","7.7545","0.0016","13.712","0.003","90","","99.11","0.03","90","","1634.6","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 N Ni O10 -","- C13 H19 N Ni O10 -","- C52 H76 N4 Ni4 O40 -","4","1","","Song, Jiang-Feng; Jia, Ying-Ying; Zhou, Rui-Sha; Li, Si-Zhe; Qiu, Xiao-Min; Liu, Jie","Six new coordination compounds based on rigid 5-(3-carboxy-phenyl)-pyridine-2-carboxylic acid: synthesis, structural variations and properties","RSC Advances","2017","7","12","7217","","10.1039/C6RA26966D","","","0.71073","MoKα","","0.0387","0.0343","","","0.0817","0.0828","","","","","","1.136","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236286","13.136","0.003","14.882","0.003","15.283","0.003","116.26","0.03","93.42","0.03","108.77","0.03","2464","1.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H82 Mn7 N8 O44 -","- C104 H76 Mn7 N8 O44 -","- C104 H76 Mn7 N8 O44 -","1","0.5","","Song, Jiang-Feng; Jia, Ying-Ying; Zhou, Rui-Sha; Li, Si-Zhe; Qiu, Xiao-Min; Liu, Jie","Six new coordination compounds based on rigid 5-(3-carboxy-phenyl)-pyridine-2-carboxylic acid: synthesis, structural variations and properties","RSC Advances","2017","7","12","7217","","10.1039/C6RA26966D","","","0.71073","MoKα","","0.055","0.0402","","","0.0976","0.1026","","","","","","1.068","","","","has coordinates","235351","2020-10-21","18:00:00",""
"7236287","22.15","0.004","5.97","0.001","15.611","0.003","90","","90","","90","","2064.3","0.6","113","2","113","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C24 H23 Cl N2 O3 -","- C24 H23 Cl N2 O3 -","- C96 H92 Cl4 N8 O12 -","4","1","","Zhao, Hong-Wu; Zhao, Yu-Di; Liu, Yue-Yang; Zhao, Li-Jiao; Feng, Ning-Ning; Pang, Hai-Liang; Chen, Xiao-Qin; Song, Xiu-Qing; Du, Juan","Facile access to novel 1,2,4-oxadiazinan-5-ones via [3 + 3] cycloaddition of in situ generated azaoxyallyl cations with nitrones","RSC Advances","2017","7","21","12916","","10.1039/C6RA27440D","","","0.71073","MoKα","","0.0231","0.0221","","","0.0583","0.0588","","","","","","1.041","","","","has coordinates","301866","2025-08-22","21:38:31",""
"7236288","17.3405","0.0015","13.6821","0.0011","25.213","0.002","90","","109.982","0.002","90","","5621.8","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H24 Cd N6 O4 -","- C35 H24 Cd N6 O4 -","- C140 H96 Cd4 N24 O16 -","4","1","","Meng, Xiang-min; Zhang, Xia; Qi, Peng-fei; Zong, Zi-ao; Jin, Fan; Fan, Yu-hua","Syntheses, structures, luminescent and photocatalytic properties of various polymers based on a “V”-shaped dicarboxylic acid","RSC Advances","2017","7","9","4855","","10.1039/C6RA27509E","","","0.71073","MoKα","","0.1063","0.055","","","0.1251","0.1338","","","","","","1.059","","","","has coordinates,has disorder","235354","2020-10-21","18:00:00",""
"7236289","17.7764","0.0015","13.6685","0.0012","15.2008","0.0013","90","","102.863","0.002","90","","3600.8","0.5","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C33 H24 Cd N4 O4 -","- C33 H24 Cd N4 O4 -","- C132 H96 Cd4 N16 O16 -","4","1","","Meng, Xiang-min; Zhang, Xia; Qi, Peng-fei; Zong, Zi-ao; Jin, Fan; Fan, Yu-hua","Syntheses, structures, luminescent and photocatalytic properties of various polymers based on a “V”-shaped dicarboxylic acid","RSC Advances","2017","7","9","4855","","10.1039/C6RA27509E","","","0.71073","MoKα","","0.1115","0.0764","","","0.2214","0.2346","","","","","","1.096","","","","has coordinates,has disorder","235354","2020-10-21","18:00:00",""
"7236290","32.919","0.003","6.8673","0.0005","21.6901","0.0019","90","","114.515","0.002","90","","4461.3","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H40 N4 O8 Zn -","- C58 H40 N4 O8 Zn -","- C232 H160 N16 O32 Zn4 -","4","0.5","","Meng, Xiang-min; Zhang, Xia; Qi, Peng-fei; Zong, Zi-ao; Jin, Fan; Fan, Yu-hua","Syntheses, structures, luminescent and photocatalytic properties of various polymers based on a “V”-shaped dicarboxylic acid","RSC Advances","2017","7","9","4855","","10.1039/C6RA27509E","","","0.71073","MoKα","","0.0819","0.0438","","","0.0952","0.108","","","","","","1.026","","","","has coordinates","235354","2020-10-21","18:00:00",""
"7236291","14.0719","0.0013","21.6271","0.0019","9.975","0.0009","90","","90","","90","","3035.7","0.5","298","2","298","2","","","","","","","","5","I 21 21 21","I 2b 2c","24","","","","- C34 H27 Cd N4 O4.5 -","- C34 H27 Cd N4 O4.5 -","- C136 H108 Cd4 N16 O18 -","4","0.5","","Meng, Xiang-min; Zhang, Xia; Qi, Peng-fei; Zong, Zi-ao; Jin, Fan; Fan, Yu-hua","Syntheses, structures, luminescent and photocatalytic properties of various polymers based on a “V”-shaped dicarboxylic acid","RSC Advances","2017","7","9","4855","","10.1039/C6RA27509E","","","0.71073","MoKα","","0.0744","0.047","","","0.0929","0.1013","","","","","","1.068","","","","has coordinates,has disorder","235354","2020-10-21","18:00:00",""
"7236502","19.52","0.004","13.946","0.003","13.312","0.003","90","","90","","90","","3623.9","1.4","153","2","153.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H16 F3 N3 O3 -","- C20 H16 F3 N3 O3 -","- C160 H128 F24 N24 O24 -","8","1","","Zhu, Xin; He, Zhi; Li, Qiu-Yan; Wang, Xiao-Jun","Direct C(sp2)–H amination of aryl aldehyde-derived hydrazones via visible light promoted photoredox catalysis","RSC Advances","2017","7","40","25171","","10.1039/C7RA01229B","","","0.71073","MoKα","","0.0719","0.0669","","","0.1318","0.1341","","","","","","1.251","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236503","11.6555","0.0005","12.1165","0.0005","12.1203","0.0005","113.972","0.001","102.453","0.001","92.957","0.001","1508.54","0.11","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","(Velutinindimer C)(chloroform)","","- C31 H29 Cl3 O8 -","- C31 H29 Cl3 O8 -","- C62 H58 Cl6 O16 -","2","1","","Wongsa, N.; Kanokmedhakul, K.; Boonmak, J.; Youngme, S.; Kanokmedhakul, S.","Bicyclic lactones and racemic mixtures of dimeric styrylpyrones from the leaves of Miliusa velutina","RSC Advances","2017","7","41","25285","","10.1039/C7RA01609C","","","0.71073","MoKα","","0.0824","0.0642","","","0.2102","0.2211","","","","","","2","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236504","23.725","0.004","5.5211","0.001","39.408","0.007","90","","90","","90","","5162","1.6","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","Velutinindimer B","","- C30 H28 O8 -","- C30 H28 O8 -","- C240 H224 O64 -","8","2","","Wongsa, N.; Kanokmedhakul, K.; Boonmak, J.; Youngme, S.; Kanokmedhakul, S.","Bicyclic lactones and racemic mixtures of dimeric styrylpyrones from the leaves of Miliusa velutina","RSC Advances","2017","7","41","25285","","10.1039/C7RA01609C","","","0.71073","MoKα","","0.1017","0.0508","","","0.1043","0.1225","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:32",""
"7236505","18.413","0.004","16.514","0.003","14.665","0.003","90","","107.49","0.03","90","","4253.1","1.6","100","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C90 H72 N18 O7 Zn2 -","- C90 H70 N18 O7 Zn2 -","- C180 H140 N36 O14 Zn4 -","2","1","","Lohar, Somenath; Pal, Siddhartha; Mukherjee, Manjira; Maji, Abhishek; Demitri, Nicola; Chattopadhyay, Pabitra","A turn-on green channel Zn2+ sensor and the resulting zinc(ii) complex as a red channel HPO42− ion sensor: a new approach","RSC Advances","2017","7","41","25528","","10.1039/C7RA02175E","","","0.7","synchrotron","","0.1308","0.1063","","","0.263","0.2804","","","","","","1.122","","","","has coordinates","287929","2023-12-01","12:10:10",""
"7236506","28.3358","0.0012","20.1143","0.0007","20.9817","0.0007","90","","118.325","0.004","90","","10526.8","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H51 Eu2 N11 O18 -","- C42 H51 Eu2 N11 O18 -","- C336 H408 Eu16 N88 O144 -","8","1","","Zhou, Jing-Jing; Song, Xue-Qin; liu, Yuan-Ang; Wang, Xiao-Long","Substituent-tuned structure and luminescence sensitizing towards Al3+ based on phenoxy bridged dinuclear EuIII complexes","RSC Advances","2017","7","41","25549","","10.1039/C7RA02386C","","","0.71073","MoKα","","0.078","0.0514","","","0.1221","0.1388","","","","","","1.053","","","","has coordinates,has disorder","236240","2020-10-21","18:00:00",""
"7236507","17.4511","0.0007","17.4511","0.0007","40.5949","0.0016","90","","90","","120","","10706.5","0.7","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C48 H42 Eu2 N12 O24 -","- C48 H42 Eu2 N12 O24 -","- C288 H252 Eu12 N72 O144 -","6","0.333333","","Zhou, Jing-Jing; Song, Xue-Qin; liu, Yuan-Ang; Wang, Xiao-Long","Substituent-tuned structure and luminescence sensitizing towards Al3+ based on phenoxy bridged dinuclear EuIII complexes","RSC Advances","2017","7","41","25549","","10.1039/C7RA02386C","","","0.71","MoKα","","0.0772","0.0539","","","0.1675","0.182","","","","","","1.036","","","","has coordinates,has disorder","236240","2020-10-21","18:00:00",""
"7236508","12.916","0.004","6.8394","0.0018","14.546","0.005","90","","112.385","0.008","90","","1188.1","0.6","173","","173","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C22 H26 F5 N O2 Pt S -","- C22 H26 F5 N O2 Pt S -","- C44 H52 F10 N2 O4 Pt2 S2 -","2","0.5","","Henwood, Adam F.; Webster, James; Cordes, David; Slawin, Alexandra M. Z.; Jacquemin, Denis; Zysman-Colman, Eli","Phosphorescent platinum(ii) complexes bearing pentafluorosulfanyl substituted cyclometalating ligands","RSC Advances","2017","7","41","25566","","10.1039/C7RA03190D","","","0.71075","MoKα","","0.0968","0.0746","","","0.1799","0.1994","","","","","","1.165","","","","has coordinates","236242","2020-10-21","18:00:00",""
"7236509","12.2353","0.001","13.7645","0.0013","28.3482","0.0018","90","","90","","90","","4774.2","0.7","173","","173","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H26 F5 N O2 Pt S -","- C22 H26 F5 N O2 Pt S -","- C176 H208 F40 N8 O16 Pt8 S8 -","8","1","","Henwood, Adam F.; Webster, James; Cordes, David; Slawin, Alexandra M. Z.; Jacquemin, Denis; Zysman-Colman, Eli","Phosphorescent platinum(ii) complexes bearing pentafluorosulfanyl substituted cyclometalating ligands","RSC Advances","2017","7","41","25566","","10.1039/C7RA03190D","","","0.71075","MoKα","","0.0253","0.0167","","","0.0304","0.0328","","","","","","1.072","","","","has coordinates","236242","2020-10-21","18:00:00",""
"7236510","14.394","","11.986","","7.044","","93.01","","100.75","","73.93","","1147.29","","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H18 Cu O10 -","- C30 H18 Cu O10 -","- C60 H36 Cu2 O20 -","2","1","","Mandal, Bitapi; Singha, Soumen; Dey, Sanjoy Kumar; Mazumdar, Swagata; Kumar, Sanjay; Karmakar, Parimal; Das, Saurabh","CuII complex of emodin with improved anticancer activity as demonstrated by its performance on HeLa and Hep G2 cells","RSC Advances","2017","7","66","41403","","10.1039/C7RA06696A","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.54036","","2.2","","","","","","","has coordinates","236244","2020-10-21","18:00:00",""
"7236511","22.602","0.001","13.646","0.001","17.163","0.001","90","","125.812","0.001","90","","4292.7","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H80 N24 Ni4 O26 S2 -","- C84 H80 N24 Ni4 O26 S2 -","- C168 H160 N48 Ni8 O52 S4 -","2","0.25","","Deng, Ye; Yao, Zhao-Yu; Wang, Peng; Zhao, Yue; Kang, Yan-Shang; Azam, Mohammad; Al-Resayes, Saud I.; Sun, Wei-Yin","Sorption and sensing properties of coordination polymers with mixed 1,3,5-tri(1-imidazolyl)benzene and 2,6-naphthalenedicarboxylate ligands","RSC Advances","2017","7","71","44639","","10.1039/C7RA08165K","","","0.71073","MoKα","","0.0426","0.0379","","","0.1008","0.1044","","","","","","1.086","","","","has coordinates,has disorder","236246","2020-10-21","18:00:00",""
"7236512","23.6468","0.0018","13.261","0.001","17.991","0.002","90","","126.758","0.001","90","","4519.9","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 Cd2 N12 O14 S -","- C42 H42 Cd2 N12 O14 S -","- C168 H168 Cd8 N48 O56 S4 -","4","0.5","","Deng, Ye; Yao, Zhao-Yu; Wang, Peng; Zhao, Yue; Kang, Yan-Shang; Azam, Mohammad; Al-Resayes, Saud I.; Sun, Wei-Yin","Sorption and sensing properties of coordination polymers with mixed 1,3,5-tri(1-imidazolyl)benzene and 2,6-naphthalenedicarboxylate ligands","RSC Advances","2017","7","71","44639","","10.1039/C7RA08165K","","","0.71073","MoKα","","0.025","0.0212","","","0.0483","0.0502","","","","","","1.073","","","","has coordinates,has disorder","236246","2020-10-21","18:00:00",""
"7236513","22.802","0.002","13.5397","0.0012","17.2991","0.0015","90","","125.99","0.001","90","","4321.3","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H84 Co4 N24 O28 S2 -","- C84 H84 Co4 N24 O28 S2 -","- C168 H168 Co8 N48 O56 S4 -","2","0.25","","Deng, Ye; Yao, Zhao-Yu; Wang, Peng; Zhao, Yue; Kang, Yan-Shang; Azam, Mohammad; Al-Resayes, Saud I.; Sun, Wei-Yin","Sorption and sensing properties of coordination polymers with mixed 1,3,5-tri(1-imidazolyl)benzene and 2,6-naphthalenedicarboxylate ligands","RSC Advances","2017","7","71","44639","","10.1039/C7RA08165K","","","0.71073","MoKα","","0.0587","0.0458","","","0.1239","0.1353","","","","","","0.991","","","","has coordinates,has disorder","236246","2020-10-21","18:00:00",""
"7236514","13.572","0.005","14.157","0.005","19.505","0.008","93.398","0.011","110.063","0.009","90.003","0.01","3513","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49.5 H49.5 Cd2 N16.5 O13.5 -","- C42 H30 Cd2 N14 O10 -","- C84 H60 Cd4 N28 O20 -","2","1","","Deng, Ye; Yao, Zhao-Yu; Wang, Peng; Zhao, Yue; Kang, Yan-Shang; Azam, Mohammad; Al-Resayes, Saud I.; Sun, Wei-Yin","Sorption and sensing properties of coordination polymers with mixed 1,3,5-tri(1-imidazolyl)benzene and 2,6-naphthalenedicarboxylate ligands","RSC Advances","2017","7","71","44639","","10.1039/C7RA08165K","","","0.71073","MoKα","","0.1494","0.1021","","","0.2452","0.2695","","","","","","1.031","","","","has coordinates","236246","2020-10-21","18:00:00",""
"7236515","19.1253","0.0009","19.1253","0.0009","8.5716","0.0008","90","","90","","120","","2715.2","0.3","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C22 H14 N4 O4 Zn -","- C22 H14 N4 O4 Zn -","- C132 H84 N24 O24 Zn6 -","6","1","","Deng, Ye; Yao, Zhao-Yu; Wang, Peng; Zhao, Yue; Kang, Yan-Shang; Azam, Mohammad; Al-Resayes, Saud I.; Sun, Wei-Yin","Sorption and sensing properties of coordination polymers with mixed 1,3,5-tri(1-imidazolyl)benzene and 2,6-naphthalenedicarboxylate ligands","RSC Advances","2017","7","71","44639","","10.1039/C7RA08165K","","","0.71073","MoKα","","0.0476","0.0357","","","0.0891","0.0941","","","","","","1.03","","","","has coordinates,has disorder","236246","2020-10-21","18:00:00",""
"7237202","14.7957","0.0005","15.5641","0.0005","18.4453","0.0006","90","","90","","90","","4247.6","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","ZIF-4-Co","","- C7.5 H9.5 Co N4.5 O0.5 -","- C7.5 H9.5 Co N4.5 O0.5 -","- C120 H152 Co16 N72 O8 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Pallach, Roman; Salamon, Soma; Moldenhauer, Henning; Landers, Joachim; Wende, Heiko; Debus, Jörg; Henke, Sebastian","Porous purple glass ‒ a cobalt imidazolate glass with accessible porosity from a meltable cobalt imidazolate framework","Journal of Materials Chemistry A","2019","7","3","985","","10.1039/C8TA08016J","","x-ray","0.71073","MoKα","","0.0532","0.0415","","","0.1105","0.122","","","","","","1.044","","","","has coordinates","237482","2020-10-21","18:00:00",""
"7237203","15.4567","0.0008","15.5793","0.0008","18.134","0.0008","90","","90","","90","","4366.8","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","ZIF-62-Zn-bim0.35","","- C7 H6.5 N4 Zn -","- C7 H6.5 N4 Zn -","- C112 H104 N64 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Pallach, Roman; Salamon, Soma; Moldenhauer, Henning; Landers, Joachim; Wende, Heiko; Debus, Jörg; Henke, Sebastian","Porous purple glass ‒ a cobalt imidazolate glass with accessible porosity from a meltable cobalt imidazolate framework","Journal of Materials Chemistry A","2019","7","3","985","","10.1039/C8TA08016J","","x-ray","0.71073","MoKα","","0.0772","0.0512","","","0.1267","0.1411","","","","","","1.02","","","","has coordinates,has disorder","237482","2020-10-21","18:00:00",""
"7237204","15.4329","0.0012","15.6983","0.0009","18.131","0.0012","90","","90","","90","","4392.6","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","ZIF-62-Co-bim0.30","","- C7 H6.5 Co N4 -","- C7 H6.5 Co N4 -","- C112 H104 Co16 N64 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Pallach, Roman; Salamon, Soma; Moldenhauer, Henning; Landers, Joachim; Wende, Heiko; Debus, Jörg; Henke, Sebastian","Porous purple glass ‒ a cobalt imidazolate glass with accessible porosity from a meltable cobalt imidazolate framework","Journal of Materials Chemistry A","2019","7","3","985","","10.1039/C8TA08016J","","x-ray","0.71073","MoKα","","0.0925","0.0551","","","0.1317","0.1615","","","","","","1.027","","","","has coordinates,has disorder","237482","2020-10-21","18:00:00",""
"7237205","15.6595","0.0005","14.6464","0.0004","18.389","0.0007","90","","90","","90","","4217.6","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","ZIF-4-Zn","","- C7.5 H9.5 N4.5 O0.5 Zn -","- C7.5 H9.5 N4.5 O0.5 Zn -","- C120 H152 N72 O8 Zn16 -","16","2","","Frentzel-Beyme, Louis; Kloß, Marvin; Pallach, Roman; Salamon, Soma; Moldenhauer, Henning; Landers, Joachim; Wende, Heiko; Debus, Jörg; Henke, Sebastian","Porous purple glass ‒ a cobalt imidazolate glass with accessible porosity from a meltable cobalt imidazolate framework","Journal of Materials Chemistry A","2019","7","3","985","","10.1039/C8TA08016J","","x-ray","0.71073","MoKα","","0.0369","0.0282","","","0.0715","0.0756","","","","","","1.032","","","","has coordinates","237482","2020-10-21","18:00:00",""
"7237226","7.7684","0.0006","12.9163","0.001","9.8493","0.0007","90","","100.421","0.003","90","","971.97","0.13","110","2","110","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C2 H9.5 La0.5 N9 O4 -","- C2 H9.5 La0.5 N9 O4 -","- C8 H38 La2 N36 O16 -","4","1","","Dahan, Moran; Komarala, Eswaravara; Fadeev, Ludmila; Chinnam, Ajay K.; Shlomovich, Avital; Lipstman, Sophia; Padi, Siva P.; Haustein, Herman; Gozin, Michael; Rosen, Brian A.","Methane dry reforming catalyst prepared by the co-deflagration of high-nitrogen energetic complexes","Journal of Materials Chemistry A","2019","7","1","141","","10.1039/C8TA08343F","","","0.71073","MoKα","","0.0199","0.0189","","","0.0448","0.0456","","","","","","1.062","","","","has coordinates","237501","2020-10-21","18:00:00",""
"7237228","19.4081","0.0015","19.4081","0.0015","24.197","0.002","90","","90","","120","","7893.3","1.1","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C102 H60 Co6 N18 O25 -","- C102 H60 Co6 N18 O25 -","- C204 H120 Co12 N36 O50 -","2","0.166667","","Xue, Ying-Ying; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng; Zhai, Quan-Guo","Quest for 9-connected robust metal‒organic framework platforms based on [M3(O/OH)(COO)6(pyridine)3] clusters as excellent gas separation and asymmetric supercapacitor materials","Journal of Materials Chemistry A","2019","7","9","4640","","10.1039/C8TA09080G","","","1.54178","CuKα","","0.1003","0.0594","","","0.0836","0.0901","","","","","","0.968","","","","has coordinates","237504","2020-10-21","18:00:00",""
"7237229","19.2359","0.0013","19.2359","0.0013","24.063","0.002","90","","90","","120","","7710.9","1","293","2","293","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C102 H60 N18 Ni6 O25 -","- C102 H60 N18 Ni6 O25 -","- C204 H120 N36 Ni12 O50 -","2","0.166667","","Xue, Ying-Ying; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng; Zhai, Quan-Guo","Quest for 9-connected robust metal‒organic framework platforms based on [M3(O/OH)(COO)6(pyridine)3] clusters as excellent gas separation and asymmetric supercapacitor materials","Journal of Materials Chemistry A","2019","7","9","4640","","10.1039/C8TA09080G","","","1.54178","CuKα","","0.1218","0.0714","","","0.1662","0.1893","","","","","","0.9","","","","has coordinates","237504","2020-10-21","18:00:00",""
"7237230","19.2411","0.0006","19.2411","0.0006","23.8936","0.0011","90","","90","","120","","7660.8","0.5","293","2","293","2","","","","","","","","5","P -6 c 2","P -6c 2","188","","","","- C96 H54 Co6 N24 O25 -","- C96 H54 Co6 N24 O25 -","- C192 H108 Co12 N48 O50 -","2","0.166667","","Xue, Ying-Ying; Li, Shu-Ni; Jiang, Yu-Cheng; Hu, Man-Cheng; Zhai, Quan-Guo","Quest for 9-connected robust metal‒organic framework platforms based on [M3(O/OH)(COO)6(pyridine)3] clusters as excellent gas separation and asymmetric supercapacitor materials","Journal of Materials Chemistry A","2019","7","9","4640","","10.1039/C8TA09080G","","","1.54178","CuKα","","0.0915","0.0759","","","0.1939","0.2043","","","","","","0.972","","","","has coordinates","237504","2020-10-21","18:00:00",""
"7237234","10.8976","0.0003","11.2977","0.0003","23.3163","0.0007","90","","98.257","0.003","90","","2840.89","0.14","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 Bi3 I10 N -","- C6 H8 Bi3 I10 N -","- C24 H32 Bi12 I40 N4 -","4","0.5","","Usoltsev, Andrey N.; Elshobaki, Moneim; Adonin, Sergey A.; Frolova, Lyubov A.; Derzhavskaya, Tatiyana; Abramov, Pavel A.; Anokhin, Denis V.; Korolkov, Ilya V.; Luchkin, Sergey Yu.; Dremova, Nadezhda N.; Stevenson, Keith J.; Sokolov, Maxim N.; Fedin, Vladimir P.; Troshin, Pavel A.","Polymeric iodobismuthates {[Bi3I10]} and {[BiI4]} with N-heterocyclic cations: promising perovskite-like photoactive materials for electronic devices","Journal of Materials Chemistry A","2019","7","11","5957","","10.1039/C8TA09204D","","x-ray","0.71073","MoKα","","0.0559","0.0513","","","0.1248","0.1274","","","","","","1.069","","","","has coordinates","237508","2020-10-21","18:00:00",""
"7237235","7.6749","0.0003","10.0389","0.0004","11.4778","0.0005","71.809","0.004","84.837","0.003","83.29","0.003","833.04","0.06","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Bi I4 N -","- C10 H10 Bi I4 N -","- C20 H20 Bi2 I8 N2 -","2","1","","Usoltsev, Andrey N.; Elshobaki, Moneim; Adonin, Sergey A.; Frolova, Lyubov A.; Derzhavskaya, Tatiyana; Abramov, Pavel A.; Anokhin, Denis V.; Korolkov, Ilya V.; Luchkin, Sergey Yu.; Dremova, Nadezhda N.; Stevenson, Keith J.; Sokolov, Maxim N.; Fedin, Vladimir P.; Troshin, Pavel A.","Polymeric iodobismuthates {[Bi3I10]} and {[BiI4]} with N-heterocyclic cations: promising perovskite-like photoactive materials for electronic devices","Journal of Materials Chemistry A","2019","7","11","5957","","10.1039/C8TA09204D","","x-ray","0.71073","MoKα","","0.048","0.0417","","","0.0855","0.0893","","","","","","1.026","","","","has coordinates","237508","2020-10-21","18:00:00",""
"7237236","7.653","0.0002","27.2277","0.0006","14.2784","0.0004","90","","95.354","0.002","90","","2962.26","0.13","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 Bi3 I10 N -","- C7 H10 Bi3 I10 N -","- C28 H40 Bi12 I40 N4 -","4","1","","Usoltsev, Andrey N.; Elshobaki, Moneim; Adonin, Sergey A.; Frolova, Lyubov A.; Derzhavskaya, Tatiyana; Abramov, Pavel A.; Anokhin, Denis V.; Korolkov, Ilya V.; Luchkin, Sergey Yu.; Dremova, Nadezhda N.; Stevenson, Keith J.; Sokolov, Maxim N.; Fedin, Vladimir P.; Troshin, Pavel A.","Polymeric iodobismuthates {[Bi3I10]} and {[BiI4]} with N-heterocyclic cations: promising perovskite-like photoactive materials for electronic devices","Journal of Materials Chemistry A","2019","7","11","5957","","10.1039/C8TA09204D","","x-ray","0.71073","MoKα","","0.0428","0.0299","","","0.0519","0.0543","","","","","","1.044","","","","has coordinates","237508","2020-10-21","18:00:00",""
"7237237","16.4361","0.0004","22.9617","0.0009","11.2234","0.0003","90","","90","","90","","4235.7","0.2","130","2","130","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C23 H33 Bi2 I9 N4 -","- C23 H30 Bi2 I9 N4 -","- C92 H120 Bi8 I36 N16 -","4","0.5","","Usoltsev, Andrey N.; Elshobaki, Moneim; Adonin, Sergey A.; Frolova, Lyubov A.; Derzhavskaya, Tatiyana; Abramov, Pavel A.; Anokhin, Denis V.; Korolkov, Ilya V.; Luchkin, Sergey Yu.; Dremova, Nadezhda N.; Stevenson, Keith J.; Sokolov, Maxim N.; Fedin, Vladimir P.; Troshin, Pavel A.","Polymeric iodobismuthates {[Bi3I10]} and {[BiI4]} with N-heterocyclic cations: promising perovskite-like photoactive materials for electronic devices","Journal of Materials Chemistry A","2019","7","11","5957","","10.1039/C8TA09204D","","x-ray","0.71073","MoKα","","0.053","0.0376","","","0.0833","0.0902","","","","","","1.057","","","","has coordinates,has disorder","237508","2020-10-21","18:00:00",""
"7237238","7.6699","0.0003","16.336","0.0007","13.1719","0.0006","90","","91.06","0.004","90","","1650.1","0.12","130","2","130","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10 H10 Bi I4 N -","- C10 Bi I4 N -","- C40 Bi4 I16 N4 -","4","0.5","","Usoltsev, Andrey N.; Elshobaki, Moneim; Adonin, Sergey A.; Frolova, Lyubov A.; Derzhavskaya, Tatiyana; Abramov, Pavel A.; Anokhin, Denis V.; Korolkov, Ilya V.; Luchkin, Sergey Yu.; Dremova, Nadezhda N.; Stevenson, Keith J.; Sokolov, Maxim N.; Fedin, Vladimir P.; Troshin, Pavel A.","Polymeric iodobismuthates {[Bi3I10]} and {[BiI4]} with N-heterocyclic cations: promising perovskite-like photoactive materials for electronic devices","Journal of Materials Chemistry A","2019","7","11","5957","","10.1039/C8TA09204D","","x-ray","0.71073","MoKα","","0.0333","0.0318","","","0.0753","0.076","","","","","","1.056","","","","has coordinates","237508","2020-10-21","18:00:00",""
"7237239","15.5976","0.0008","23.0812","0.0013","11.0806","0.0005","90","","90","","90","","3989.1","0.4","130","2","130","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H24 Bi2 I9 N3 -","- C18 H24 Bi2 I9 N3 -","- C72 H96 Bi8 I36 N12 -","4","0.5","","Usoltsev, Andrey N.; Elshobaki, Moneim; Adonin, Sergey A.; Frolova, Lyubov A.; Derzhavskaya, Tatiyana; Abramov, Pavel A.; Anokhin, Denis V.; Korolkov, Ilya V.; Luchkin, Sergey Yu.; Dremova, Nadezhda N.; Stevenson, Keith J.; Sokolov, Maxim N.; Fedin, Vladimir P.; Troshin, Pavel A.","Polymeric iodobismuthates {[Bi3I10]} and {[BiI4]} with N-heterocyclic cations: promising perovskite-like photoactive materials for electronic devices","Journal of Materials Chemistry A","2019","7","11","5957","","10.1039/C8TA09204D","","x-ray","0.71073","MoKα","","0.0347","0.0291","","","0.0628","0.0643","","","","","","1.143","","","","has coordinates","237508","2020-10-21","18:00:00",""
"7237240","9.7489","0.0005","10.0757","0.0005","10.6156","0.0005","71.619","0.004","65.447","0.005","86.347","0.004","897.32","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H18 N4 Na O16 Zn2 -","- C28 H20 N4 Na O16 Zn2 -","- C28 H20 N4 Na O16 Zn2 -","1","0.5","","Rajak, Richa; Saraf, Mohit; Mobin, Shaikh M.","Robust heterostructures of a bimetallic sodium‒zinc metal‒organic framework and reduced graphene oxide for high-performance supercapacitors","Journal of Materials Chemistry A","2019","7","4","1725","","10.1039/C8TA09528K","","","1.54184","CuKα","","0.0757","0.073","","","0.2023","0.2088","","","","","","1.041","","","","has coordinates","237511","2020-10-21","18:00:00",""
"7237241","10.399","0.0003","10.4057","0.0003","12.8116","0.0004","113.668","0.003","97.457","0.002","105.922","0.003","1174.84","0.08","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H40 Cl6 Fe2 N4 O16 S4 -","- C30 H40 Cl6 Fe2 N4 O16 S4 -","- C30 H40 Cl6 Fe2 N4 O16 S4 -","1","0.5","","Silva, Ingrid F.; Teixeira, Ivo F.; Barros, Wdeson P.; Pinheiro, Carlos B.; Ardisson, José D.; do Nascimento, Gustavo M.; Pradie, Noriberto A.; Teixeira, Ana Paula C.; Stumpf, Humberto O.","An FeIII dinuclear metallacycle complex as a size-selective adsorbent for nitrogenous compounds and a potentially effective ammonia storage material","Journal of Materials Chemistry A","2019","7","25","15225","","10.1039/C8TA09786K","","","0.71073","MoKα","","0.0362","0.0325","","","0.0837","0.0866","","","","","","1.0417","","","","has coordinates","237513","2020-10-21","18:00:00",""
"7237242","22.2297","0.0002","22.2297","0.0002","22.2297","0.0002","90","","90","","90","","10985","0.17","298","","298","","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","Mn-CCs","","- C36 H21 Mn9 O29 P4 -","- C36 H22 Mn9 O30 P4 -","- C216 H132 Mn54 O180 P24 -","6","0.125","","Liu, Xiao-Fei; Guo, Xiao-Qing; Wang, Rui; Liu, Qing-Chao; Li, Zhong-Jun; Zang, Shuang-Quan; Mak, Thomas C. W.","Manganese cluster-based MOF as efficient polysulfide-trapping platform for high-performance lithium‒sulfur batteries","Journal of Materials Chemistry A","2019","7","6","2838","","10.1039/C8TA09973A","","x-ray","1.54184","CuKα","","0.135","0.1159","","","0.3626","0.3822","","","","","","1.076","","","","has coordinates","237515","2020-10-21","18:00:00",""
"7237243","22.5987","0.0002","22.5987","0.0002","22.5987","0.0002","90","","90","","90","","11541.2","0.18","99.97","0.13","99.97","0.13","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","","","- C36 H50 Mn9 O44 P4 -","- C36 H50 Mn9 O44 P4 -","- C216 H300 Mn54 O264 P24 -","6","0.125","","Liu, Xiao-Fei; Guo, Xiao-Qing; Wang, Rui; Liu, Qing-Chao; Li, Zhong-Jun; Zang, Shuang-Quan; Mak, Thomas C. W.","Manganese cluster-based MOF as efficient polysulfide-trapping platform for high-performance lithium‒sulfur batteries","Journal of Materials Chemistry A","2019","7","6","2838","","10.1039/C8TA09973A","","x-ray","1.54184","CuKα","","0.0614","0.0595","","","0.1722","0.1752","","","","","","1.055","","","","has coordinates,has disorder","237515","2020-10-21","18:00:00",""
"7237244","14.1081","0.0004","21.3826","0.0006","8.9782","0.0003","90","","90","","90","","2708.43","0.14","180","2","180","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C60 H64 Al2 Mg O11 -","- C60 H64 Al2 Mg O11 -","- C120 H128 Al4 Mg2 O22 -","2","0.5","","Keyzer, Evan N.; Lee, Jeongjae; Liu, Zigeng; Bond, Andrew D.; Wright, Dominic S.; Grey, Clare P.","A general synthetic methodology to access magnesium aluminate electrolyte systems for Mg batteries","Journal of Materials Chemistry A","2019","7","6","2677","","10.1039/C8TA10295C","","","1.54178","CuKα","","0.0711","0.0487","","","0.0987","0.1093","","","","","","1.045","","","","has coordinates,has disorder","237517","2020-10-21","18:00:00",""
"7237245","9.9953","0.0003","16.5017","0.0005","25.7252","0.0008","90","","92.9649","0.0011","90","","4237.4","0.2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H72 Al2 Mg O8 -","- C32 H72 Al2 Mg O8 -","- C128 H288 Al8 Mg4 O32 -","4","1","","Keyzer, Evan N.; Lee, Jeongjae; Liu, Zigeng; Bond, Andrew D.; Wright, Dominic S.; Grey, Clare P.","A general synthetic methodology to access magnesium aluminate electrolyte systems for Mg batteries","Journal of Materials Chemistry A","2019","7","6","2677","","10.1039/C8TA10295C","","","1.54178","CuKα","","0.0757","0.0693","","","0.1877","0.1942","","","","","","1.035","","","","has coordinates","237517","2020-10-21","18:00:00",""
"7237246","6.68115","0.00016","21.2861","0.0004","15.903","0.0003","90","","90","","90","","2261.66","0.08","93","","93","","","","","","","","","5","C m m m","-C 2 2","65","","","","- C32 H18 Ga2 N2 O10 -","- C32 H18 Ga2 N2 O10 -","- C64 H36 Ga4 N4 O20 -","2","0.125","","Prasad, Ram R. R.; Seidner, Sarah E.; Cordes, David B.; Lozinska, Magdalena M.; Dawson, Daniel M.; Thompson, Megan J.; Düren, Tina; Chakarova, Kristina K.; Mihaylov, Mihail Y.; Hadjiivanov, Konstantin I.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Ashbrook, Sharon E.; Clarke, Matthew L.; Wright, Paul A.","STA-27, a porous Lewis acidic scandium MOF with an unexpected topology type prepared with 2,3,5,6-tetrakis(4-carboxyphenyl)pyrazine","Journal of Materials Chemistry A","2019","7","10","5685","","10.1039/C8TA10610J","","","0.71073","MoKα","","0.0363","0.0316","","","0.0932","0.0958","","","","","","1.12","","","","has coordinates,has disorder","237520","2020-10-21","18:00:00",""
"7237247","15.504","0.007","9.443","0.004","15.975","0.007","90","","99.277","0.014","90","","2308.2","1.8","173","","173","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C32 H20 N2 O11 Sc2 -","- C32 H16 N2 O11 Sc2 -","- C64 H32 N4 O22 Sc4 -","2","0.5","","Prasad, Ram R. R.; Seidner, Sarah E.; Cordes, David B.; Lozinska, Magdalena M.; Dawson, Daniel M.; Thompson, Megan J.; Düren, Tina; Chakarova, Kristina K.; Mihaylov, Mihail Y.; Hadjiivanov, Konstantin I.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Ashbrook, Sharon E.; Clarke, Matthew L.; Wright, Paul A.","STA-27, a porous Lewis acidic scandium MOF with an unexpected topology type prepared with 2,3,5,6-tetrakis(4-carboxyphenyl)pyrazine","Journal of Materials Chemistry A","2019","7","10","5685","","10.1039/C8TA10610J","","","1.54187","CuKα","","0.1725","0.1409","","","0.4052","0.4218","","","","","","1.56","","","","has coordinates","237520","2020-10-21","18:00:00",""
"7237248","32.741","0.004","7.797","0.003","8.763","0.003","90","","90","","90","","2237","1.2","173","","173","","","","","","","","","5","P m n a","-P 2ac 2","53","","","","- C34 H18 N2 O14 Sc2 -","- C34 H18 N2 O14 Sc2 -","- C68 H36 N4 O28 Sc4 -","2","0.25","","Prasad, Ram R. R.; Seidner, Sarah E.; Cordes, David B.; Lozinska, Magdalena M.; Dawson, Daniel M.; Thompson, Megan J.; Düren, Tina; Chakarova, Kristina K.; Mihaylov, Mihail Y.; Hadjiivanov, Konstantin I.; Hoffmann, Frank; Slawin, Alexandra M. Z.; Ashbrook, Sharon E.; Clarke, Matthew L.; Wright, Paul A.","STA-27, a porous Lewis acidic scandium MOF with an unexpected topology type prepared with 2,3,5,6-tetrakis(4-carboxyphenyl)pyrazine","Journal of Materials Chemistry A","2019","7","10","5685","","10.1039/C8TA10610J","","","1.54184","CuKα","","0.2885","0.1479","","","0.3396","0.4332","","","","","","0.968","","","","has coordinates","237520","2020-10-21","18:00:00",""
"7237249","12.625","0.004","9.35","0.003","26.835","0.007","90","","107.011","0.012","90","","3029.1","1.6","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H18 Co N4 O6 -","- C26 H18 Co N4 O6 -","- C104 H72 Co4 N16 O24 -","4","1","","Parmar, Bhavesh; Patel, Parth; Pillai, Renjith S.; Kureshy, Rukhsana I.; Khan, Noor-ul H.; Suresh, Eringathodi","Efficient catalytic conversion of terminal/internal epoxides to cyclic carbonates by porous Co(ii) MOF under ambient conditions: structure‒property correlation and computational studies","Journal of Materials Chemistry A","2019","7","6","2884","","10.1039/C8TA10631B","","","0.71073","MoKα","","0.0903","0.0716","","","0.163","0.1699","","","","","","1.096","","","","has coordinates","237522","2020-10-21","18:00:00",""
"7237250","5.4485","0.0003","12.4239","0.0009","16.6464","0.0011","90","","90","","90","","1126.82","0.13","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","L-PheC1Cl","","- C10 H14 Cl N O2 -","- C10 H14 Cl N O2 -","- C40 H56 Cl4 N4 O8 -","4","1","","Zhang, Lei; Yuan, Wen-Li; Zhang, Zhang; Zhang, Guo-Hao; Chen, Hao; Zhao, Nanrong; He, Ling; Tao, Guo-Hong","Self-assembled ionic nanofibers derived from amino acids for high-performance particulate matter removal","Journal of Materials Chemistry A","2019","7","9","4619","","10.1039/C8TA11382C","","x-ray","0.71073","MoKα","","0.0542","0.04","","","0.0677","0.0748","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237251","5.4456","0.0004","12.4023","0.0013","16.6206","0.0014","90","","90","","90","","1122.52","0.17","293","2","293.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","D-PheC1Cl","","- C10 H14 Cl N O2 -","- C10 H14 Cl N O2 -","- C40 H56 Cl4 N4 O8 -","4","1","","Zhang, Lei; Yuan, Wen-Li; Zhang, Zhang; Zhang, Guo-Hao; Chen, Hao; Zhao, Nanrong; He, Ling; Tao, Guo-Hong","Self-assembled ionic nanofibers derived from amino acids for high-performance particulate matter removal","Journal of Materials Chemistry A","2019","7","9","4619","","10.1039/C8TA11382C","","x-ray","0.71073","MoKα","","0.0944","0.0776","","","0.1819","0.2067","","","","","","1.071","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237252","25.681","0.005","17.209","0.003","18.359","0.004","90","","99.51","0.03","90","","8002","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H50 N9 Ni3 O19 P3 -","- C72 H50 N9 Ni3 O19 P3 -","- C288 H200 N36 Ni12 O76 P12 -","4","1","","Yu, Fan; Xiong, Xin; Zhou, Liu-Yin; Li, Jia-Luo; Liang, Ji-Yuan; Hu, Si-QIan; Lu, Wang-Ting; Li, Bao; Zhou, Hong-Cai","Hierarchical nickel/phosphorus/nitrogen/carbon composites templated by one metal‒organic framework as highly efficient supercapacitor electrode materials","Journal of Materials Chemistry A","2019","7","6","2875","","10.1039/C8TA11568K","","","0.71073","MoKα","","0.0802","0.0717","","","0.2005","0.2105","","","","","","1.01","","","","has coordinates","237527","2020-10-21","18:00:00",""
"7237253","15.1068","0.0013","15.1068","","7.998","0.0008","90","","90","","90","","1825.3","0.2","300","","300","","","","","","","","","7","I 4/m m m","-I 4 2","139","","UTSA-120","","- C26.6 H16 Cu F6 N12 O5.2 Si -","- C26.608 H16 Cu F6 N12 O5.216 Si -","- C53.216 H32 Cu2 F12 N24 O10.432 Si2 -","2","0.0625","","Wen, Hui-Min; Liao, Caijun; Li, Libo; Alsalme, Ali; Alothman, Zeid; Krishna, Rajamani; Wu, Hui; Zhou, Wei; Hu, Jun; Chen, Banglin","A metal‒organic framework with suitable pore size and dual functionalities for highly efficient post-combustion CO2 capture","Journal of Materials Chemistry A","2019","7","7","3128","","10.1039/C8TA11596F","powder diffraction","neutron","2.0775","","","","","","","","","0.18664","","1.04","","","","","","","has coordinates","237529","2020-10-21","18:00:00",""
"7237254","15.123","0.0011","15.123","","7.8349","0.0005","90","","90","","90","","1791.88","0.17","296","","296","","","","","","","","","6","I 4/m m m","-I 4 2","139","","UTSA-120","","- C24 H16 Cu F6 N12 Si -","- C24 H16 Cu F6 N12 Si -","- C48 H32 Cu2 F12 N24 Si2 -","2","0.0625","","Wen, Hui-Min; Liao, Caijun; Li, Libo; Alsalme, Ali; Alothman, Zeid; Krishna, Rajamani; Wu, Hui; Zhou, Wei; Hu, Jun; Chen, Banglin","A metal‒organic framework with suitable pore size and dual functionalities for highly efficient post-combustion CO2 capture","Journal of Materials Chemistry A","2019","7","7","3128","","10.1039/C8TA11596F","powder diffraction","neutron","2.0775","","","","","","","","","0.09273","","1.5","","","","","","","has coordinates","237529","2020-10-21","18:00:00",""
"7237255","12.931","0.0011","13.4843","0.001","15.6502","0.0011","90","","101.31","0.008","90","","2675.9","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H28 Co N20 -","- C48 H28 Co N20 -","- C96 H56 Co2 N40 -","2","0.5","","Wang, Zheng; Zhu, Cheng-Yi; Zhao, Heng-Shun; Yin, Shao-Yun; Wang, Su-Juan; Zhang, Jian-Hua; Jiang, Ji-Jun; Pan, Mei; Su, Cheng-Yong","Record high cationic dye separation performance for water sanitation using a neutral coordination framework","Journal of Materials Chemistry A","2019","7","9","4751","","10.1039/C8TA12092G","","","1.54184","CuKα","","0.1358","0.0935","","","0.1947","0.2079","","","","","","1.024","","","","has coordinates","237531","2020-10-21","18:00:00",""
"7237256","9.1585","0.0007","15.3205","0.0006","15.4803","0.0004","64.375","0.003","83.258","0.005","74.434","0.005","1886.61","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H29 Co N3 O8 S -","- C33 H29 Co N3 O8 S -","- C66 H58 Co2 N6 O16 S2 -","2","1","","Zhao, Jin-Yan; Wang, Rui; Wang, Shan; Lv, Ya-Ru; Xu, Hong; Zang, Shuang-Quan","Metal‒organic framework-derived Co9S8 embedded in N, O and S-tridoped carbon nanomaterials as an efficient oxygen bifunctional electrocatalyst","Journal of Materials Chemistry A","2019","7","13","7389","","10.1039/C8TA12116H","","x-ray","1.54184","CuKα","","0.0996","0.0785","","","0.2236","0.2425","","","","","","1.026","","","","has coordinates","237532","2020-10-21","18:00:00",""
"7237257","19.9107","0.0003","10.2319","0.0002","20.5996","0.0003","90","","91.184","0.001","90","","4195.74","0.12","212.99","0.1","212.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C60-PyP","","","- C78 H14 Cl N3 -","- C78 H14 Cl N3 -","- C312 H56 Cl4 N12 -","4","1","","Zhen, Jieming; Zhou, Weiran; Chen, Muqing; Li, Bairu; Jia, Lingbo; Wang, Mingtai; Yang, Shangfeng","Pyridine-functionalized fullerene additive enabling coordination interactions with CH3NH3PbI3 perovskite towards highly efficient bulk heterojunction solar cells","Journal of Materials Chemistry A","2019","7","6","2754","","10.1039/C8TA12206G","","x-ray","1.54184","CuKα","","0.068","0.0511","","","0.1249","0.1378","","","","","","1.05","","","","has coordinates,has disorder","237534","2020-10-21","18:00:00",""
"7237258","12.9865","0.0007","12.9865","0.0007","6.7777","0.0009","90","","90","","90","","1143.05","0.18","173","2","173","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C4 Ag5 Cl N20 O12 -","- C4 Ag5 Cl N20 O12 -","- C8 Ag10 Cl2 N40 O24 -","2","0.25","","Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming","Dancing with 5-substituted monotetrazoles, oxygen-rich ions, and silver: towards primary explosives with positive oxygen balance and excellent energetic performance","Journal of Materials Chemistry A","2019","7","9","4611","","10.1039/C8TA12506F","","","0.71073","MoKα","","0.0687","0.0335","","","0.0471","0.0536","","","","","","1.037","","","","has coordinates,has disorder","237535","2020-10-21","18:00:00",""
"7237259","12.7239","0.0014","13.7587","0.0016","14.5684","0.0013","90","","90","","90","","2550.4","0.5","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C8 H12 Ag7 N19 O9 -","- C8 H12 Ag7 N19 O9 -","- C32 H48 Ag28 N76 O36 -","4","0.5","","Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming","Dancing with 5-substituted monotetrazoles, oxygen-rich ions, and silver: towards primary explosives with positive oxygen balance and excellent energetic performance","Journal of Materials Chemistry A","2019","7","9","4611","","10.1039/C8TA12506F","","","0.71073","MoKα","","0.0924","0.0489","","","0.0694","0.0804","","","","","","1.033","","","","has coordinates","237535","2020-10-21","18:00:00",""
"7237260","10.9448","0.001","8.0109","0.0009","10.9401","0.0009","90","","98.04","0.003","90","","949.77","0.16","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 H2 Ag3 N9 O3 -","- C2 H2 Ag3 N9 O3 -","- C8 H8 Ag12 N36 O12 -","4","0.5","","Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming","Dancing with 5-substituted monotetrazoles, oxygen-rich ions, and silver: towards primary explosives with positive oxygen balance and excellent energetic performance","Journal of Materials Chemistry A","2019","7","9","4611","","10.1039/C8TA12506F","","","0.71073","MoKα","","0.0393","0.0275","","","0.0616","0.065","","","","","","1.089","","","","has coordinates","237535","2020-10-21","18:00:00",""
"7237261","12.5704","0.0007","6.5629","0.0004","13.3028","0.0007","90","","90.303","0.002","90","","1097.44","0.11","173","2","173","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C4 Ag5 N21 O11 -","- C4 Ag5 N21 O11 -","- C8 Ag10 N42 O22 -","2","1","","Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming","Dancing with 5-substituted monotetrazoles, oxygen-rich ions, and silver: towards primary explosives with positive oxygen balance and excellent energetic performance","Journal of Materials Chemistry A","2019","7","9","4611","","10.1039/C8TA12506F","","","0.71073","MoKα","","0.0435","0.0333","","","0.0616","0.0645","","","","","","1.056","","","","has coordinates,has disorder","237535","2020-10-21","18:00:00",""
"7237262","7.0494","0.0004","9.2238","0.0005","9.4011","0.0005","93.3","0.002","97.259","0.002","105.496","0.002","581.67","0.06","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C4 H8 Ag7 N23 O9 -","- C4 H8 Ag7 N23 O9 -","- C4 H8 Ag7 N23 O9 -","1","1","","Sun, Qi; Li, Xin; Lin, Qiuhan; Lu, Ming","Dancing with 5-substituted monotetrazoles, oxygen-rich ions, and silver: towards primary explosives with positive oxygen balance and excellent energetic performance","Journal of Materials Chemistry A","2019","7","9","4611","","10.1039/C8TA12506F","","","0.71073","MoKα","","0.0747","0.0623","","","0.1729","0.1799","","","","","","1.165","","","","has coordinates,has disorder","237535","2020-10-21","18:00:00",""
"7237269","24.696","0.002","8.3538","0.0006","16.7962","0.0014","90","","125.219","0.002","90","","2830.9","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H20 N4 O12 Zn2 -","- C30 H20 N4 O12 Zn2 -","- C120 H80 N16 O48 Zn8 -","4","0.5","","Zhang, Gaobin; Zhao, Yanfei; Peng, Bo; Li, Zheng; Xu, Chenchen; Liu, Yi; Zhang, Chengwu; Voelcker, Nicolas H.; Li, Lin; Huang, Wei","A fluorogenic probe based on chelation–hydrolysis-enhancement mechanism for visualizing Zn2+ in Parkinson's disease models","Journal of Materials Chemistry B","2019","7","14","2252","","10.1039/C8TB03343A","","","0.71073","MoKα","","0.0402","0.0312","","","0.0706","0.0747","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237457","10.946","0.002","22.138","0.004","14.603","0.003","90","","109.77","0.03","90","","3330.1","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H56 Mo8 N8 O30 -","- C56 H56 Mo8 N8 O30 -","- C112 H112 Mo16 N16 O60 -","2","0.5","","Li, Li; Wang, Jun-Ren; Hua, Yang; Guo, Yu; Fu, Chen; Sun, Ya-Nan; Zhang, Hong","“Reversible” photochromism of polyoxomolybdate–viologen hybrids without the need for proton transfer","Journal of Materials Chemistry C","2019","7","1","38","","10.1039/C8TC03172J","","","0.71073","MoKα","","0.0562","0.0371","","","0.0636","0.0692","","","","","","1.13","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237458","10.6571","0.0006","11.0273","0.0006","13.8362","0.0007","73.772","0.002","75.933","0.002","64.238","0.002","1392.09","0.13","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H44 Mo8 N8 O28 -","- C44 H44 Mo8 N8 O28 -","- C44 H44 Mo8 N8 O28 -","1","0.5","","Li, Li; Wang, Jun-Ren; Hua, Yang; Guo, Yu; Fu, Chen; Sun, Ya-Nan; Zhang, Hong","“Reversible” photochromism of polyoxomolybdate–viologen hybrids without the need for proton transfer","Journal of Materials Chemistry C","2019","7","1","38","","10.1039/C8TC03172J","","","0.71073","MoKα","","0.0347","0.0243","","","0.0526","0.0567","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237471","22.0069","0.0018","13.8971","0.0008","16.1662","0.0012","90","","97.63","0.007","90","","4900.4","0.6","273","0.1","110","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H41.25 Co5 N22 O22.75 -","- C24 H35.3 Co5 N22 O22.65 -","- C96 H141.2 Co20 N88 O90.6 -","4","0.5","","Liu, Zhong-Yi; Zhao, Hong; Song, Wei-Chao; Wang, Xiu-Guang; Liu, Zheng-Yu; Zhao, Xiao-Jun; Yang, En-Cui","A dynamic microporous magnet exhibiting room-temperature thermal hysteresis, variable magnetic ordering temperatures and highly selective adsorption for CO2","Journal of Materials Chemistry C","2019","7","2","218","","10.1039/C8TC03356K","","x-ray","0.71073","MoKα","","0.0916","0.0662","","","0.1322","0.1403","","","","","","1.169","","","","has coordinates,has disorder","237689","2020-10-21","18:00:00",""
"7237472","22.034","0.0005","13.5207","0.0003","16.9997","0.0004","90","","97.99","0.002","90","","5015.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 Co2.5 N11 O6.5 -","- C12 H11 Co2.5 N11 O6.5 -","- C96 H88 Co20 N88 O52 -","8","1","","Liu, Zhong-Yi; Zhao, Hong; Song, Wei-Chao; Wang, Xiu-Guang; Liu, Zheng-Yu; Zhao, Xiao-Jun; Yang, En-Cui","A dynamic microporous magnet exhibiting room-temperature thermal hysteresis, variable magnetic ordering temperatures and highly selective adsorption for CO2","Journal of Materials Chemistry C","2019","7","2","218","","10.1039/C8TC03356K","","x-ray","1.54184","CuKα","","0.0808","0.0575","","","0.1463","0.1561","","","","","","1.032","","","","has coordinates","237689","2020-10-21","18:00:00",""
"7237473","22.241","0.003","13.4188","0.0013","17.268","0.002","90","","99.282","0.011","90","","5086.1","1","383","0.1","383","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Co5 N22 O12 -","- C24 H20 Co5 N22 O12 -","- C96 H80 Co20 N88 O48 -","4","0.5","","Liu, Zhong-Yi; Zhao, Hong; Song, Wei-Chao; Wang, Xiu-Guang; Liu, Zheng-Yu; Zhao, Xiao-Jun; Yang, En-Cui","A dynamic microporous magnet exhibiting room-temperature thermal hysteresis, variable magnetic ordering temperatures and highly selective adsorption for CO2","Journal of Materials Chemistry C","2019","7","2","218","","10.1039/C8TC03356K","","x-ray","0.71073","MoKα","","0.1108","0.0619","","","0.1231","0.1493","","","","","","0.971","","","","has coordinates","237689","2020-10-21","18:00:00",""
"7237521","34.8","0.03","7.324","0.006","12.467","0.011","90","","96.174","0.014","90","","3159","5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C144 H152 N24 O8 -","8","2","","Hao, Yunhui; Huang, Shuai; Guo, Yanmei; Zhou, Lina; Hao, Hongxun; Barrett, Christopher J.; Yu, Haifeng","Photoinduced multi-directional deformation of azobenzene molecular crystals","Journal of Materials Chemistry C","2019","7","3","503","","10.1039/C8TC04631J","","","0.71073","MoKα","","0.1426","0.0802","","","0.2096","0.2635","","","","","","1.035","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237529","7.175","0.0006","18.3221","0.0016","33.824","0.003","90","","91.414","0.002","90","","4445.2","0.7","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H45.71 Cl1.29 N3 O4.36 -","- C57 H45.716 Cl1.284 N3 O4.358 -","- C228 H182.864 Cl5.136 N12 O17.432 -","4","1","","Huang, Jian; Xu, Zeng; Cai, Zheyi; Guo, Jingjing; Guo, Jiali; Shen, Pingchuan; Wang, Zhiming; Zhao, Zujin; Ma, Dongge; Tang, Ben Zhong","Robust luminescent small molecules with aggregation-induced delayed fluorescence for efficient solution-processed OLEDs","Journal of Materials Chemistry C","2019","7","2","330","","10.1039/C8TC04842H","","","0.71073","MoKα","","0.154","0.0759","","","0.1265","0.1488","","","","","","1.036","","","","has coordinates,has disorder","237752","2020-10-21","18:00:00",""
"7237534","8.72","0.009","3.933","0.004","21.11","0.02","90","","100.603","0.013","90","","711.6","1.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C5 H4 Br2 Cu N -","- C5 H4 Br2 Cu N -","- C20 H16 Br8 Cu4 N4 -","4","1","","Liu, Wei; Banerjee, Debasis; Lin, Fang; Li, Jing","Strongly luminescent inorganic‒organic hybrid semiconductors with tunable white light emissions by doping","Journal of Materials Chemistry C","2019","7","6","1484","","10.1039/C8TC05020A","","","0.71073","MoKα","","0.0608","0.0479","","","0.1207","0.1269","","","","","","1.067","","","","has coordinates","237755","2020-10-21","18:00:00",""
"7237535","8.7438","0.0019","3.9296","0.0009","21.002","0.005","90","","100.837","0.003","90","","708.8","0.3","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H4 Br Cl Cu N -","- C5 H4 Br Cl Cu N -","- C20 H16 Br4 Cl4 Cu4 N4 -","4","1","","Liu, Wei; Banerjee, Debasis; Lin, Fang; Li, Jing","Strongly luminescent inorganic‒organic hybrid semiconductors with tunable white light emissions by doping","Journal of Materials Chemistry C","2019","7","6","1484","","10.1039/C8TC05020A","","","0.71073","MoKα","","0.0382","0.0306","","","0.0817","0.0852","","","","","","1.04","","","","has coordinates","237755","2020-10-21","18:00:00",""
"7237536","13.91","0.017","15.111","0.018","8.107","0.01","90","","99.455","0.017","90","","1681","4","298","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H9 Br Cu N -","- C7 H9 Br Cu N -","- C56 H72 Br8 Cu8 N8 -","8","1","","Liu, Wei; Banerjee, Debasis; Lin, Fang; Li, Jing","Strongly luminescent inorganic‒organic hybrid semiconductors with tunable white light emissions by doping","Journal of Materials Chemistry C","2019","7","6","1484","","10.1039/C8TC05020A","","","0.71073","MoKα","","0.0614","0.0396","","","0.0973","0.1107","","","","","","0.984","","","","has coordinates","237755","2020-10-21","18:00:00",""
"7237538","10.97","0.005","12.704","0.004","7.754","0.003","90","","101.29","0.03","90","","1059.7","0.7","298","","298","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H12 N4 S3 -","- C24 H12 N4 S3 -","- C48 H24 N8 S6 -","2","0.5","","Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko","Asymmetrical hole/electron transport in donor‒acceptor mixed-stack cocrystals","Journal of Materials Chemistry C","2019","7","3","567","","10.1039/C8TC05190A","","","0.71069","MoKα","","0.1178","0.0431","","","0.0972","0.123","","","","","","0.975","","","","has coordinates,has disorder","237757","2020-10-21","18:00:00",""
"7237539","7.861","0.004","8.89","0.003","10.291","0.008","109.6","0.04","109.29","0.05","98","0.04","613.7","0.7","297","","297","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H14 N4 S4 -","- C28 H14 N4 S4 -","- C28 H14 N4 S4 -","1","0.5","","Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko","Asymmetrical hole/electron transport in donor–acceptor mixed-stack cocrystals","Journal of Materials Chemistry C","2019","7","3","567","","10.1039/C8TC05190A","","","0.71069","MoKα","","0.1761","0.0624","","","0.153","0.1952","","","","","","0.999","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237540","9.092","0.005","9.151","0.004","10.403","0.006","90.88","0.05","129.5","0.04","104.63","0.04","628","0.8","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H10 F4 N4 S4 -","- C28 H10 F4 N4 S4 -","- C28 H10 F4 N4 S4 -","1","0.5","","Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko","Asymmetrical hole/electron transport in donor–acceptor mixed-stack cocrystals","Journal of Materials Chemistry C","2019","7","3","567","","10.1039/C8TC05190A","","","0.71069","MoKα","","0.1817","0.092","","","0.2479","0.3086","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237541","7.9104","0.0005","8.8995","0.0006","10.3989","0.0007","109.866","0.003","109.641","0.003","97.879","0.004","621.8","0.08","270","","270","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H12 F2 N4 S4 -","- C28 H12 F2 N4 S4 -","- C28 H12 F2 N4 S4 -","1","0.5","","Sato, Ryonosuke; Kawamoto, Tadashi; Mori, Takehiko","Asymmetrical hole/electron transport in donor–acceptor mixed-stack cocrystals","Journal of Materials Chemistry C","2019","7","3","567","","10.1039/C8TC05190A","","","1.54187","CuKα","","0.1284","0.103","","","0.2908","0.3315","","","","","","1.096","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237542","6.8569","0.0012","16.734","0.002","7.414","0.0016","90","","90","","90","","850.7","0.3","294","2","294","2","","","","","","","","4","P n c 2","P 2 -2bc","30","","16,20-dinitro-(3,4;8,9)-dibenzo-2,7-dioxa-5,10-diaza[4.4.4]propellane","","- C18 H16 N4 O6 -","- C18 H16 N4 O6 -","- C36 H32 N8 O12 -","2","0.5","","Miniewicz, Andrzej; Bartkiewicz, Stanislaw; Wojaczynska, Elzbieta; Galica, Tomasz; Zalesny, Robert; Jakubas, Ryszard","Second harmonic generation in nonlinear optical crystals formed from propellane-type molecules","Journal of Materials Chemistry C","2019","7","5","1255","","10.1039/C8TC05268A","","","0.71073","MoKα","","0.183","0.0464","","","0.0655","0.0866","","","","","","0.732","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237543","15.9149","0.0011","20.675","0.0017","15.4852","0.001","90","","95.735","0.005","90","","5069.8","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 I N2 -","- C27 H33 I N2 -","- C216 H264 I8 N16 -","8","2","","Gesevičius, Donatas; Neels, Antonia; Duchêne, Léo; Hack, Erwin; Heier, Jakob; Nüesch, Frank","Physical vapour deposition of cyanine salts and their first application in organic electronic devices","Journal of Materials Chemistry C","2019","7","2","414","","10.1039/C8TC05286G","","","0.71073","MoKα","","0.0563","0.0409","","","0.0975","0.1107","","","","","","1.054","","","","has coordinates,has disorder","237760","2020-10-21","18:00:00",""
"7237544","10.2584","0.0004","16.0405","0.0005","18.8625","0.0008","90","","90","","90","","3103.8","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H33 F6 N3 O4 S2 -","- C29 H33 F6 N3 O4 S2 -","- C116 H132 F24 N12 O16 S8 -","4","1","","Gesevičius, Donatas; Neels, Antonia; Duchêne, Léo; Hack, Erwin; Heier, Jakob; Nüesch, Frank","Physical vapour deposition of cyanine salts and their first application in organic electronic devices","Journal of Materials Chemistry C","2019","7","2","414","","10.1039/C8TC05286G","","","0.71073","MoKα","","0.0434","0.0387","","","0.1007","0.1072","","","","","","1.062","","","","has coordinates,has disorder","237760","2020-10-21","18:00:00",""
"7237545","7.5411","0.0003","14.0447","0.0005","22.0416","0.0009","90","","90","","90","","2334.48","0.16","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-Bis(2-methyl-5-phenyl-3-thienyl)tetrafluorobenzene","","- C28 H18 F4 S2 -","- C28 H18 F4 S2 -","- C112 H72 F16 S8 -","4","1","","Kitagawa, Daichi; Nakahama, Tatsumoto; Nakai, Yoshihiro; Kobatake, Seiya","1,2-Diarylbenzene as fast T-type photochromic switch","Journal of Materials Chemistry C","2019","7","10","2865","","10.1039/C8TC05357J","","","0.71075","MoKα","","0.0406","0.0372","","","0.0875","0.0909","","","","","","1.066","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237546","8.8292","0.0005","13.3483","0.0008","38.144","0.002","100.3","0.003","90.396","0.003","104.379","0.003","4278.2","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","[Fe12i(C22)(bpea)]n","","","- C74 H118 Fe N4 O8 -","- C74 H118 Fe N4 O8 -","- C148 H236 Fe2 N8 O16 -","2","1","","Weihermüller, Johannes; Schlamp, Stephan; Milius, Wolfgang; Puchtler, Florian; Breu, Josef; Ramming, Philipp; Hüttner, Sven; Agarwal, Seema; Göbel, Christoph; Hund, Markus; Papastavrou, Georg; Weber, Birgit","Amphiphilic iron(ii) spin crossover coordination polymers: crystal structures and phase transition properties","Journal of Materials Chemistry C","2019","7","5","1151","","10.1039/C8TC05580G","","","0.71073","MoKα","","0.1549","0.0757","","","0.1711","0.1952","","","","","","1.003","","","","has coordinates","237763","2020-10-21","18:00:00",""
"7237547","8.1994","0.0006","10.9932","0.0008","35.441","0.002","87.909","0.005","84.165","0.005","68.887","0.005","2964.7","0.4","133","2","133","2","","","","","","","","5","P -1","-P 1","2","[FeL12i(C20)(MeOH)2]","","","- C60 H106 Fe N2 O10 -","- C60 H106 Fe N2 O10 -","- C120 H212 Fe2 N4 O20 -","2","1","","Weihermüller, Johannes; Schlamp, Stephan; Milius, Wolfgang; Puchtler, Florian; Breu, Josef; Ramming, Philipp; Hüttner, Sven; Agarwal, Seema; Göbel, Christoph; Hund, Markus; Papastavrou, Georg; Weber, Birgit","Amphiphilic iron(ii) spin crossover coordination polymers: crystal structures and phase transition properties","Journal of Materials Chemistry C","2019","7","5","1151","","10.1039/C8TC05580G","","","0.71073","MoKα","","0.1714","0.0919","","","0.2127","0.2604","","","","","","0.882","","","","has coordinates","237764","2020-10-21","18:00:00",""
"7237548","8.933","0.0006","13.125","0.001","35.302","0.003","85.974","0.006","85.177","0.006","73.555","0.006","3951","0.5","133","2","133","2","","","","","","","","5","P -1","-P 1","2","[FeL(C22)bpey]n","","","- C81 H122 Fe N4 O8 -","- C81 H122 Fe N4 O8 -","- C162 H244 Fe2 N8 O16 -","2","1","","Weihermüller, Johannes; Schlamp, Stephan; Milius, Wolfgang; Puchtler, Florian; Breu, Josef; Ramming, Philipp; Hüttner, Sven; Agarwal, Seema; Göbel, Christoph; Hund, Markus; Papastavrou, Georg; Weber, Birgit","Amphiphilic iron(ii) spin crossover coordination polymers: crystal structures and phase transition properties","Journal of Materials Chemistry C","2019","7","5","1151","","10.1039/C8TC05580G","","","0.71069","MoKα","","0.2631","0.1706","","","0.3967","0.4733","","","","","","1.283","","","","has coordinates","237765","2020-10-21","18:00:00",""
"7237549","9.4321","0.0018","11.805","0.002","12.282","0.002","94.069","0.004","90.556","0.004","101.72","0.003","1335.3","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H46 N4 -","- C52 H46 N4 -","- C52 H46 N4 -","1","0.5","","Tao, Tao; Gan, Yitao; Zhao, Yunxia; Yu, Jianghua; Huang, Qiong; Yang, Zhen; Chen, Mindong; Huang, Wei","Triphenylethylene-based biimidazoles showing preferable detection of explosives and their rhenium complexes undergoing chiral and cis–trans transformations","Journal of Materials Chemistry C","2019","7","13","3765","","10.1039/C8TC05583A","","","0.71073","MoKα","","0.1464","0.1246","","","0.3233","0.347","","","","","","0.997","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237550","24.9354","0.0012","10.9203","0.0006","20.933","0.0012","90","","101.717","0.001","90","","5581.3","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H48 Cl7 N4 O3 Re -","- C57 H48 Cl7 N4 O3 Re -","- C228 H192 Cl28 N16 O12 Re4 -","4","0.5","","Tao, Tao; Gan, Yitao; Zhao, Yunxia; Yu, Jianghua; Huang, Qiong; Yang, Zhen; Chen, Mindong; Huang, Wei","Triphenylethylene-based biimidazoles showing preferable detection of explosives and their rhenium complexes undergoing chiral and cis‒trans transformations","Journal of Materials Chemistry C","2019","7","13","3765","","10.1039/C8TC05583A","","","0.71073","MoKα","","0.0357","0.0315","","","0.0803","0.0823","","","","","","1.101","","","","has coordinates,has disorder","237766","2020-10-21","18:00:00",""
"7237551","17.738","0.018","5.738","0.006","16.944","0.016","90","","93.92","0.02","90","","1721","3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H16 F10 O4 S2 -","- C40 H16 F10 O4 S2 -","- C80 H32 F20 O8 S4 -","2","0.5","","Mullin, William J.; Pawle, Robert H.; Sharber, Seth A.; Müller, Peter; Thomas, Samuel W.","Programmed twisting of phenylene–ethynylene linkages from aromatic stacking interactions","Journal of Materials Chemistry C","2019","7","5","1198","","10.1039/C8TC05612A","","","0.71073","MoKα","","0.0896","0.0729","","","0.2434","0.2683","","","","","","1.216","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237552","7.507","0.002","7.869","0.002","16.68","0.005","98.558","0.006","99.414","0.006","106.779","0.006","910.4","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H20 F10 O4 -","- C46 H20 F10 O4 -","- C46 H20 F10 O4 -","1","0.5","","Mullin, William J.; Pawle, Robert H.; Sharber, Seth A.; Müller, Peter; Thomas, Samuel W.","Programmed twisting of phenylene–ethynylene linkages from aromatic stacking interactions","Journal of Materials Chemistry C","2019","7","5","1198","","10.1039/C8TC05612A","","","0.71073","MoKα","","0.0865","0.0582","","","0.1584","0.1849","","","","","","1.062","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237553","8.224","0.004","10.029","0.005","13.383","0.007","79.95","0.04","77.865","0.019","88.186","0.019","1062.6","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H22 Cl6 F10 O4 -","- C45.998 H21.998 Cl5.994 F10 O4 -","- C45.998 H21.998 Cl5.994 F10 O4 -","1","0.5","","Mullin, William J.; Pawle, Robert H.; Sharber, Seth A.; Müller, Peter; Thomas, Samuel W.","Programmed twisting of phenylene‒ethynylene linkages from aromatic stacking interactions","Journal of Materials Chemistry C","2019","7","5","1198","","10.1039/C8TC05612A","","","0.71073","MoKα","","0.0443","0.0414","","","0.1049","0.1068","","","","","","1.091","","","","has coordinates,has disorder","237768","2020-10-21","18:00:00",""
"7237554","11.3978","0.0011","13.2721","0.0012","14.4774","0.0014","108.224","0.002","95.725","0.002","115.411","0.002","1807.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H24 F10 O4 -","- C47 H24 F10 O4 -","- C94 H48 F20 O8 -","2","1","","Mullin, William J.; Pawle, Robert H.; Sharber, Seth A.; Müller, Peter; Thomas, Samuel W.","Programmed twisting of phenylene–ethynylene linkages from aromatic stacking interactions","Journal of Materials Chemistry C","2019","7","5","1198","","10.1039/C8TC05612A","","","0.71073","MoKα","","0.0777","0.0491","","","0.1212","0.1427","","","","","","1.053","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237555","8.7395","0.0008","9.8","0.0009","32.564","0.003","89.928","0.002","86.471","0.002","89.982","0.002","2783.7","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H26 O4 -","- C38 H26 O4 -","- C152 H104 O16 -","4","2","","Mullin, William J.; Pawle, Robert H.; Sharber, Seth A.; Müller, Peter; Thomas, Samuel W.","Programmed twisting of phenylene–ethynylene linkages from aromatic stacking interactions","Journal of Materials Chemistry C","2019","7","5","1198","","10.1039/C8TC05612A","","","0.71073","MoKα","","0.0596","0.0414","","","0.1074","0.1203","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237556","7.8623","0.0004","10.4103","0.0006","19.6258","0.0011","77.823","0.001","80.487","0.001","78.409","0.001","1525.47","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H16 F10 O4 -","- C38 H16 F10 O4 -","- C76 H32 F20 O8 -","2","1","","Mullin, William J.; Pawle, Robert H.; Sharber, Seth A.; Müller, Peter; Thomas, Samuel W.","Programmed twisting of phenylene–ethynylene linkages from aromatic stacking interactions","Journal of Materials Chemistry C","2019","7","5","1198","","10.1039/C8TC05612A","","","0.71073","MoKα","","0.1116","0.0632","","","0.1445","0.1695","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237557","8.1455","0.0007","9.8705","0.0008","23.767","0.002","80.595","0.002","84.255","0.002","88.725","0.003","1875.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46.84 H30.84 Cl2.52 O4 -","- C46.841 H30.841 Cl2.523 O4 -","- C93.682 H61.682 Cl5.046 O8 -","2","1","","Mullin, William J.; Pawle, Robert H.; Sharber, Seth A.; Müller, Peter; Thomas, Samuel W.","Programmed twisting of phenylene‒ethynylene linkages from aromatic stacking interactions","Journal of Materials Chemistry C","2019","7","5","1198","","10.1039/C8TC05612A","","","0.71073","MoKα","","0.0924","0.0548","","","0.1337","0.1523","","","","","","1.022","","","","has coordinates,has disorder","237768","2020-10-21","18:00:00",""
"7237558","12.0511","0.0011","12.6535","0.0011","14.0972","0.0012","68.452","0.002","76.554","0.002","74.515","0.002","1905","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H28 F10 O4 -","- C48 H28 F10 O4 -","- C96 H56 F20 O8 -","2","1","","Mullin, William J.; Pawle, Robert H.; Sharber, Seth A.; Müller, Peter; Thomas, Samuel W.","Programmed twisting of phenylene–ethynylene linkages from aromatic stacking interactions","Journal of Materials Chemistry C","2019","7","5","1198","","10.1039/C8TC05612A","","","0.71073","MoKα","","0.0869","0.0532","","","0.1304","0.1506","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237559","13.2155","0.001","9.1259","0.0007","15.7624","0.0012","90","","90.357","0.003","90","","1901","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H32 F10 O6 -","- C46 H32 F10 O6 -","- C92 H64 F20 O12 -","2","0.5","","Mullin, William J.; Pawle, Robert H.; Sharber, Seth A.; Müller, Peter; Thomas, Samuel W.","Programmed twisting of phenylene–ethynylene linkages from aromatic stacking interactions","Journal of Materials Chemistry C","2019","7","5","1198","","10.1039/C8TC05612A","","","0.71073","MoKα","","0.049","0.0412","","","0.1105","0.1174","","","","","","1.067","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237560","26.526","0.002","26.526","0.002","11.595","0.002","90","","90","","120","","7065.5","1.4","293","2","293","2","","","","","","","","7","P 3","P 3","143","","","","- C264 H289 Mn6 N42 O43 P Ru6 -","- C264 H289 Mn6 N42 O43 P Ru6 -","- C264 H289 Mn6 N42 O43 P Ru6 -","1","0.333333","","Zhang, Daopeng; Cano, Joan; Lan, Wenlong; Liu, Hui; Sun, Fenggang; Dong, Yunhui; Zhou, Zhen; Yang, Lu; Liu, Qingyun; Jiang, Jianzhuang","Unconventional dihydrogen-bond interaction induced cyanide-bridged chiral nano-sized magnetic molecular wheel: synthesis, crystal structure and systematic theoretical magnetism investigation","Journal of Materials Chemistry C","2019","7","12","3623","","10.1039/C8TC05650A","","","0.71073","MoKα","","0.1197","0.0687","","","0.1585","0.2055","","","","","","1.027","","","","has coordinates","237771","2020-10-21","18:00:00",""
"7237561","11.047","0.002","15.964","0.003","21.775","0.004","83.03","0.03","81.84","0.03","77.02","0.03","3688.1","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Tris[2-(4-methyl-2-quinolinyl)-3-thienyl-]iridium (III)","Tris[2-(4-methyl-2-quinolinyl)-3-thienyl-]iridium (III)","","- C40 H30 Cl2 Ir N6 S3 -","- C43 H30 Cl2 Ir N3 S3 -","- C172 H120 Cl8 Ir4 N12 S12 -","4","2","","Russell, Steven M.; Brewer, Anthony M.; Stoltzfus, Dani M.; Saghaei, Jaber; Burn, Paul L.","Organic light-emitting diodes comprising highly luminescent red-emitting dendrimers with carbazole-based dendrons","Journal of Materials Chemistry C","2019","7","16","4681","","10.1039/C8TC05703F","","","0.7108","Synchrotron","","0.0409","0.0365","","","0.0885","0.0915","","","","","","1.056","","","","has coordinates,has disorder","237773","2020-10-21","18:00:00",""
"7237562","17.712","0.003","17.712","0.003","17.804","0.004","90","","90","","120","","4837.1","1.6","100","2","100","2","","","","","","","","7","P -3 c 1","-P 3 2""c","165","Tris[2-(4-(4-bromophenyl)-2-quinolinyl)-3-thienyl-]iridium (III)","Tris[2-(4-(4-bromophenyl)-2-quinolinyl)-3-thienyl-]iridium (III)","","- C57 H33 Br3 Ir N3 O0.17 S3 -","- C57 H33 Br3 Ir N3 O0.1667 S3 -","- C228 H132 Br12 Ir4 N12 O0.6668 S12 -","4","0.333333","","Russell, Steven M.; Brewer, Anthony M.; Stoltzfus, Dani M.; Saghaei, Jaber; Burn, Paul L.","Organic light-emitting diodes comprising highly luminescent red-emitting dendrimers with carbazole-based dendrons","Journal of Materials Chemistry C","2019","7","16","4681","","10.1039/C8TC05703F","","","0.7108","synchrotron","","0.0595","0.0468","","","0.1277","0.1371","","","","","","1.042","","","","has coordinates","237773","2020-10-21","18:00:00",""
"7237563","11.288","0.002","13.007","0.003","14.445","0.003","99.21","0.03","92.61","0.03","97.05","0.03","2073.1","0.8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Tris[5-bromo-2-(4-methyl-2-quinolinyl)-3-thienyl]iridium (III)","Tris[5-bromo-2-(4-methyl-2-quinolinyl)-3-thienyl]iridium (III)","","- C43 H27 Br3 Cl1.82 Ir N3 S3 -","- C43 H27 Br3 Cl1.827 Ir N3 S3 -","- C86 H54 Br6 Cl3.654 Ir2 N6 S6 -","2","1","","Russell, Steven M.; Brewer, Anthony M.; Stoltzfus, Dani M.; Saghaei, Jaber; Burn, Paul L.","Organic light-emitting diodes comprising highly luminescent red-emitting dendrimers with carbazole-based dendrons","Journal of Materials Chemistry C","2019","7","16","4681","","10.1039/C8TC05703F","","","0.7108","synchrotron","","0.0391","0.0366","","","0.0964","0.0982","","","","","","1.037","","","","has coordinates,has disorder","237773","2020-10-21","18:00:00",""
"7237564","10.654","0.002","11.667","0.002","14.179","0.003","91.75","0.03","103.13","0.03","103.6","0.03","1661.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Tris[2-(4-methyl-2-quinolinyl)-3-thienyl-]iridium(III)","","- C42 H30 Ir N3 S3 -","- C42 H30 Ir N3 S3 -","- C84 H60 Ir2 N6 S6 -","2","1","","Russell, Steven M.; Brewer, Anthony M.; Stoltzfus, Dani M.; Saghaei, Jaber; Burn, Paul L.","Organic light-emitting diodes comprising highly luminescent red-emitting dendrimers with carbazole-based dendrons","Journal of Materials Chemistry C","2019","7","16","4681","","10.1039/C8TC05703F","","","0.7108","Synchrotron","","0.028","0.0273","","","0.081","0.0817","","","","","","1.135","","","","has coordinates","237773","2020-10-21","18:00:00",""
"7237565","33.7852","0.0009","9.1188","0.0002","8.659","0.0003","90","","95.866","0.003","90","","2653.7","0.13","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 N0.67 -","- C13 H8 N0.666667 -","- C156 H96 N8 -","12","3","","Liu, Wei; Ying, Shian; Guo, Runda; Qiao, Xianfeng; Leng, Panpan; Zhang, Qing; Wang, Yaxiong; Ma, Dongge; Wang, Lei","Nondoped blue fluorescent organic light-emitting diodes based on benzonitrile-anthracene derivative with 10.06% external quantum efficiency and low efficiency roll-off","Journal of Materials Chemistry C","2019","7","4","1014","","10.1039/C8TC05707A","","x-ray","1.54184","CuKα","","0.064","0.0515","","","0.1452","0.158","","","","","","1.091","","","","has coordinates","237775","2020-10-21","18:00:00",""
"7237566","7.4203","0.0002","13.3663","0.0003","14.5908","0.0004","96.694","0.002","97.32","0.002","98.178","0.002","1407.32","0.06","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C13 H8 N0.67 -","- C13 H8 N0.666667 -","- C78 H48 N4 -","6","3","","Liu, Wei; Ying, Shian; Guo, Runda; Qiao, Xianfeng; Leng, Panpan; Zhang, Qing; Wang, Yaxiong; Ma, Dongge; Wang, Lei","Nondoped blue fluorescent organic light-emitting diodes based on benzonitrile-anthracene derivative with 10.06% external quantum efficiency and low efficiency roll-off","Journal of Materials Chemistry C","2019","7","4","1014","","10.1039/C8TC05707A","","x-ray","1.54184","CuKα","","0.0555","0.0529","","","0.1387","0.1408","","","","","","1.039","","","","has coordinates","237775","2020-10-21","18:00:00",""
"7237567","9.18","0.0005","24.6758","0.0012","12.5032","0.0006","90","","102.385","0.0018","90","","2766.4","0.2","93","","93","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 -","- C40 H26 -","- C160 H104 -","4","1","","Pu, Yong-Jin; Satake, Rei; Koyama, Yuki; Otomo, Takahiro; Hayashi, Rika; Haruta, Naoki; Katagiri, Hiroshi; Otsuki, Daisuke; Kim, DaeGwi; Sato, Tohru","Absence of delayed fluorescence and triplet–triplet annihilation in organic light emitting diodes with spatially orthogonal bianthracenes","Journal of Materials Chemistry C","2019","7","9","2541","","10.1039/C8TC05817B","","","0.71075","MoKα","","0.052","0.043","","","0.1072","0.1134","","","","","","1.11","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237568","16.274","0.005","10.787","0.003","24.384","0.008","90","","90","","90","","4281","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H50 N2 O26 Zn3 -","- C32 H12 O18 Zn3 -","- C128 H48 O72 Zn12 -","4","0.5","","Li, Huijun; Li, Qingqing; Xu, Zhouqing","Lanthanide cation encapsulated in a metal‒organic framework as a white LED and selective naked-eye reversible HCl sensor","Journal of Materials Chemistry C","2019","7","10","2880","","10.1039/C8TC05956J","","","0.71073","MoKα","","0.0896","0.0427","","","0.0968","0.1092","","","","","","0.776","","","","has coordinates","237779","2020-10-21","18:00:00",""
"7237569","6.043","0.003","11.817","0.006","12.667","0.007","110.247","0.005","94.315","0.006","103.043","0.005","815","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 N Nd O10 -","- C14 H12 N Nd O10 -","- C28 H24 N2 Nd2 O20 -","2","1","","Sun, Tiancheng; Wang, Ping; Fan, Ruiqing; Chen, Wei; Hao, Sue; Yang, Yulin","Functional microscale single-phase white emission lanthanide MOF for tunable fluorescent sensing and water quality monitoring","Journal of Materials Chemistry C","2019","7","12","3598","","10.1039/C8TC05968C","","","0.71073","MoKα","","0.0376","0.0342","","","0.0961","0.1059","","","","","","1.167","","","","has coordinates,has disorder","237781","2020-10-21","18:00:00",""
"7237570","5.9995","0.0008","11.778","0.0015","12.5839","0.0016","110.091","0.001","94.335","0.001","103.181","0.001","801.49","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Eu N O10 -","- C14 H12 Eu N O10 -","- C28 H24 Eu2 N2 O20 -","2","1","","Sun, Tiancheng; Wang, Ping; Fan, Ruiqing; Chen, Wei; Hao, Sue; Yang, Yulin","Functional microscale single-phase white emission lanthanide MOF for tunable fluorescent sensing and water quality monitoring","Journal of Materials Chemistry C","2019","7","12","3598","","10.1039/C8TC05968C","","","0.71073","MoKα","","0.035","0.0282","","","0.082","0.1042","","","","","","0.89","","","","has coordinates,has disorder","237781","2020-10-21","18:00:00",""
"7237571","6.006","0.003","11.758","0.007","12.603","0.007","110.141","0.006","94.201","0.007","102.98","0.006","803.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 N O10 Sm -","- C14 H12 N O10 Sm -","- C28 H24 N2 O20 Sm2 -","2","1","","Sun, Tiancheng; Wang, Ping; Fan, Ruiqing; Chen, Wei; Hao, Sue; Yang, Yulin","Functional microscale single-phase white emission lanthanide MOF for tunable fluorescent sensing and water quality monitoring","Journal of Materials Chemistry C","2019","7","12","3598","","10.1039/C8TC05968C","","","0.71073","MoKα","","0.0358","0.0297","","","0.082","0.1088","","","","","","1.295","","","","has coordinates,has disorder","237781","2020-10-21","18:00:00",""
"7237572","5.9791","0.0009","11.7581","0.0018","12.574","0.002","110.206","0.002","94.086","0.002","103.083","0.002","797.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Gd N O10 -","- C14 H12 Gd N O10 -","- C28 H24 Gd2 N2 O20 -","2","1","","Sun, Tiancheng; Wang, Ping; Fan, Ruiqing; Chen, Wei; Hao, Sue; Yang, Yulin","Functional microscale single-phase white emission lanthanide MOF for tunable fluorescent sensing and water quality monitoring","Journal of Materials Chemistry C","2019","7","12","3598","","10.1039/C8TC05968C","","","0.71073","MoKα","","0.0371","0.0302","","","0.076","0.0787","","","","","","0.883","","","","has coordinates,has disorder","237781","2020-10-21","18:00:00",""
"7237573","5.9552","0.001","11.78","0.002","12.542","0.002","110.04","0.002","94.431","0.002","103.214","0.002","793","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Dy N O10 -","- C14 H12 Dy N O10 -","- C28 H24 Dy2 N2 O20 -","2","1","","Sun, Tiancheng; Wang, Ping; Fan, Ruiqing; Chen, Wei; Hao, Sue; Yang, Yulin","Functional microscale single-phase white emission lanthanide MOF for tunable fluorescent sensing and water quality monitoring","Journal of Materials Chemistry C","2019","7","12","3598","","10.1039/C8TC05968C","","","0.71073","MoKα","","0.0363","0.0277","","","0.0799","0.0994","","","","","","0.831","","","","has coordinates,has disorder","237781","2020-10-21","18:00:00",""
"7237574","5.9619","0.0019","11.757","0.004","12.566","0.004","110.209","0.004","94.073","0.004","103.086","0.003","794.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 N O10 Tb -","- C14 H12 N O10 Tb -","- C28 H24 N2 O20 Tb2 -","2","1","","Sun, Tiancheng; Wang, Ping; Fan, Ruiqing; Chen, Wei; Hao, Sue; Yang, Yulin","Functional microscale single-phase white emission lanthanide MOF for tunable fluorescent sensing and water quality monitoring","Journal of Materials Chemistry C","2019","7","12","3598","","10.1039/C8TC05968C","","","0.71073","MoKα","","0.031","0.0253","","","0.0675","0.0888","","","","","","1.268","","","","has coordinates,has disorder","237781","2020-10-21","18:00:00",""
"7237575","15.012","0.002","16.24","0.002","20.022","0.003","97.891","0.003","90.762","0.003","115.608","0.003","4345.7","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H48 F24 Ir2 N14 O2 -","- C88 H48 F24 Ir2 N14 O2 -","- C176 H96 F48 Ir4 N28 O4 -","2","1","","Lu, Guang-Zhao; Liu, Liang; Tu, Zhen-Long; Zhou, Yong-Hui; Zheng, You-Xuan","Two green iridium(iii) complexes containing the electron-transporting group of 4-phenyl-4H-1,2,4-triazole for highly efficient OLEDs","Journal of Materials Chemistry C","2019","7","7","2022","","10.1039/C8TC06010J","","","0.71073","MoKα","","0.0964","0.0615","","","0.1585","0.1851","","","","","","1.034","","","","has coordinates,has disorder","237783","2020-10-21","18:00:00",""
"7237576","13.884","0.003","24.698","0.005","12.797","0.002","90","","112.167","0.003","90","","4063.8","1.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H24 F12 Ir N7 O -","- C44 H24 F12 Ir N7 O -","- C176 H96 F48 Ir4 N28 O4 -","4","1","","Lu, Guang-Zhao; Liu, Liang; Tu, Zhen-Long; Zhou, Yong-Hui; Zheng, You-Xuan","Two green iridium(iii) complexes containing the electron-transporting group of 4-phenyl-4H-1,2,4-triazole for highly efficient OLEDs","Journal of Materials Chemistry C","2019","7","7","2022","","10.1039/C8TC06010J","","","0.71073","MoKα","","0.0591","0.0502","","","0.1213","0.1383","","","","","","0.979","","","","has coordinates,has disorder","237783","2020-10-21","18:00:00",""
"7237577","13.8029","0.0004","9.9367","0.0002","16.9651","0.0005","90","","107.887","0.003","90","","2214.38","0.11","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H21 N O S -","- C31 H21 N O S -","- C124 H84 N4 O4 S4 -","4","1","","Xie, Zongliang; Su, Tongtong; Ubba, Eethamukkala; Deng, Huangjun; Mao, Zhu; Yu, Tao; Zheng, Ting; Zhang, Yi; Liu, Siwei; Chi, Zhenguo","Achieving tunable dual-emissive and high-contrast mechanochromic materials by manipulating steric hindrance effects","Journal of Materials Chemistry C","2019","7","11","3300","","10.1039/C8TC06039H","","x-ray","1.54184","CuKα","","0.0443","0.0399","","","0.111","0.1158","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237578","8.8797","0.0012","11.1418","0.0016","13.7638","0.0011","107.046","0.01","93.45","0.009","94.833","0.012","1292.1","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H23 N O S -","- C35 H23 N O S -","- C70 H46 N2 O2 S2 -","2","1","","Xie, Zongliang; Su, Tongtong; Ubba, Eethamukkala; Deng, Huangjun; Mao, Zhu; Yu, Tao; Zheng, Ting; Zhang, Yi; Liu, Siwei; Chi, Zhenguo","Achieving tunable dual-emissive and high-contrast mechanochromic materials by manipulating steric hindrance effects","Journal of Materials Chemistry C","2019","7","11","3300","","10.1039/C8TC06039H","","","1.54184","CuKα","","0.1032","0.0719","","","0.1941","0.2313","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237579","9.9399","0.0003","10.4405","0.0003","16.8221","0.0005","100.704","0.003","97.491","0.003","107.87","0.003","1599.52","0.09","149.99","0.1","149.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H27 Cl2 N O S -","- C42 H27 Cl2 N O S -","- C84 H54 Cl4 N2 O2 S2 -","2","1","","Xie, Zongliang; Su, Tongtong; Ubba, Eethamukkala; Deng, Huangjun; Mao, Zhu; Yu, Tao; Zheng, Ting; Zhang, Yi; Liu, Siwei; Chi, Zhenguo","Achieving tunable dual-emissive and high-contrast mechanochromic materials by manipulating steric hindrance effects","Journal of Materials Chemistry C","2019","7","11","3300","","10.1039/C8TC06039H","","x-ray","1.54184","CuKα","","0.0489","0.0452","","","0.1232","0.1276","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237580","4.8792","0.0004","5.6694","0.0004","10.1845","0.0008","100.369","0.002","97.316","0.002","93.225","0.002","273.96","0.04","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","Sn(NCS)2","","- C2 N2 S2 Sn -","- C2 N2 S2 Sn -","- C4 N4 S4 Sn2 -","2","1","","Wechwithayakhlung, Chayanit; Packwood, Daniel M.; Chaopaknam, Jidapa; Worakajit, Pimpisut; Ittisanronnachai, Somlak; Chanlek, Narong; Promarak, Vinich; Kongpatpanich, Kanokwan; Harding, David J.; Pattanasattayavong, Pichaya","Tin(ii) thiocyanate Sn(NCS)2 ‒ a wide band gap coordination polymer semiconductor with a 2D structure","Journal of Materials Chemistry C","2019","7","12","3452","","10.1039/C8TC06150E","","x-ray","0.71073","MoKα","","0.0152","0.0143","","","0.0396","0.04","","","","","","1.141","","","","has coordinates","237787","2020-10-21","18:00:00",""
"7237581","19.915","0.003","19.847","0.003","16.513","0.003","90","","102.719","0.003","90","","6366.7","1.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H24 B2 F30 N4 O4 -","- C72 H24 B2 F30 N4 O4 -","- C288 H96 B8 F120 N16 O16 -","4","1","","Ono, Toshikazu; Hisaeda, Yoshio","Flexible-color tuning and white-light emission in three-, four-, and five-component host/guest co-crystals by charge-transfer emissions as well as effective energy transfers","Journal of Materials Chemistry C","2019","7","10","2829","","10.1039/C8TC06165C","","","0.71073","MoKα","","0.1219","0.0529","","","0.0948","0.1211","","","","","","0.994","","","","has coordinates","237789","2020-10-21","18:00:00",""
"7237582","19.909","0.004","19.531","0.004","16.642","0.003","90","","100.891","0.003","90","","6355","2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H20 B2 F34 N4 O4 -","- C72 H20 B2 F34 N4 O4 -","- C288 H80 B8 F136 N16 O16 -","4","1","","Ono, Toshikazu; Hisaeda, Yoshio","Flexible-color tuning and white-light emission in three-, four-, and five-component host/guest co-crystals by charge-transfer emissions as well as effective energy transfers","Journal of Materials Chemistry C","2019","7","10","2829","","10.1039/C8TC06165C","","","0.71073","MoKα","","0.1261","0.05","","","0.1003","0.1353","","","","","","0.992","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237583","11.374","0.002","20.799","0.004","14.4","0.003","90","","99.032","0.003","90","","3364.3","1.1","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H32 B2 F30 N4 O4 -","- C76 H32 B2 F30 N4 O4 -","- C152 H64 B4 F60 N8 O8 -","2","0.5","","Ono, Toshikazu; Hisaeda, Yoshio","Flexible-color tuning and white-light emission in three-, four-, and five-component host/guest co-crystals by charge-transfer emissions as well as effective energy transfers","Journal of Materials Chemistry C","2019","7","10","2829","","10.1039/C8TC06165C","","","0.71073","MoKα","","0.089","0.0539","","","0.0994","0.1123","","","","","","1.035","","","","has coordinates","237789","2020-10-21","18:00:00",""
"7237584","19.7642","0.0014","19.922","0.0014","16.6275","0.0012","90","","102.396","0.001","90","","6394.3","0.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H20 B2 F34 N4 O4 -","- C72 H20 B2 F34 N4 O4 -","- C288 H80 B8 F136 N16 O16 -","4","1","","Ono, Toshikazu; Hisaeda, Yoshio","Flexible-color tuning and white-light emission in three-, four-, and five-component host/guest co-crystals by charge-transfer emissions as well as effective energy transfers","Journal of Materials Chemistry C","2019","7","10","2829","","10.1039/C8TC06165C","","","0.71073","MoKα","","0.0901","0.0432","","","0.0833","0.1023","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237585","20.0151","0.0014","19.7169","0.0013","16.4873","0.0011","90","","102.466","0.001","90","","6353.1","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H20 B2 F34 N4 O4 -","- C72 H20 B2 F34 N4 O4 -","- C288 H80 B8 F136 N16 O16 -","4","1","","Ono, Toshikazu; Hisaeda, Yoshio","Flexible-color tuning and white-light emission in three-, four-, and five-component host/guest co-crystals by charge-transfer emissions as well as effective energy transfers","Journal of Materials Chemistry C","2019","7","10","2829","","10.1039/C8TC06165C","","","0.71073","MoKα","","0.0626","0.0395","","","0.0907","0.1076","","","","","","0.997","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237586","20.023","0.0014","20.3398","0.0014","16.3764","0.0011","90","","104.496","0.001","90","","6457.2","0.8","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H28 B2 F30 N4 O4 -","- C74 H28 B2 F30 N4 O4 -","- C296 H112 B8 F120 N16 O16 -","4","1","","Ono, Toshikazu; Hisaeda, Yoshio","Flexible-color tuning and white-light emission in three-, four-, and five-component host/guest co-crystals by charge-transfer emissions as well as effective energy transfers","Journal of Materials Chemistry C","2019","7","10","2829","","10.1039/C8TC06165C","","","0.71073","MoKα","","0.0914","0.0488","","","0.0968","0.1169","","","","","","0.974","","","","has coordinates","237789","2020-10-21","18:00:00",""
"7237587","20.0647","0.0016","20.4856","0.0016","16.4295","0.0013","90","","104.942","0.001","90","","6524.8","0.9","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H26 B2 F32 N4 O4 -","- C74 H26 B2 F32 N4 O4 -","- C296 H104 B8 F128 N16 O16 -","4","1","","Ono, Toshikazu; Hisaeda, Yoshio","Flexible-color tuning and white-light emission in three-, four-, and five-component host/guest co-crystals by charge-transfer emissions as well as effective energy transfers","Journal of Materials Chemistry C","2019","7","10","2829","","10.1039/C8TC06165C","","","0.71073","MoKα","","0.0808","0.0545","","","0.1348","0.1542","","","","","","1.029","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237588","11.4404","0.0009","20.9135","0.0016","14.3076","0.0011","90","","99.72","0.001","90","","3374.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H32 B2 F30 N4 O6 -","- C76 H32 B2 F30 N4 O6 -","- C152 H64 B4 F60 N8 O12 -","2","0.5","","Ono, Toshikazu; Hisaeda, Yoshio","Flexible-color tuning and white-light emission in three-, four-, and five-component host/guest co-crystals by charge-transfer emissions as well as effective energy transfers","Journal of Materials Chemistry C","2019","7","10","2829","","10.1039/C8TC06165C","","","0.71073","","","0.0738","0.0441","","","0.0976","0.114","","","","","","1.003","","","","has coordinates","237789","2020-10-21","18:00:00",""
"7237589","13.4427","0.0013","14.132","0.0014","15.7877","0.0015","85.81","0.002","84.834","0.002","88.496","0.002","2978.5","0.5","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C67 H17 B2 F33 N4 O4 -","- C67 H17 B2 F33 N4 O4 -","- C134 H34 B4 F66 N8 O8 -","2","1","","Ono, Toshikazu; Hisaeda, Yoshio","Flexible-color tuning and white-light emission in three-, four-, and five-component host/guest co-crystals by charge-transfer emissions as well as effective energy transfers","Journal of Materials Chemistry C","2019","7","10","2829","","10.1039/C8TC06165C","","","0.71073","","","0.0917","0.0492","","","0.1012","0.1213","","","","","","1.006","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237590","11.1604","0.0011","21.035","0.002","14.8978","0.0015","90","","99.764","0.002","90","","3446.7","0.6","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H36 B2 F30 N4 O4 -","- C78 H36 B2 F30 N4 O4 -","- C156 H72 B4 F60 N8 O8 -","2","0.5","","Ono, Toshikazu; Hisaeda, Yoshio","Flexible-color tuning and white-light emission in three-, four-, and five-component host/guest co-crystals by charge-transfer emissions as well as effective energy transfers","Journal of Materials Chemistry C","2019","7","10","2829","","10.1039/C8TC06165C","","","0.71073","MoKα","","0.0579","0.0398","","","0.0976","0.1075","","","","","","1.024","","","","has coordinates","237789","2020-10-21","18:00:00",""
"7237591","20.0295","0.0019","20.6089","0.0019","16.3863","0.0015","90","","105.092","0.001","90","","6530.7","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H26 B2 F32 N4 O4 -","- C74 H26 B2 F32 N4 O4 -","- C296 H104 B8 F128 N16 O16 -","4","1","","Ono, Toshikazu; Hisaeda, Yoshio","Flexible-color tuning and white-light emission in three-, four-, and five-component host/guest co-crystals by charge-transfer emissions as well as effective energy transfers","Journal of Materials Chemistry C","2019","7","10","2829","","10.1039/C8TC06165C","","","0.71073","MoKα","","0.1538","0.0656","","","0.1322","0.1709","","","","","","0.998","","","","has coordinates","237789","2020-10-21","18:00:00",""
"7237592","19.958","0.003","19.786","0.003","16.513","0.002","90","","102.162","0.002","90","","6374.4","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H22 B2 F32 N4 O4 -","- C72 H22 B2 F32 N4 O4 -","- C288 H88 B8 F128 N16 O16 -","4","1","","Ono, Toshikazu; Hisaeda, Yoshio","Flexible-color tuning and white-light emission in three-, four-, and five-component host/guest co-crystals by charge-transfer emissions as well as effective energy transfers","Journal of Materials Chemistry C","2019","7","10","2829","","10.1039/C8TC06165C","","","0.71073","MoKα","","0.0857","0.0542","","","0.127","0.1443","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237593","20.1002","0.0013","20.5714","0.0014","16.2701","0.0011","90","","105.099","0.001","90","","6495.3","0.8","100","","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C74 H26 B2 F32 N4 O4 -","- C74 H26 B2 F32 N4 O4 -","- C296 H104 B8 F128 N16 O16 -","4","1","","Ono, Toshikazu; Hisaeda, Yoshio","Flexible-color tuning and white-light emission in three-, four-, and five-component host/guest co-crystals by charge-transfer emissions as well as effective energy transfers","Journal of Materials Chemistry C","2019","7","10","2829","","10.1039/C8TC06165C","","","0.71073","MoKα","","0.0722","0.0425","","","0.098","0.1177","","","","","","0.989","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237594","11.269","0.008","21.529","0.015","14.26","0.01","90","","95.458","0.008","90","","3444","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H32 B2 F30 N4 O8 -","- C76 H32 B2 F30 N4 O8 -","- C152 H64 B4 F60 N8 O16 -","2","0.5","","Ono, Toshikazu; Hisaeda, Yoshio","Flexible-color tuning and white-light emission in three-, four-, and five-component host/guest co-crystals by charge-transfer emissions as well as effective energy transfers","Journal of Materials Chemistry C","2019","7","10","2829","","10.1039/C8TC06165C","","","0.71073","MoKα","","0.0682","0.0449","","","0.1294","0.1539","","","","","","0.941","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237595","10.1337","0.0014","12.1832","0.0017","39.958","0.006","90","","94.845","0.007","90","","4915.6","1.2","200","2","200","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H21 N3 S -","- C32 H21 N3 S -","- C256 H168 N24 S8 -","8","2","","Peng, Zhixing; Zhang, Kang; Huang, Zongwei; Wang, Zaibin; Duttwyler, Simon; Wang, Yanguang; Lu, Ping","Emissions from a triphenylamine–benzothiadiazole–monocarbaborane triad and its applications as a fluorescent chemosensor and a white OLED component","Journal of Materials Chemistry C","2019","7","8","2430","","10.1039/C8TC06176A","","","1.34139","GaKα","","0.1158","0.0816","","","0.2132","0.2462","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237596","9.2421","0.0005","25.8803","0.0015","10.1049","0.0007","90","","99.171","0.006","90","","2386.1","0.3","119.9","","119.9","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H20 N4 S -","- C31 H20 N4 S -","- C124 H80 N16 S4 -","4","1","","Peng, Zhixing; Zhang, Kang; Huang, Zongwei; Wang, Zaibin; Duttwyler, Simon; Wang, Yanguang; Lu, Ping","Emissions from a triphenylamine–benzothiadiazole–monocarbaborane triad and its applications as a fluorescent chemosensor and a white OLED component","Journal of Materials Chemistry C","2019","7","8","2430","","10.1039/C8TC06176A","","","0.71073","MoKα","","0.0686","0.0485","","","0.1101","0.1254","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237597","9.3757","0.0005","9.533","0.0006","28.1021","0.0018","90","","90","","90","","2511.7","0.3","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H23 N3 O S -","- C33 H23 N3 O S -","- C132 H92 N12 O4 S4 -","4","1","","Peng, Zhixing; Zhang, Kang; Huang, Zongwei; Wang, Zaibin; Duttwyler, Simon; Wang, Yanguang; Lu, Ping","Emissions from a triphenylamine–benzothiadiazole–monocarbaborane triad and its applications as a fluorescent chemosensor and a white OLED component","Journal of Materials Chemistry C","2019","7","8","2430","","10.1039/C8TC06176A","","","0.71073","MoKα","","0.0486","0.039","","","0.0847","0.0906","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237598","38.055","0.0016","8.6859","0.0004","48.844","0.002","90","","90","","90","","16145","1.2","170","2","170","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C35 H47 B11 N4 S -","- C35 H47 B11 N4 S -","- C560 H752 B176 N64 S16 -","16","4","","Peng, Zhixing; Zhang, Kang; Huang, Zongwei; Wang, Zaibin; Duttwyler, Simon; Wang, Yanguang; Lu, Ping","Emissions from a triphenylamine‒benzothiadiazole‒monocarbaborane triad and its applications as a fluorescent chemosensor and a white OLED component","Journal of Materials Chemistry C","2019","7","8","2430","","10.1039/C8TC06176A","","","1.34139","GaKα","","0.1115","0.0997","","","0.2594","0.2723","","","","","","1.021","","","","has coordinates","237791","2020-10-21","18:00:00",""
"7237599","27.33","0.004","27.33","0.004","5.9874","0.0009","90","","90","","90","","4472.2","1.1","173.01","0.1","173.01","0.1","","","","","","","","4","I 41","I 4bw","80","","","","- C14 H13 N O -","- C14 H13 N O -","- C224 H208 N16 O16 -","16","2","","Huang, Qiuqin; Mei, Xiaofei; Xie, Zongliang; Wu, Duobin; Yang, Shuming; Gong, Wenjing; Chi, Zhenguo; Lin, Zhenghuan; Ling, Qidan","Photo-induced phosphorescence and mechanoluminescence switching in a simple purely organic molecule","Journal of Materials Chemistry C","2019","7","9","2530","","10.1039/C8TC06202A","","","0.71073","MoKα","","0.1534","0.0798","","","0.0981","0.1188","","","","","","0.979","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237600","27.4577","0.0012","27.4577","0.0012","5.9843","0.0004","90","","90","","90","","4511.7","0.4","100","0.1","100","0.1","","","","","","","","4","I 41","I 4bw","80","","","","- C14 H13 N O -","- C14 H13 N O -","- C224 H208 N16 O16 -","16","2","","Huang, Qiuqin; Mei, Xiaofei; Xie, Zongliang; Wu, Duobin; Yang, Shuming; Gong, Wenjing; Chi, Zhenguo; Lin, Zhenghuan; Ling, Qidan","Photo-induced phosphorescence and mechanoluminescence switching in a simple purely organic molecule","Journal of Materials Chemistry C","2019","7","9","2530","","10.1039/C8TC06202A","","x-ray","0.71073","MoKα","","0.0613","0.0472","","","0.104","0.11","","","","","","1.066","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7237601","12.1075","0.0006","15.9308","0.0007","20.0007","0.0014","90","","107.869","0.005","90","","3671.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 Bi2 Cl9 N3 -","- C18 H42 Bi2 Cl9 N3 -","- C72 H168 Bi8 Cl36 N12 -","4","1","","Wang, Qing; Zhang, Yu-Wei; Zhang, Wan-Ying; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A high-temperature multiaxial precision time-delayed dielectric switch crystal triggered by linear/propeller/ball three-form motion","Journal of Materials Chemistry C","2019","7","10","2994","","10.1039/C8TC06228E","","","0.71073","MoKα","","0.0577","0.0443","","","0.1286","0.1339","","","","","","1.129","","","","has coordinates","237796","2020-10-21","18:00:00",""
"7237602","9.7795","0.0009","9.7795","0.0009","23.197","0.005","90","","90","","120","","1921.3","0.5","443","2","443","2","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- C15 Bi2 Cl9 N3 -","- C15 Bi2 Cl9 N2 -","- C30 Bi4 Cl18 N4 -","2","0.0833333","","Wang, Qing; Zhang, Yu-Wei; Zhang, Wan-Ying; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A high-temperature multiaxial precision time-delayed dielectric switch crystal triggered by linear/propeller/ball three-form motion","Journal of Materials Chemistry C","2019","7","10","2994","","10.1039/C8TC06228E","","","0.71073","MoKα","","0.2094","0.1328","","","0.3676","0.3818","","","","","","1.026","","","","has coordinates","237796","2020-10-21","18:00:00",""
"7237603","5.7067","0.0003","7.2919","0.0003","15.0345","0.0009","101.367","0.004","96.548","0.004","90.231","0.004","609.13","0.06","294.8","0.5","294.8","0.5","","","","","","","","3","P -1","-P 1","2","","","","- C15 H10 N4 -","- C15 H10 N4 -","- C30 H20 N8 -","2","1","","Zhang, Ning-Ning; Sa, Rong-Jian; Sun, Shan-Shan; Li, Ming-De; Wang, Ming-Sheng; Guo, Guo-Cong","Photoresponsive triazole-based donor–acceptor molecules: color change and heat/air-stable diradicals","Journal of Materials Chemistry C","2019","7","10","3100","","10.1039/C8TC06231E","","","1.54178","CuKα","","0.0405","0.0367","","","0.1056","0.1106","","","","","","0.992","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237604","5.6371","0.0005","7.4472","0.0006","15.0753","0.001","93.055","0.006","96.81","0.006","90.542","0.007","627.43","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N3 O -","- C15 H13 N3 O -","- C30 H26 N6 O2 -","2","1","","Zhang, Ning-Ning; Sa, Rong-Jian; Sun, Shan-Shan; Li, Ming-De; Wang, Ming-Sheng; Guo, Guo-Cong","Photoresponsive triazole-based donor–acceptor molecules: color change and heat/air-stable diradicals","Journal of Materials Chemistry C","2019","7","10","3100","","10.1039/C8TC06231E","","","0.71073","MoKα","","0.0785","0.0482","","","0.1174","0.1306","","","","","","1.076","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237605","4.7639","0.0013","8.744","0.002","14.31","0.007","90.45","0.05","93.46","0.03","96.76","0.03","590.8","0.4","173","2","173","2","","","","","","","","4","P 1","P 1","1","","(S)-2-hexyl-7-(2-phenylpropyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone","","- C29 H28 N2 O4 -","- C29 H28 N2 O4 -","- C29 H28 N2 O4 -","1","1","","Chen, Ming; Li, Jing; Jiao, Xuechen; Yang, Xiaochun; Wu, Wenting; McNeill, Christopher R.; Gao, Xike","Enantiopure versus racemic naphthalene diimide-based n-type organic semiconductors: effect on charge transport","Journal of Materials Chemistry C","2019","7","9","2659","","10.1039/C8TC06273K","","","1.54178","CuKα","","0.0767","0.0704","","","0.1829","0.1886","","","","","","1.105","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237606","4.8296","0.0002","8.7435","0.0003","14.4477","0.0005","89.914","0.001","86.096","0.001","82.549","0.001","603.52","0.04","293","2","293","2","","","","","","","","4","P 1","P 1","1","","(R)-2-hexyl-7-(2-phenylpropyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone","","- C29 H28 N2 O4 -","- C29 H28 N2 O4 -","- C29 H28 N2 O4 -","1","1","","Chen, Ming; Li, Jing; Jiao, Xuechen; Yang, Xiaochun; Wu, Wenting; McNeill, Christopher R.; Gao, Xike","Enantiopure versus racemic naphthalene diimide-based n-type organic semiconductors: effect on charge transport","Journal of Materials Chemistry C","2019","7","9","2659","","10.1039/C8TC06273K","","","1.54178","CuKα","","0.0541","0.0526","","","0.1536","0.1564","","","","","","1.072","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237607","21.676","0.004","11.875","0.002","12.363","0.003","90","","90","","90","","3182.3","1.1","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C35 H35 Br N4 O3 -","- C35 H35 Br N4 O3 -","- C140 H140 Br4 N16 O12 -","4","1","","Jiang, Daoyong; Xue, Xingying; Zhang, Guoning; Wang, Yucheng; Zhang, Han; Feng, Chao; Wang, Zhifei; Zhao, Hong","Simple and efficient rhodamine-derived VO2+ and Cu2±responsive colorimetric and reversible fluorescent chemosensors toward the design of multifunctional materials","Journal of Materials Chemistry C","2019","7","12","3576","","10.1039/C8TC06296J","","","0.71073","MoKα","","0.0765","0.0507","","","0.1005","0.1118","","","","","","1.072","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237608","11.757","0.002","12.113","0.002","22.483","0.005","90","","90","","90","","3201.9","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H34 Br2 N4 O3 -","- C35 H34 Br2 N4 O3 -","- C140 H136 Br8 N16 O12 -","4","1","","Jiang, Daoyong; Xue, Xingying; Zhang, Guoning; Wang, Yucheng; Zhang, Han; Feng, Chao; Wang, Zhifei; Zhao, Hong","Simple and efficient rhodamine-derived VO2+ and Cu2±responsive colorimetric and reversible fluorescent chemosensors toward the design of multifunctional materials","Journal of Materials Chemistry C","2019","7","12","3576","","10.1039/C8TC06296J","","","0.71073","MoKα","","0.0955","0.0628","","","0.1256","0.1408","","","","","","1.041","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237609","24.1517","0.0006","9.1349","0.00017","19.4787","0.0005","90","","112.16","0.003","90","","3980.02","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 N -","- C28 H21 N -","- C224 H168 N8 -","8","2","","Khalid Baig, Moghal Zubair; Prusti, Banchhanidhi; Chakravarty, Manab","Monopyridyl-linked unsymmetrical anthracenyl π-conjugate as a platform for acid-pen and base-eraser","Journal of Materials Chemistry C","2019","7","13","3735","","10.1039/C8TC06338A","","x-ray","1.54184","CuKα","","0.064","0.0608","","","0.1665","0.1694","","","","","","1.0518","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237610","6.0496","0.0004","7.488","0.0004","23.2847","0.0009","88.896","0.004","88.491","0.004","81.556","0.005","1042.86","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H22 Cl N -","- C28 H22 Cl N -","- C56 H44 Cl2 N2 -","2","1","","Khalid Baig, Moghal Zubair; Prusti, Banchhanidhi; Chakravarty, Manab","Monopyridyl-linked unsymmetrical anthracenyl π-conjugate as a platform for acid-pen and base-eraser","Journal of Materials Chemistry C","2019","7","13","3735","","10.1039/C8TC06338A","","x-ray","0.71073","MoKα","","0.045","0.0385","","","0.1265","0.1327","","","","","","1.08","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237611","11.5684","0.0006","16.2297","0.0009","23.952","0.0014","90","","101.587","0.001","90","","4405.4","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H32 F6 Ir N5 P2 S2 -","- C46 H32 F6 Ir N5 P2 S2 -","- C184 H128 F24 Ir4 N20 P8 S8 -","4","1","","Ma, Xiao-Feng; Xia, Jing-Cheng; Yan, Zhi-Ping; Luo, Xu-Feng; Wu, Zheng-Guang; Zheng, You-Xuan; Zhang, Wen-Wei","Highly efficient green and red electroluminescence with an extremely low efficiency roll-off based on iridium(iii) complexes containing a bis(diphenylphorothioyl)amide ancillary ligand","Journal of Materials Chemistry C","2019","7","9","2570","","10.1039/C8TC06346J","","","0.71073","MoKα","","0.0379","0.0278","","","0.0622","0.0666","","","","","","1.032","","","","has coordinates,has disorder","237803","2020-10-21","18:00:00",""
"7237612","20.775","0.003","22.658","0.004","10.1503","0.0016","90","","90","","90","","4777.9","1.3","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C54 H36 F6 Ir N5 P2 S2 -","- C54 H36 F6 Ir N5 P2 S2 -","- C216 H144 F24 Ir4 N20 P8 S8 -","4","0.5","","Ma, Xiao-Feng; Xia, Jing-Cheng; Yan, Zhi-Ping; Luo, Xu-Feng; Wu, Zheng-Guang; Zheng, You-Xuan; Zhang, Wen-Wei","Highly efficient green and red electroluminescence with an extremely low efficiency roll-off based on iridium(iii) complexes containing a bis(diphenylphorothioyl)amide ancillary ligand","Journal of Materials Chemistry C","2019","7","9","2570","","10.1039/C8TC06346J","","","0.71073","MoKα","","0.0495","0.0461","","","0.1035","0.1051","","","","","","1.162","","","","has coordinates,has disorder","237803","2020-10-21","18:00:00",""
"7237613","27.1547","0.0006","35.3955","0.0007","26.6127","0.0005","90","","94.692","0.001","90","","25493.2","0.9","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C125 H108 Au3 Cl13 N4 O8 P8 Pt -","- C125 H108 Au3 Cl13 N4 O8 P8 Pt -","- C1000 H864 Au24 Cl104 N32 O64 P64 Pt8 -","8","2","","Natarajan, Nagarajan; Shi, Lin-Xi; Xiao, Hui; Wang, Jin-Yun; Zhang, Li-Yi; Zhang, Xu; Chen, Zhong-Ning","PtAu3 cluster complexes with narrow-band emissions for solution-processed organic light emitting diodes","Journal of Materials Chemistry C","2019","7","9","2604","","10.1039/C8TC06384B","","","0.71073","MoKα","","0.0803","0.0493","","","0.1195","0.1365","","","","","","1.069","","","","has coordinates,has disorder","237805","2020-10-21","18:00:00",""
"7237614","19.1619","0.0006","25.9141","0.0009","23.8186","0.001","90","","97.305","0.001","90","","11731.4","0.7","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C127 H108 Au3 Cl8 N2 O9 P8 Pt -","- C127 H106 Au3 Cl8 N2 O9 P8 Pt -","- C508 H424 Au12 Cl32 N8 O36 P32 Pt4 -","4","1","","Natarajan, Nagarajan; Shi, Lin-Xi; Xiao, Hui; Wang, Jin-Yun; Zhang, Li-Yi; Zhang, Xu; Chen, Zhong-Ning","PtAu3 cluster complexes with narrow-band emissions for solution-processed organic light emitting diodes","Journal of Materials Chemistry C","2019","7","9","2604","","10.1039/C8TC06384B","","","0.71073","MoKα","","0.0444","0.0386","","","0.0876","0.0902","","","","","","1.069","","","","has coordinates,has disorder","237805","2020-10-21","18:00:00",""
"7237615","7.8705","0.0003","13.512","0.0006","19.4137","0.001","90","","90","","90","","2064.57","0.16","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H25 B F2 N2 -","- C22 H25 B F2 N2 -","- C88 H100 B4 F8 N8 -","4","1","","Duan, Chong; Zhou, Yibin; Shan, Guo-Gang; Chen, Yuncong; Zhao, Weijun; Yuan, Dandan; Zeng, Lintao; Huang, Xiaobo; Niu, Guangle","Bright solid-state red-emissive BODIPYs: facile synthesis and their high-contrast mechanochromic properties","Journal of Materials Chemistry C","2019","7","12","3471","","10.1039/C8TC06421K","","","0.71073","MoKα","","0.0513","0.0388","","","0.0896","0.0983","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237616","13.0734","0.0004","12.6281","0.0003","20.3826","0.0005","90","","90","","90","","3365.01","0.15","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H19 B F2 N2 -","- C19 H19 B F2 N2 -","- C152 H152 B8 F16 N16 -","8","1","","Duan, Chong; Zhou, Yibin; Shan, Guo-Gang; Chen, Yuncong; Zhao, Weijun; Yuan, Dandan; Zeng, Lintao; Huang, Xiaobo; Niu, Guangle","Bright solid-state red-emissive BODIPYs: facile synthesis and their high-contrast mechanochromic properties","Journal of Materials Chemistry C","2019","7","12","3471","","10.1039/C8TC06421K","","","0.71073","MoKα","","0.0623","0.0455","","","0.1189","0.1327","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237617","11.3643","0.0006","7.1999","0.0003","16.0342","0.0007","90","","90","","90","","1311.95","0.11","296","2","296","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C14 H17 B F2 N2 -","- C14 H17 B F2 N2 -","- C56 H68 B4 F8 N8 -","4","0.5","","Duan, Chong; Zhou, Yibin; Shan, Guo-Gang; Chen, Yuncong; Zhao, Weijun; Yuan, Dandan; Zeng, Lintao; Huang, Xiaobo; Niu, Guangle","Bright solid-state red-emissive BODIPYs: facile synthesis and their high-contrast mechanochromic properties","Journal of Materials Chemistry C","2019","7","12","3471","","10.1039/C8TC06421K","","","0.71073","MoKα","","0.0528","0.0407","","","0.0999","0.1091","","","","","","1.041","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237618","14.031","0.003","15.207","0.003","26.212","0.006","90","","90","","90","","5593","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 B F2 N2 -","- C20 H21 B F2 N2 -","- C240 H252 B12 F24 N24 -","12","3","","Duan, Chong; Zhou, Yibin; Shan, Guo-Gang; Chen, Yuncong; Zhao, Weijun; Yuan, Dandan; Zeng, Lintao; Huang, Xiaobo; Niu, Guangle","Bright solid-state red-emissive BODIPYs: facile synthesis and their high-contrast mechanochromic properties","Journal of Materials Chemistry C","2019","7","12","3471","","10.1039/C8TC06421K","","","0.71073","MoKα","","0.1945","0.1362","","","0.3491","0.392","","","","","","1.315","","","","has coordinates","237807","2020-10-21","18:00:00",""
"7237619","9.973","0.004","8.757","0.004","15.809","0.006","90","","90","","90","","1380.7","1","173","2","173.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H7 N2 Nd O8 -","- C14 H7 N2 Nd O8 -","- C56 H28 N8 Nd4 O32 -","4","0.5","","Zeng, Min; Zhan, Chuanlang; Yao, Jiannian","Novel bimetallic lanthanide metal‒organic frameworks (Ln-MOFs) for colour-tuning through energy-transfer between visible and near-infrared emitting Ln3+ ions","Journal of Materials Chemistry C","2019","7","9","2751","","10.1039/C8TC06445H","","","0.71073","MoKα","","0.0321","0.0314","","","0.0916","0.0925","","","","","","1.156","","","","has coordinates","237809","2020-10-21","18:00:00",""
"7237620","6.4925","0.0013","17.852","0.004","9.35","0.002","90","","94.942","0.003","90","","1079.7","0.4","173","2","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 N3 Nd2 O14 -","- C21 H13 N3 Nd2 O14 -","- C42 H26 N6 Nd4 O28 -","2","0.5","","Zeng, Min; Zhan, Chuanlang; Yao, Jiannian","Novel bimetallic lanthanide metal‒organic frameworks (Ln-MOFs) for colour-tuning through energy-transfer between visible and near-infrared emitting Ln3+ ions","Journal of Materials Chemistry C","2019","7","9","2751","","10.1039/C8TC06445H","","","0.71073","MoKα","","0.033","0.0322","","","0.0751","0.0757","","","","","","1.167","","","","has coordinates","237811","2020-10-21","18:00:00",""
"7237621","8.692","0.0002","15.055","0.0002","21.9675","0.0006","90","","90","","90","","2874.62","0.11","189.9","0.2","189.9","0.2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C3 H15 Bi2 I9 N6 -","- C3 H15 Bi2 I9 N6 -","- C12 H60 Bi8 I36 N24 -","4","0.5","","Szklarz, Przemysław; Gągor, Anna; Jakubas, Ryszard; Zieliński, Piotr; Piecha-Bisiorek, Anna; Cichos, Jakub; Karbowiak, Mirosław; Bator, Grażyna; Ciżman, Agnieszka","Lead-free hybrid ferroelectric material based on formamidine: [NH2CHNH2]3Bi2I9","Journal of Materials Chemistry C","2019","7","10","3003","","10.1039/C8TC06458J","","x-ray","0.71073","MoKα","","0.0792","0.0631","","","0.1929","0.206","","","","","","1.206","","","","has coordinates","237813","2020-10-21","18:00:00",""
"7237622","8.7119","0.0002","8.7119","0.0002","22.0141","0.0009","90","","90","","120","","1446.96","0.08","219.8","0.4","219.8","0.4","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C3 H15 Bi2 I9 N6 -","- C3 H17.9997 Bi2 I9 N5.9994 -","- C6 H35.9994 Bi4 I18 N11.9988 -","2","0.166667","","Szklarz, Przemysław; Gągor, Anna; Jakubas, Ryszard; Zieliński, Piotr; Piecha-Bisiorek, Anna; Cichos, Jakub; Karbowiak, Mirosław; Bator, Grażyna; Ciżman, Agnieszka","Lead-free hybrid ferroelectric material based on formamidine: [NH2CHNH2]3Bi2I9","Journal of Materials Chemistry C","2019","7","10","3003","","10.1039/C8TC06458J","","x-ray","0.71073","MoKα","","0.0406","0.034","","","0.0851","0.0877","","","","","","1.257","","","","has coordinates","237813","2020-10-21","18:00:00",""
"7237623","12.1166","0.0019","26.53","0.004","5.9228","0.0009","90","","90","","90","","1903.9","0.5","180","2","180","2","","","","","","","","3","F d d 2","F 2 -2d","43","2,3-TFBP","","","- C12 H6 F4 -","- C12 H6 F4 -","- C96 H48 F32 -","8","0.5","","Maiti, Buddhadev; Wang, Kunlun; Bhandari, Srijana; Bunge, Scott D.; Twieg, Robert J.; Dunietz, Barry D.","Enhancing charge mobilities in selectively fluorinated oligophenyl organic semiconductors: a design approach based on experimental and computational perspectives","Journal of Materials Chemistry C","2019","7","13","3881","","10.1039/C8TC06517A","","","0.71073","MoKα","","0.0205","0.0199","","","0.0501","0.0508","","","","","","1.068","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237624","3.7497","0.0006","10.4225","0.0017","23.936","0.004","90","","90.849","0.002","90","","935.3","0.3","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,5-TFBP","","","- C12 H6 F4 -","- C12 H6 F4 -","- C48 H24 F16 -","4","1","","Maiti, Buddhadev; Wang, Kunlun; Bhandari, Srijana; Bunge, Scott D.; Twieg, Robert J.; Dunietz, Barry D.","Enhancing charge mobilities in selectively fluorinated oligophenyl organic semiconductors: a design approach based on experimental and computational perspectives","Journal of Materials Chemistry C","2019","7","13","3881","","10.1039/C8TC06517A","","","0.71073","MoKα","","0.0499","0.0423","","","0.1108","0.116","","","","","","1.104","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237625","7.338","0.002","12.605","0.004","19.886","0.006","90","","90","","90","","1839.4","0.9","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H6 F4 -","- C12 H6 F4 -","- C96 H48 F32 -","8","1","","Maiti, Buddhadev; Wang, Kunlun; Bhandari, Srijana; Bunge, Scott D.; Twieg, Robert J.; Dunietz, Barry D.","Enhancing charge mobilities in selectively fluorinated oligophenyl organic semiconductors: a design approach based on experimental and computational perspectives","Journal of Materials Chemistry C","2019","7","13","3881","","10.1039/C8TC06517A","","","0.71073","MoKα","","0.1104","0.0744","","","0.1771","0.2235","","","","","","1.18","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237626","10.3811","0.0003","13.2135","0.0004","13.8306","0.0004","81.924","0.002","77.158","0.002","72.986","0.002","1762.94","0.09","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","4Br4Ph","","- C46 H26 Br4 -","- C46 H26 Br4 -","- C92 H52 Br8 -","2","1","","Sato, Ryonosuke; Eda, Shohei; Sugiyama, Haruki; Uekusa, Hidehiro; Hamura, Toshiyuki; Mori, Takehiko","Ambipolar transistors based on chloro-substituted tetraphenylpentacene","Journal of Materials Chemistry C","2019","7","11","3294","","10.1039/C8TC06603E","","","1.54186","CuKα","","0.0905","0.0685","","","0.1592","0.1983","","","","","","1.013","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237627","10.377","0.0013","12.874","0.002","13.3509","0.0017","86.033","0.006","77.911","0.004","74.579","0.005","1681.1","0.4","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","4Cl4Ph","","- C46 H26 Cl4 -","- C46 H26 Cl4 -","- C92 H52 Cl8 -","2","1","","Sato, Ryonosuke; Eda, Shohei; Sugiyama, Haruki; Uekusa, Hidehiro; Hamura, Toshiyuki; Mori, Takehiko","Ambipolar transistors based on chloro-substituted tetraphenylpentacene","Journal of Materials Chemistry C","2019","7","11","3294","","10.1039/C8TC06603E","","","0.71075","MoKα","","0.1153","0.0694","","","0.168","0.2304","","","","","","1.029","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237628","10.039","0.0002","13.07","0.0002","13.409","0.0002","112.658","0.001","103.943","0.001","92.256","0.001","1558.51","0.05","173","2","173","2","","","","","","","","3","P -1","-P 1","2","4F4Ph","","","- C46 H26 F4 -","- C46 H26 F4 -","- C92 H52 F8 -","2","1","","Sato, Ryonosuke; Eda, Shohei; Sugiyama, Haruki; Uekusa, Hidehiro; Hamura, Toshiyuki; Mori, Takehiko","Ambipolar transistors based on chloro-substituted tetraphenylpentacene","Journal of Materials Chemistry C","2019","7","11","3294","","10.1039/C8TC06603E","","","1.54186","CuKα","","0.1144","0.0677","","","0.1814","0.2312","","","","","","0.968","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237629","14.288","0.005","13.854","0.005","28.391","0.01","90","","103.983","0.009","90","","5453","3","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H45 N2 O8 Tb Zn -","- C52 H45 N2 O8 Tb Zn -","- C208 H180 N8 O32 Tb4 Zn4 -","4","1","","He, Yani; Liu, Lin; Fu, Guorui; Li, Wentao; Lü, Xingqiang; He, Hongshan; Wong, Wai-Yeung","Efficient white polymer light-emitting diodes (WPLEDs) based on double emitting layers of a PVK:Eu(iii)-complex and Alq3","Journal of Materials Chemistry C","2019","7","16","4800","","10.1039/C8TC06610H","","","0.71073","MoKα","","0.3187","0.111","","","0.2437","0.3314","","","","","","0.891","","","","has coordinates","237819","2020-10-21","18:00:00",""
"7237630","9.0161","0.0005","12.1545","0.0009","14.2631","0.0008","90.32","0.006","92.439","0.006","91.052","0.006","1561.33","0.17","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H38 Co Dy N10 O9 -","- C22 H38 Co Dy N10 O9 -","- C44 H76 Co2 Dy2 N20 O18 -","2","1","","Chorazy, Szymon; Zakrzewski, Jakub J.; Reczyński, Mateusz; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Humidity driven molecular switch based on photoluminescent DyIIICoIII single-molecule magnets","Journal of Materials Chemistry C","2019","7","14","4164","","10.1039/C8TC06630B","","x-ray","0.71075","MoKα","","0.0867","0.0627","","","0.0935","0.1029","","","","","","1.143","","","","has coordinates","237821","2020-10-21","18:00:00",""
"7237631","9.0316","0.0008","12.069","0.0011","14.0244","0.0011","95.225","0.007","90.46","0.006","90.216","0.006","1522.3","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H36 Co Dy N10 O8 -","- C22 H36 Co Dy N10 O8 -","- C44 H72 Co2 Dy2 N20 O16 -","2","1","","Chorazy, Szymon; Zakrzewski, Jakub J.; Reczyński, Mateusz; Nakabayashi, Koji; Ohkoshi, Shin-ichi; Sieklucka, Barbara","Humidity driven molecular switch based on photoluminescent DyIIICoIII single-molecule magnets","Journal of Materials Chemistry C","2019","7","14","4164","","10.1039/C8TC06630B","","x-ray","0.71075","MoKα","","0.1222","0.0948","","","0.1458","0.1547","","","","","","1.171","","","","has coordinates","237821","2020-10-21","18:00:00",""
"7237632","15.075","0.003","17.897","0.004","20.43","0.004","67.14","0.03","81","0.03","77.91","0.03","4949","2","100","2","100","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H127 N2 O2 S12 Si2 -","- C100 H127 N2 O2 S12 Si2 -","- C200 H254 N4 O4 S24 Si4 -","2","1","","Lee, Calvin J.; Mitchell, Valerie D.; White, Jonathan; Jiao, Xuechen; McNeill, Christopher R.; Subbiah, Jegadesan; Jones, David J.","Solubilizing core modifications on high-performing benzodithiophene-based molecular semiconductors and their influences on film nanostructure and photovoltaic performance","Journal of Materials Chemistry A","2019","7","11","6312","","10.1039/C9TA00168A","","","0.71092","Synchrotron","","0.1291","0.0936","","","0.256","0.2895","","","","","","1.039","","","","has coordinates,has disorder","238449","2020-10-21","18:00:00",""
"7237633","12.4096","0.0005","21.385","0.0008","16.206","0.0006","90","","103.343","0.004","90","","4184.6","0.3","150.01","0.1","150.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H22 Eu2 N0 O15 -","- C36 H22 Eu2 O15 -","- C144 H88 Eu8 O60 -","4","0.5","","Zhao, Yifang; Wan, Meng-Yan; Bai, Jian-Ping; Zeng, Heng; Lu, Weigang; Li, Dan","pH-Modulated luminescence switching in a Eu-MOF: rapid detection of acidic amino acids","Journal of Materials Chemistry A","2019","7","18","11127","","10.1039/C9TA00384C","","","1.54184","CuKα","","0.0603","0.0509","","","0.1272","0.1318","","","","","","1.051","","","","has coordinates","238452","2020-10-21","18:00:00",""
"7237634","11.937","0.0001","21.893","0.0001","16.5712","0.0001","90","","100.534","0.001","90","","4257.68","0.05","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H39 Eu2 N3 O15 -","- C45 H39 Eu2 N3 O15 -","- C180 H156 Eu8 N12 O60 -","4","1","","Zhao, Yifang; Wan, Meng-Yan; Bai, Jian-Ping; Zeng, Heng; Lu, Weigang; Li, Dan","pH-Modulated luminescence switching in a Eu-MOF: rapid detection of acidic amino acids","Journal of Materials Chemistry A","2019","7","18","11127","","10.1039/C9TA00384C","","","1.54184","CuKα","","0.0341","0.031","","","0.0912","0.0932","","","","","","1.103","","","","has coordinates","238452","2020-10-21","18:00:00",""
"7237635","9.675","0.0003","10.7761","0.0004","12.886","0.0004","101.486","0.003","100.639","0.003","112.862","0.003","1160.97","0.08","150","","150","","","","","","","","synthesized","5","P 1","P 1","1","","","","- C46 H54 Cl4 N4 O6 -","- C46 H54 Cl4 N4 O6 -","- C46 H54 Cl4 N4 O6 -","1","1","","Owais, Ahmed; Djerdjev, Alex M.; Hook, James M.; Yuen, Alex; Rowlands, William; White, Nicholas G.; Neto, Chiara","Host–guest interactions of catechol and 4-ethylcatechol with surface-immobilized blue-box molecules","Journal of Materials Chemistry A","2019","7","20","12713","","10.1039/C9TA00556K","","","1.54184","CuKα","","0.0721","0.0702","","0.2116","0.2062","0.2116","","","","","","0.9781","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237636","40.4587","0.0008","11.7583","0.0002","17.7354","0.0003","90","","105.271","0.002","90","","8139.3","0.3","180","","180","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","PDO1","3,7-bis(bis(4-methoxyphenyl)amino)-10-(4-methoxyphenyl)-10H-phenothiazine 5,5-dioxide","","- C47 H41 N3 O7 S -","- C47 H41 N3 O7 S -","- C376 H328 N24 O56 S8 -","8","1","","Ding, Xingdong; Chen, Cheng; Sun, Linghao; Li, Hongping; Chen, Hong; Su, Jie; Li, Huaming; Li, Henan; Xu, Li; Cheng, Ming","Highly efficient phenothiazine 5,5-dioxide-based hole transport materials for planar perovskite solar cells with a PCE exceeding 20%","Journal of Materials Chemistry A","2019","7","16","9510","","10.1039/C9TA00654K","","x-ray","0.71073","MoKα","","0.058","0.0485","","","0.1463","0.1542","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237637","12.914","0.0007","22.0318","0.0014","17.9982","0.0014","90","","97.635","0.006","90","","5075.4","0.6","298","","298","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","PDO2","3,7-bis(bis(4-methoxyphenyl)amino)-10-(4-(bis(4-methoxyphenyl)amino)phenyl)-10H-phenothiazine 5,5-dioxide","","- C60 H52 N4 O8 S -","- C60 H52 N4 O8 S -","- C240 H208 N16 O32 S4 -","4","0.5","","Ding, Xingdong; Chen, Cheng; Sun, Linghao; Li, Hongping; Chen, Hong; Su, Jie; Li, Huaming; Li, Henan; Xu, Li; Cheng, Ming","Highly efficient phenothiazine 5,5-dioxide-based hole transport materials for planar perovskite solar cells with a PCE exceeding 20%","Journal of Materials Chemistry A","2019","7","16","9510","","10.1039/C9TA00654K","","","0.71073","MoKα","","0.1123","0.0808","","","0.2294","0.2549","","","","","","1.074","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237638","25.287","0.004","14.2223","0.0018","13.78","0.002","90","","121.338","0.009","90","","4232.8","1.1","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H19 Cl2 Cu N3 O2 -","- C23 H19 Cl2 Cu N3 O2 -","- C184 H152 Cl16 Cu8 N24 O16 -","8","1","","Khavasi, Hamid Reza; Jelokhani, Elham","A copperohydrogel as a chemosensor for selective detection of oxometalate anions in water","Journal of Materials Chemistry A","2019","7","12","6638","","10.1039/C9TA00912D","","","0.71073","MoKα","","0.0711","0.069","","","0.1379","0.1578","","","","","","1.012","","","","has coordinates","238463","2020-10-21","18:00:00",""
"7237639","3.685","0.003","14.638","0.01","11.575","0.008","90","","90.32","0.05","90","","624.4","0.8","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- H8 N6 O3 -","- H8 N6 O3 -","- H32 N24 O12 -","4","1","","Xu, Yuangang; Tian, Lili; Li, Dongxue; Wang, Pengcheng; Lu, Ming","A series of energetic cyclo-pentazolate salts: rapid synthesis, characterization, and promising performance","Journal of Materials Chemistry A","2019","7","20","12468","","10.1039/C9TA01077G","","","0.71073","MoKα","","0.0779","0.0452","","","0.1065","0.1228","","","","","","1.009","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237640","7.835","0.003","6.304","0.002","7.332","0.003","90","","90","","90","","362.1","0.2","150","","150","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- K N5 -","- K N5 -","- K4 N20 -","4","0.5","","Xu, Yuangang; Tian, Lili; Li, Dongxue; Wang, Pengcheng; Lu, Ming","A series of energetic cyclo-pentazolate salts: rapid synthesis, characterization, and promising performance","Journal of Materials Chemistry A","2019","7","20","12468","","10.1039/C9TA01077G","","","0.71073","MoKα","","0.026","0.0246","","","0.0668","0.0676","","","","","","1.089","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237641","6.2136","0.0013","7.7039","0.0016","8.5102","0.0017","71.562","0.004","87.896","0.004","70.411","0.004","363","0.13","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C H8 N10 -","- C H8 N10 -","- C2 H16 N20 -","2","1","","Xu, Yuangang; Tian, Lili; Li, Dongxue; Wang, Pengcheng; Lu, Ming","A series of energetic cyclo-pentazolate salts: rapid synthesis, characterization, and promising performance","Journal of Materials Chemistry A","2019","7","20","12468","","10.1039/C9TA01077G","","","0.71073","MoKα","","0.0444","0.0388","","","0.1151","0.1211","","","","","","1.139","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237642","6.4527","0.0016","12.247","0.003","5.4073","0.0014","90","","97.766","0.006","90","","423.4","0.18","150","","150","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- H5 N7 -","- H5 N7 -","- H20 N28 -","4","1","","Xu, Yuangang; Tian, Lili; Li, Dongxue; Wang, Pengcheng; Lu, Ming","A series of energetic cyclo-pentazolate salts: rapid synthesis, characterization, and promising performance","Journal of Materials Chemistry A","2019","7","20","12468","","10.1039/C9TA01077G","","","0.71073","MoKα","","0.049","0.0406","","","0.0971","0.1008","","","","","","1.116","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237643","3.6171","0.0011","20.792","0.006","10.069","0.003","90","","97.773","0.006","90","","750.3","0.4","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 N10 -","- C2 H8 N10 -","- C8 H32 N40 -","4","1","","Xu, Yuangang; Tian, Lili; Li, Dongxue; Wang, Pengcheng; Lu, Ming","A series of energetic cyclo-pentazolate salts: rapid synthesis, characterization, and promising performance","Journal of Materials Chemistry A","2019","7","20","12468","","10.1039/C9TA01077G","","","0.71073","MoKα","","0.0729","0.0432","","","0.0954","0.1096","","","","","","0.985","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237644","9.399","0.004","3.9543","0.0019","10.362","0.005","90","","90","","90","","385.1","0.3","150","","150","","","","","","","","","2","P c c a","-P 2a 2ac","54","","","","- H4 N6 -","- H4 N6 -","- H16 N24 -","4","0.5","","Xu, Yuangang; Tian, Lili; Li, Dongxue; Wang, Pengcheng; Lu, Ming","A series of energetic cyclo-pentazolate salts: rapid synthesis, characterization, and promising performance","Journal of Materials Chemistry A","2019","7","20","12468","","10.1039/C9TA01077G","","","0.71073","MoKα","","0.0587","0.0497","","","0.1243","0.1354","","","","","","1.072","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237645","5.298","0.002","7.156","0.003","10.106","0.004","100.047","0.008","104.076","0.007","104.089","0.007","349.2","0.2","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C2 H6 N10 -","- C2 H6 N10 -","- C4 H12 N20 -","2","1","","Xu, Yuangang; Tian, Lili; Li, Dongxue; Wang, Pengcheng; Lu, Ming","A series of energetic cyclo-pentazolate salts: rapid synthesis, characterization, and promising performance","Journal of Materials Chemistry A","2019","7","20","12468","","10.1039/C9TA01077G","","","0.71073","MoKα","","0.0704","0.0488","","","0.1237","0.1319","","","","","","1.015","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237646","8.429","0.005","6.861","0.005","11.434","0.008","90","","98.964","0.012","90","","653.2","0.8","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C H7 N9 -","- C H7 N9 -","- C4 H28 N36 -","4","1","","Xu, Yuangang; Tian, Lili; Li, Dongxue; Wang, Pengcheng; Lu, Ming","A series of energetic cyclo-pentazolate salts: rapid synthesis, characterization, and promising performance","Journal of Materials Chemistry A","2019","7","20","12468","","10.1039/C9TA01077G","","","0.71073","MoKα","","0.1129","0.0674","","","0.1831","0.2283","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237647","8.083","0.003","7.141","0.002","16.094","0.005","90","","101.864","0.007","90","","909.1","0.5","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 N13 -","- C3 H7 N13 -","- C12 H28 N52 -","4","1","","Xu, Yuangang; Tian, Lili; Li, Dongxue; Wang, Pengcheng; Lu, Ming","A series of energetic cyclo-pentazolate salts: rapid synthesis, characterization, and promising performance","Journal of Materials Chemistry A","2019","7","20","12468","","10.1039/C9TA01077G","","","0.71073","MoKα","","0.1047","0.0572","","","0.1292","0.1507","","","","","","0.987","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237648","32.798","0.005","8.9632","0.0011","8.6995","0.0012","90","","90","","90","","2557.4","0.6","296","2","296","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C11.96 H31.91 I4 N2 Pb -","- C11.94 H31.88 I4 N2 Pb -","- C47.76 H127.52 I16 N8 Pb4 -","4","0.5","","Jung, Mi-Hee","Hydrophobic perovskites based on an alkylamine compound for high efficiency solar cells with improved environmental stability","Journal of Materials Chemistry A","2019","7","24","14689","","10.1039/C9TA01569H","","","0.7","MoKα","","0.0968","0.0595","","","0.1472","0.1874","","","","","","1.023","","","","has coordinates,has disorder","238468","2020-10-21","18:00:00",""
"7237649","45.458","0.004","8.9432","0.0008","8.8219","0.0007","90","","98.251","0.006","90","","3549.3","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H0 I7 N3 Pb2 -","- C13 I7 N3 Pb2 -","- C52 I28 N12 Pb8 -","4","0.5","","Jung, Mi-Hee","Hydrophobic perovskites based on an alkylamine compound for high efficiency solar cells with improved environmental stability","Journal of Materials Chemistry A","2019","7","24","14689","","10.1039/C9TA01569H","","","0.7","MoKα","","0.145","0.0862","","","0.2221","0.2598","","","","","","1.052","","","","has coordinates","238468","2020-10-21","18:00:00",""
"7237650","28.5014","0.0011","8.8042","0.0004","8.7102","0.0004","90","","91.206","0.004","90","","2185.18","0.16","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H44 I10 N4 Pb3 -","- C14 H44 I10 N4 Pb3 -","- C28 H88 I20 N8 Pb6 -","2","0.5","","Jung, Mi-Hee","Hydrophobic perovskites based on an alkylamine compound for high efficiency solar cells with improved environmental stability","Journal of Materials Chemistry A","2019","7","24","14689","","10.1039/C9TA01569H","","","1.54184","CuKα","","0.297","0.2953","","","0.6309","0.635","","","","","","2.844","","","","has coordinates","238468","2020-10-21","18:00:00",""
"7237651","16.9518","0.0009","17.0056","0.0009","30.0349","0.0014","90","","104.113","0.002","90","","8397","0.7","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C45 H61 Cl4 Co4 Mo8 N O24 S8 -","- C45 H57 Cl4 Co4 Mo8 N O24 S8 -","- C180 H228 Cl16 Co16 Mo32 N4 O96 S32 -","4","1","","Zhang, Min; Chen, Mengwei; Bi, Yanfeng; Huang, Liangliang; Zhou, Kun; Zheng, Zhiping","A bimetallic Co4Mo8 cluster built from Mo8 oxothiomolybdate capped by a Co4-thiacalix[4]arene unit: the observation of the Co‒Mo synergistic effect for binder-free electrocatalysts","Journal of Materials Chemistry A","2019","7","20","12893","","10.1039/C9TA01603A","","","0.71073","MoKα","","0.1102","0.0896","","","0.2467","0.2593","","","","","","1.062","","","","has coordinates","238471","2020-10-21","18:00:00",""
"7237652","9.8591","0.0011","14.9188","0.0015","15.0675","0.0013","112.424","0.009","99.484","0.008","106.304","0.009","1871.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C73 H65 Co2 N11 O17 -","- C73 H65 Co2 N11 O17 -","- C73 H65 Co2 N11 O17 -","1","0.5","","Abazari, Reza; Sanati, Soheila; Morsali, Ali; Slawin, Alexandra M. Z.; Carpenter-Warren, Cameron L.; Chen, Wei; Zheng, Anmin","Ultrafast post-synthetic modification of a pillared cobalt(ii)-based metal‒organic framework via sulfurization of its pores for high-performance supercapacitors","Journal of Materials Chemistry A","2019","7","19","11953","","10.1039/C9TA01628G","","x-ray","0.71073","MoKα","","0.175","0.0906","","","0.202","0.2382","","","","","","1.089","","","","has coordinates","238473","2020-10-21","18:00:00",""
"7237653","6.934","0.0002","12.4025","0.0004","15.5088","0.0004","90","","90","","90","","1333.74","0.07","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C3 H2 N8 O2 -","- C3 H2 N8 O2 -","- C24 H16 N64 O16 -","8","2","","Liu, Yingle; Zhao, Gang; Tang, Yongxing; Zhang, Jichuan; Hu, Lu; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Multipurpose [1,2,4]triazolo[4,3-b][1,2,4,5] tetrazine-based energetic materials","Journal of Materials Chemistry A","2019","7","13","7875","","10.1039/C9TA01717H","","","0.71073","MoKα","","0.0395","0.0298","","","0.0679","0.0719","","","","","","1.032","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237654","7.7496","0.0012","4.9302","0.0008","12.611","0.002","90","","98.872","0.005","90","","476.06","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H4 N12 O3 -","- C3 H4 N12 O3 -","- C6 H8 N24 O6 -","2","1","","Liu, Yingle; Zhao, Gang; Tang, Yongxing; Zhang, Jichuan; Hu, Lu; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Multipurpose [1,2,4]triazolo[4,3-b][1,2,4,5] tetrazine-based energetic materials","Journal of Materials Chemistry A","2019","7","13","7875","","10.1039/C9TA01717H","","","0.71073","MoKα","","0.0682","0.0401","","","0.0788","0.0898","","","","","","1.005","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237655","16.224","0.002","5.5034","0.0007","10.7701","0.0013","90","","125.781","0.003","90","","780.13","0.17","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H5 N9 O3 -","- C3 H5 N9 O3 -","- C12 H20 N36 O12 -","4","1","","Liu, Yingle; Zhao, Gang; Tang, Yongxing; Zhang, Jichuan; Hu, Lu; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Multipurpose [1,2,4]triazolo[4,3-b][1,2,4,5] tetrazine-based energetic materials","Journal of Materials Chemistry A","2019","7","13","7875","","10.1039/C9TA01717H","","","0.71073","MoKα","","0.0441","0.0366","","","0.0876","0.0922","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237656","5.5258","0.0004","6.7155","0.0005","18.0885","0.0014","90","","90","","90","","671.24","0.09","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C3 H2 N10 -","- C3 H2 N10 -","- C12 H8 N40 -","4","1","","Liu, Yingle; Zhao, Gang; Tang, Yongxing; Zhang, Jichuan; Hu, Lu; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Multipurpose [1,2,4]triazolo[4,3-b][1,2,4,5] tetrazine-based energetic materials","Journal of Materials Chemistry A","2019","7","13","7875","","10.1039/C9TA01717H","","","0.71073","MoKα","","0.0356","0.0296","","","0.0726","0.0754","","","","","","1.057","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237657","5.5608","0.0005","18.9684","0.0018","7.5833","0.0007","90","","90.458","0.002","90","","799.86","0.13","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H N11 O2 -","- C3 H N11 O2 -","- C12 H4 N44 O8 -","4","2","","Liu, Yingle; Zhao, Gang; Tang, Yongxing; Zhang, Jichuan; Hu, Lu; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.","Multipurpose [1,2,4]triazolo[4,3-b][1,2,4,5] tetrazine-based energetic materials","Journal of Materials Chemistry A","2019","7","13","7875","","10.1039/C9TA01717H","","","0.71073","MoKα","","0.0507","0.0437","","","0.1091","0.1123","","","","","","1.091","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237658","4.5887","0.0009","27.262","0.005","26.789","0.005","90","","90","","90","","3351.2","1.1","100","2","100","2","","","","","","","","7","C m c 21","C 2c -2","36","MA2Pb3I8 DMSO complex","","","- C6 H24 I8 N2 O2 Pb3 S2 -","- C6 H25 I8 N2 O2 Pb3 S2 -","- C24 H100 I32 N8 O8 Pb12 S8 -","4","0.5","","Ozaki, Masashi; Ishikura, Yasuhisa; Truong, Minh Anh; Liu, Jiewei; Okada, Iku; Tanabe, Taro; Sekimoto, Shun; Ohtsuki, Tsutomu; Murata, Yasujiro; Murdey, Richard; Wakamiya, Atsushi","Iodine-rich mixed composition perovskites optimised for tin(iv) oxide transport layers: the influence of halide ion ratio, annealing time, and ambient air aging on solar cell performance","Journal of Materials Chemistry A","2019","7","28","16947","","10.1039/C9TA02142F","","","0.71073","MoKa","","0.0364","0.0322","","","0.0763","0.0985","","","","","","1.178","","","","has coordinates,has disorder","238477","2020-10-21","18:00:00",""
"7237659","17.6239","0.0012","18.16","0.0012","20.5219","0.0013","90","","101.767","0.006","90","","6430","0.7","173.15","","173.15","","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C57 H43 B F2 N4 O9 Zn2 -","- C57 H43 B F2 N4 O9 Zn2 -","- C228 H172 B4 F8 N16 O36 Zn8 -","4","0.5","","Yang, Heng; Wang, Jinming; Ma, Ji; Yang, Hong; Zhang, Jing; Lv, Kangle; Wen, Lili; Peng, Tianyou","A novel BODIPY-based MOF photocatalyst for efficient visible-light-driven hydrogen evolution","Journal of Materials Chemistry A","2019","7","17","10439","","10.1039/C9TA02357G","","","0.71076","MoKα","","0.093","0.0506","","","0.1069","0.1212","","","","","","1.033","","","","has coordinates,has disorder","238479","2020-10-21","18:00:00",""
"7237660","9.4885","0.0003","10.1789","0.0003","11.6397","0.0004","85.237","0.002","74.922","0.001","77.744","0.001","1060.29","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H36 Cu N6 O8 -","- C14 H36 Cu N6 O8 -","- C28 H72 Cu2 N12 O16 -","2","1","","Zhao, Yawei; Shen, Junyu; Yu, Ze; Hu, Maowei; Liu, Chong; Fan, Jiandong; Han, Hongxian; Hagfeldt, Anders; Wang, Mei; Sun, Licheng","Fine-tuning the coordination atoms of copper redox mediators: an effective strategy for boosting the photovoltage of dye-sensitized solar cells","Journal of Materials Chemistry A","2019","7","20","12808","","10.1039/C9TA02735A","","","0.71073","MoKα","","0.04","0.0384","","","0.1001","0.1013","","","","","","1.014","","","","has coordinates","238481","2020-10-21","18:00:00",""
"7237661","12.8692","0.0017","14.15","0.0018","10.846","0.0014","90","","90","","90","","1975","0.4","296","2","296","2","","","","","","","","7","A m a 2","A 2 -2a","40","","","","- C10 H21 B2 Cu F8 O S4 -","- C10 H21 B2 Cu F8 O S4 -","- C40 H84 B8 Cu4 F32 O4 S16 -","4","0.5","","Zhao, Yawei; Shen, Junyu; Yu, Ze; Hu, Maowei; Liu, Chong; Fan, Jiandong; Han, Hongxian; Hagfeldt, Anders; Wang, Mei; Sun, Licheng","Fine-tuning the coordination atoms of copper redox mediators: an effective strategy for boosting the photovoltage of dye-sensitized solar cells","Journal of Materials Chemistry A","2019","7","20","12808","","10.1039/C9TA02735A","","","0.71073","MoKα","","0.0436","0.043","","","0.1077","0.1081","","","","","","1.049","","","","has coordinates","238481","2020-10-21","18:00:00",""
"7237662","10.85","0.0007","10.85","0.0007","9.2239","0.0006","90","","90","","90","","1085.86","0.12","100","2","100.15","","","","","","","","","5","P 4/m m m","-P 4 2","123","","","","- C30 H36 N2 Ni2 O8 -","- C30 H36 N2 Ni2 O8 -","- C30 H36 N2 Ni2 O8 -","1","0.0625","","Wang, Xun; Niu, Zheng; Al-Enizi, Abdullah M.; Nafady, Ayman; Wu, Yufang; Aguila, Briana; Verma, Gaurav; Wojtas, Lukasz; Chen, Yu-Sheng; Li, Zhong; Ma, Shengqian","Pore environment engineering in metal‒organic frameworks for efficient ethane/ethylene separation","Journal of Materials Chemistry A","2019","7","22","13585","","10.1039/C9TA02822F","","","0.41328","synchrotron","","0.0465","0.0388","","","0.1203","0.123","","","","","","1.143","","","","has coordinates,has disorder","238483","2020-10-21","18:00:00",""
"7237663","32.9862","0.0002","32.9862","0.0002","32.9862","0.0002","90","","90","","90","","35891.9","0.4","293","2","293","2","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","","","- C48 H28 N4 O16 Zr3 -","- C48 H28 N4 O16 Zr3 -","- C576 H336 N48 O192 Zr36 -","12","0.25","","Guo, Bingbing; Li, Fugang; Wang, Chiming; Zhang, Liangliang; Sun, Daofeng","A rare (3,12)-connected zirconium metal‒organic framework with efficient iodine adsorption capacity and pH sensing","Journal of Materials Chemistry A","2019","7","21","13173","","10.1039/C9TA03126J","","","1.54184","CuKα","","0.1183","0.0857","","","0.23","0.2761","","","","","","1.031","","","","has coordinates,has disorder","238485","2020-10-21","18:00:00",""
"7237664","16.1173","0.0007","16.1173","0.0007","13.9126","0.0007","90","","90","","120","","3129.8","0.2","293","2","293","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C53 H32 N6 O12 -","- C53 H28 N6 O12 -","- C159 H84 N18 O36 -","3","0.25","","Guo, Bingbing; Li, Fugang; Wang, Chiming; Zhang, Liangliang; Sun, Daofeng","A rare (3,12)-connected zirconium metal‒organic framework with efficient iodine adsorption capacity and pH sensing","Journal of Materials Chemistry A","2019","7","21","13173","","10.1039/C9TA03126J","","","1.54184","CuKα","","0.0459","0.0432","","","0.1172","0.1199","","","","","","1.108","","","","has coordinates","238485","2020-10-21","18:00:00",""
"7237665","4.1673","0.0002","25.707","0.002","18.2223","0.0009","90","","90","","90","","1952.1","0.2","106.6","0.2","106.6","0.2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H4 N O6 Pb -","- C9 H4 N O6 Pb -","- C72 H32 N8 O48 Pb8 -","8","1","","Pournara, Anastasia D.; Margariti, Antigoni; Tarlas, Georgios D.; Kourtelaris, Andreas; Petkov, Valeri; Kokkinos, Christos; Economou, Anastasios; Papaefstathiou, Giannis S.; Manos, Manolis J.","A Ca2+ MOF combining highly efficient sorption and capability for voltammetric determination of heavy metal ions in aqueous media","Journal of Materials Chemistry A","2019","7","25","15432","","10.1039/C9TA03337H","","","1.54184","CuKα","","0.1134","0.087","","","0.2808","0.3049","","","","","","1.142","","","","has coordinates,has disorder","238487","2020-10-21","18:00:00",""
"7237666","21.728","0.0009","10.3246","0.0004","13.1378","0.0005","90","","98.983","0.004","90","","2911.1","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N4 Ni O16 -","- C24 H20 N4 Ni O16 -","- C96 H80 N16 Ni4 O64 -","4","0.5","","Pournara, Anastasia D.; Margariti, Antigoni; Tarlas, Georgios D.; Kourtelaris, Andreas; Petkov, Valeri; Kokkinos, Christos; Economou, Anastasios; Papaefstathiou, Giannis S.; Manos, Manolis J.","A Ca2+ MOF combining highly efficient sorption and capability for voltammetric determination of heavy metal ions in aqueous media","Journal of Materials Chemistry A","2019","7","25","15432","","10.1039/C9TA03337H","","","1.54184","CuKα","","0.0551","0.0479","","","0.1426","0.1508","","","","","","1.064","","","","has coordinates","238487","2020-10-21","18:00:00",""
"7237667","17.635","0.0015","22.345","0.002","22.944","0.002","90","","90","","90","","9041.2","1.4","150","2","150","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C21 H15 N2 O5 Zn -","- C21 H15 N2 O5 Zn -","- C336 H240 N32 O80 Zn16 -","16","1","","Rouhani, Farzaneh; Rafizadeh-Masuleh, Fatemeh; Morsali, Ali","Selective sacrificial metal‒organic frameworks: a highly quantitative colorimetric naked-eye detector for aluminum ions in aqueous solutions","Journal of Materials Chemistry A","2019","7","31","18634","","10.1039/C9TA03647D","","","0.71073","MoKα","","0.0719","0.0448","","","0.108","0.1323","","","","","","1.103","","","","has coordinates","238489","2020-10-21","18:00:00",""
"7237668","11.545","0.004","10.663","0.003","13.185","0.004","90","","90","","90","","1623.1","0.9","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C3 H6 N6 O6 -","- C3 H6 N6 O6 -","- C24 H48 N48 O48 -","8","1","","Yan, Qi-Long; Yang, Zhijian; Zhang, Xue-Xue; Lyu, Jie-Yao; He, Wei; Huang, Shi; Liu, Pei-Jin; Zhang, Chaoyang; Zhang, Qing-Hua; He, Guo-Qiang; Nie, Fu-De","High density assembly of energetic molecules under the constraint of defected 2D materials","Journal of Materials Chemistry A","2019","7","30","17806","","10.1039/C9TA03990B","","","0.71073","MoKα","","0.0416","0.0357","","","0.1029","0.1084","","","","","","1.108","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237669","6.527","0.005","10.926","0.007","7.335","0.005","90","","102.5","0.02","90","","510.7","0.6","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C4 H8 N8 O8 -","- C4 H8 N8 O8 -","- C8 H16 N16 O16 -","2","0.5","","Yan, Qi-Long; Yang, Zhijian; Zhang, Xue-Xue; Lyu, Jie-Yao; He, Wei; Huang, Shi; Liu, Pei-Jin; Zhang, Chaoyang; Zhang, Qing-Hua; He, Guo-Qiang; Nie, Fu-De","High density assembly of energetic molecules under the constraint of defected 2D materials","Journal of Materials Chemistry A","2019","7","30","17806","","10.1039/C9TA03990B","","","0.71073","MoKα","","0.0434","0.0385","","","0.1013","0.1071","","","","","","1.112","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237670","17.062","0.006","19.825","0.007","18.808","0.007","90","","90.297","0.005","90","","6362","4","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H33 Bi Cu I8 N4 O0.5 -","- C12 H33 Bi Cu I8 N4 O0.5 -","- C96 H264 Bi8 Cu8 I64 N32 O4 -","8","2","","Bi, Le-Yu; Hu, Yue-Qiao; Li, Mu-Qing; Hu, Tian-Li; Zhang, Hao-Lan; Yin, Xing-Tian; Que, Wen-Xiu; Lassoued, Mohamed Saber; Zheng, Yan-Zhen","Two-dimensional lead-free iodide-based hybrid double perovskites: crystal growth, thin-film preparation and photocurrent responses","Journal of Materials Chemistry A","2019","7","34","19662","","10.1039/C9TA04325J","","","0.71073","MoKα","","0.0686","0.0438","","","0.088","0.0974","","","","","","1.027","","","","has coordinates,has disorder","238493","2020-10-21","18:00:00",""
"7237671","8.556","0.006","19.504","0.015","19.181","0.014","90","","93.488","0.011","90","","3195","4","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H34 Ag Bi I8 N4 O -","- C12 H34 Ag Bi I8 N4 O -","- C48 H136 Ag4 Bi4 I32 N16 O4 -","4","1","","Bi, Le-Yu; Hu, Yue-Qiao; Li, Mu-Qing; Hu, Tian-Li; Zhang, Hao-Lan; Yin, Xing-Tian; Que, Wen-Xiu; Lassoued, Mohamed Saber; Zheng, Yan-Zhen","Two-dimensional lead-free iodide-based hybrid double perovskites: crystal growth, thin-film preparation and photocurrent responses","Journal of Materials Chemistry A","2019","7","34","19662","","10.1039/C9TA04325J","","","0.71073","MoKα","","0.1455","0.0982","","","0.2395","0.2743","","","","","","1.031","","","","has coordinates","238495","2020-10-21","18:00:00",""
"7237672","14.128","0.007","14.696","0.008","7.415","0.004","90","","98.866","0.014","90","","1521.1","1.4","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C4 H7 N6 O5 -","- C4 H7 N6 O5 -","- C32 H56 N48 O40 -","8","1","","Wang, Yi; Song, Siwei; Huang, Chuan; Qi, Xiujuan; Wang, Kangcai; Liu, Yuji; Zhang, Qinghua","Hunting for advanced high-energy-density materials with well-balanced energy and safety through an energetic host‒guest inclusion strategy","Journal of Materials Chemistry A","2019","7","33","19248","","10.1039/C9TA04677A","","","0.71073","MoKα","","0.0718","0.0535","","","0.1555","0.1903","","","","","","1.121","","","","has coordinates,has disorder","238497","2020-10-21","18:00:00",""
"7237673","12.41","0.002","9.959","0.0019","16.305","0.003","90","","90","","90","","2015.2","0.6","173","","173","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H7 Cl N6 O8 -","- C4 H7 Cl N6 O8 -","- C32 H56 Cl8 N48 O64 -","8","1","","Wang, Yi; Song, Siwei; Huang, Chuan; Qi, Xiujuan; Wang, Kangcai; Liu, Yuji; Zhang, Qinghua","Hunting for advanced high-energy-density materials with well-balanced energy and safety through an energetic host–guest inclusion strategy","Journal of Materials Chemistry A","2019","7","33","19248","","10.1039/C9TA04677A","","","0.71073","MoKα","","0.0685","0.0456","","","0.1001","0.1124","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237674","11.239","0.003","11.869","0.003","13.511","0.003","90","","90","","90","","1802.3","0.8","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H7 N7 O7 -","- C4 H7 N7 O7 -","- C32 H56 N56 O56 -","8","1","","Wang, Yi; Song, Siwei; Huang, Chuan; Qi, Xiujuan; Wang, Kangcai; Liu, Yuji; Zhang, Qinghua","Hunting for advanced high-energy-density materials with well-balanced energy and safety through an energetic host‒guest inclusion strategy","Journal of Materials Chemistry A","2019","7","33","19248","","10.1039/C9TA04677A","","","0.71073","MoKα","","0.0625","0.0447","","","0.1137","0.1268","","","","","","1.042","","","","has coordinates","238497","2020-10-21","18:00:00",""
"7237675","26.697","0.008","11.981","0.003","22.084","0.004","90","","92.738","0.016","90","","7056","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","BIF-95-Co","","","- C43 H36 B2 Co3 N14 O17 -","- C43 H36 B2 Co3 N14 O17 -","- C172 H144 B8 Co12 N56 O68 -","4","0.5","","Hong, Qin-Long; Zhang, Hai-Xia; Zhang, Jian","Synthesis of boron imidazolate frameworks with cobalt clusters for efficient visible-light driven CO2 reduction","Journal of Materials Chemistry A","2019","7","29","17272","","10.1039/C9TA04842A","","","0.71073","MoKα","","0.1818","0.123","","","0.3277","0.3714","","","","","","1.114","","","","has coordinates","238499","2020-10-21","18:00:00",""
"7237676","6","0.002","7.988","0.003","8.967","0.004","75.72","0.014","76.573","0.014","88.048","0.012","405","0.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","TKU-1","","- C14 H14 Cu N4 O6 -","- C14 H14 Cu N4 O6 -","- C14 H14 Cu N4 O6 -","1","0.5","","Chang, Cheng-Han; Li, An-Che; Popovs, Ilja; Kaveevivitchai, Watchareeya; Chen, Jeng-Lung; Chou, Kai-Chun; Kuo, Ting-Shen; Chen, Teng-Hao","Elucidating metal and ligand redox activities of a copper-benzoquinoid coordination polymer as the cathode for lithium-ion batteries","Journal of Materials Chemistry A","2019","7","41","23770","","10.1039/C9TA05244E","","","0.71073","MoKα","","0.0255","0.0237","","","0.0595","0.0605","","","","","","1.092","","","","has coordinates","238501","2020-10-21","18:00:00",""
"7237677","22.753","0.003","15.3561","0.0019","24.772","0.003","90","","108.32","0.009","90","","8216.6","1.8","100.15","0","100.15","0","","","","","","","","5","I 1 2/a 1","-I 2ya","15","i-PCM-1","","","- C34 H33 N2 O10.25 P -","- C34.0003 H30.0007 N2.0001 O10.2501 P -","- C272.002 H240.006 N16.0008 O82.0008 P8 -","8","1","","Reynolds, Joseph E.; Bohnsack, Alisha M.; Kristek, David J.; Gutiérrez-Alejandre, Aída; Dunning, Samuel G.; Waggoner, Nolan W.; Sikma, R. Eric; Ibarra, Ilich A.; Humphrey, Simon M.","Phosphonium zwitterions for lighter and chemically-robust MOFs: highly reversible H2S capture and solvent-triggered release","Journal of Materials Chemistry A","2019","7","28","16842","","10.1039/C9TA05444H","","","0.71073","MoKα","","0.1963","0.1432","","","0.3522","0.3959","","","","","","1.027","","","","has coordinates","238503","2020-10-21","18:00:00",""
"7237678","17.2729","0.0004","17.2729","0.0004","16.1689","0.0006","90","","90","","90","","4824","0.2","100","2","100","2","","","","","","","","5","I -4","I -4","82","PCM-66","","","- C28 H16 In O8 P -","- C28 H16 In O8 P -","- C224 H128 In8 O64 P8 -","8","1","","Reynolds, Joseph E.; Bohnsack, Alisha M.; Kristek, David J.; Gutiérrez-Alejandre, Aída; Dunning, Samuel G.; Waggoner, Nolan W.; Sikma, R. Eric; Ibarra, Ilich A.; Humphrey, Simon M.","Phosphonium zwitterions for lighter and chemically-robust MOFs: highly reversible H2S capture and solvent-triggered release","Journal of Materials Chemistry A","2019","7","28","16842","","10.1039/C9TA05444H","","x-ray","1.54184","CuKα","","0.0526","0.0438","","","0.1147","0.1345","","","","","","1.005","","","","has coordinates","288248","2023-12-12","12:55:28",""
"7237679","29.3448","0.0004","23.6598","0.0004","24.6552","0.0003","90","","90","","90","","17117.9","0.4","100","0.5","100","0.5","","","","","","","","6","I b c a","-I 2b 2c","73","PCM-75","","","- C62 H54 Mg3 N2 O21 P2 -","- C62.068 H46 Mg3 N2 O21 P2 -","- C496.544 H368 Mg24 N16 O168 P16 -","8","0.5","","Reynolds, Joseph E.; Bohnsack, Alisha M.; Kristek, David J.; Gutiérrez-Alejandre, Aída; Dunning, Samuel G.; Waggoner, Nolan W.; Sikma, R. Eric; Ibarra, Ilich A.; Humphrey, Simon M.","Phosphonium zwitterions for lighter and chemically-robust MOFs: highly reversible H2S capture and solvent-triggered release","Journal of Materials Chemistry A","2019","7","28","16842","","10.1039/C9TA05444H","","","1.54184","CuKα","","0.0778","0.0752","","","0.2355","0.2383","","","","","","1.05","","","","has coordinates,has disorder","238503","2020-10-21","18:00:00",""
"7237680","6.2918","0.0004","15.1309","0.0009","7.2767","0.0004","90","","103.211","0.0006","90","","674.41","0.07","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C2 H2 Cd N2 O S3 -","- C2 Cd N2 O S3 -","- C8 Cd4 N8 O4 S12 -","4","1","","Dong, Dapeng; Yan, Chaoxiong; Huang, Jindou; Lu, Na; Wu, Pengyan; Wang, Jian; Zhang, Zhenyi","An electron-donating strategy to guide the construction of MOF photocatalysts toward co-catalyst-free highly efficient photocatalytic H2 evolution","Journal of Materials Chemistry A","2019","7","42","24180","","10.1039/C9TA06141J","","","0.71073","MoKα","","0.0166","0.0162","","","0.0432","0.0434","","","","","","1.002","","","","has coordinates","238505","2020-10-21","18:00:00",""
"7237681","10.7038","0.001","13.7718","0.0013","7.7097","0.0007","90","","100.76","0.001","90","","1116.51","0.18","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C2 Cd N2 S3 -","- C2 Cd N2 S3 -","- C16 Cd8 N16 S24 -","8","1","","Dong, Dapeng; Yan, Chaoxiong; Huang, Jindou; Lu, Na; Wu, Pengyan; Wang, Jian; Zhang, Zhenyi","An electron-donating strategy to guide the construction of MOF photocatalysts toward co-catalyst-free highly efficient photocatalytic H2 evolution","Journal of Materials Chemistry A","2019","7","42","24180","","10.1039/C9TA06141J","","","0.71073","MoKα","","0.0163","0.0151","","","0.0385","0.0393","","","","","","1.027","","","","has coordinates","238505","2020-10-21","18:00:00",""
"7237682","13.865","0.0004","18.805","0.0005","19.2331","0.0005","61.953","0.003","87.914","0.002","84.292","0.002","4403.5","0.2","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C81 H95 B24 N15 Ni2 O4 -","- C81 H95 B24 N15 Ni2 O4 -","- C162 H190 B48 N30 Ni4 O8 -","2","1","","Zhao, Xue; Yao, Chen; Chen, Hao; Fu, Yunfan; Xiang, Changjun; He, Suhang; Zhou, Xiaohai; Zhang, Haibo","In situ nano Au triggered by a metal boron organic polymer: efficient electrochemical N2 fixation to NH3 under ambient conditions","Journal of Materials Chemistry A","2019","7","36","20945","","10.1039/C9TA06573C","","x-ray","1.54184","CuKα","","0.0638","0.0549","","","0.1509","0.1613","","","","","","1.033","","","","has coordinates,has disorder","238507","2020-10-21","18:00:00",""
"7237683","13.657","0.002","15.099","0.003","17.129","0.003","69.483","0.002","71.932","0.002","74.038","0.002","3089.6","0.9","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H54 N14 O12 Zn2 -","- C52 H53 N14 O12 Zn2 -","- C104 H106 N28 O24 Zn4 -","2","1","","Goswami, Ranadip; Mandal, Shyama Charan; Seal, Nilanjan; Pathak, Biswarup; Neogi, Subhadip","Antibiotic-triggered reversible luminescence switching in amine-grafted mixed-linker MOF: exceptional turn-on and ultrafast nanomolar detection of sulfadiazine and adenosine monophosphate with molecular keypad lock functionality","Journal of Materials Chemistry A","2019","7","33","19471","","10.1039/C9TA06632B","","","0.71073","MoKα","","0.0876","0.0652","","","0.178","0.1887","","","","","","1.061","","","","has coordinates","238510","2020-10-21","18:00:00",""
"7237684","18.47","0.02","18.39","0.02","9.311","0.012","90","","98.72","0.015","90","","3126","6","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","DUT-8(Ni)-heptane","","- C30 H24 N2 Ni2 O8 -","- C30 H24 N2 Ni2 O8 -","- C60 H48 N4 Ni4 O16 -","2","0.25","","Ehrling, Sebastian; Senkovska, Irena; Bon, Volodymyr; Evans, Jack D.; Petkov, Petko; Krupskaya, Yulia; Kataev, Vladislav; Wulf, Toshiki; Krylov, Alexander; Vtyurin, Alexander; Krylova, Svetlana; Adichtchev, Sergey; Slyusareva, Evgenia; Weiss, Manfred S.; Büchner, Bernd; Heine, Thomas; Kaskel, Stefan","Crystal size versus paddle wheel deformability: selective gated adsorption transitions of the switchable metal‒organic frameworks DUT-8(Co) and DUT-8(Ni)","Journal of Materials Chemistry A","2019","7","37","21459","","10.1039/C9TA06781G","","","0.71073","MoKα","","0.2037","0.1299","","","0.341","0.3917","","","","","","1.235","","","","has coordinates","238512","2020-10-21","18:00:00",""
"7237685","18.72","0.004","18.34","0.004","9.49","0.0019","90","","101.77","0.03","90","","3189.6","1.2","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","DUT-8(Co)-heptan","","- C30 H24 Co2 N2 O8 -","- C30 H24 Co2 N2 O8 -","- C60 H48 Co4 N4 O16 -","2","0.25","","Ehrling, Sebastian; Senkovska, Irena; Bon, Volodymyr; Evans, Jack D.; Petkov, Petko; Krupskaya, Yulia; Kataev, Vladislav; Wulf, Toshiki; Krylov, Alexander; Vtyurin, Alexander; Krylova, Svetlana; Adichtchev, Sergey; Slyusareva, Evgenia; Weiss, Manfred S.; Büchner, Bernd; Heine, Thomas; Kaskel, Stefan","Crystal size versus paddle wheel deformability: selective gated adsorption transitions of the switchable metal‒organic frameworks DUT-8(Co) and DUT-8(Ni)","Journal of Materials Chemistry A","2019","7","37","21459","","10.1039/C9TA06781G","","x-ray","0.89495","synchrotron","","0.1012","0.0956","","","0.2724","0.2862","","","","","","1.107","","","","has coordinates","238514","2020-10-21","18:00:00",""
"7237686","19.636","0.002","16.5479","0.0017","28.621","0.003","90","","91.415","0.005","90","","9297.1","1.7","173","2","173.15","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C86 H66 B2 Cd2 F4 N8 O8 -","- C86 H66 B2 Cd2 F4 N8 O8 -","- C344 H264 B8 Cd8 F16 N32 O32 -","4","1","","Yang, Heng; Zhao, Ming; Zhang, Jing; Ma, Ji; Wu, Pengyan; Liu, Wenlong; Wen, Lili","A noble-metal-free photocatalyst system obtained using BODIPY-based MOFs for highly efficient visible-light-driven H2 evolution","Journal of Materials Chemistry A","2019","7","36","20742","","10.1039/C9TA06989E","","","0.71076","MoKα","","0.1951","0.137","","","0.3291","0.3631","","","","","","1.088","","","","has coordinates","238516","2020-10-21","18:00:00",""
"7237687","34.889","0.002","18.9695","0.0014","28.1751","0.0016","90","","103.243","0.002","90","","18151","2","173","2","173.1","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C86 H66 B2 Cd2 F4 N8 O12 S2 -","- C86 H66 B2 Cd2 F4 N8 O12 S2 -","- C688 H528 B16 Cd16 F32 N64 O96 S16 -","8","1","","Yang, Heng; Zhao, Ming; Zhang, Jing; Ma, Ji; Wu, Pengyan; Liu, Wenlong; Wen, Lili","A noble-metal-free photocatalyst system obtained using BODIPY-based MOFs for highly efficient visible-light-driven H2 evolution","Journal of Materials Chemistry A","2019","7","36","20742","","10.1039/C9TA06989E","","","0.71073","MoKα","","0.1599","0.0944","","","0.1906","0.2246","","","","","","1.022","","","","has coordinates","238516","2020-10-21","18:00:00",""
"7237688","39.7902","0.0006","39.7902","0.0006","39.7902","0.0006","90","","90","","90","","62998.2","1.6","293","2","293","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C448 H160 Cu48 N56 O216 -","- C447.998 H159.998 Cu48 N56.0016 O216 -","- C895.997 H319.997 Cu96 N112.003 O432 -","2","0.0104167","","Wu, Xue-Qian; Xie, Yabo; Liu, Jing-Hao; He, Tao; Zhang, Yong-Zheng; Yu, Jiamei; Kong, Xiang-Jing; Li, Jian-Rong","Integrating multiple adsorption sites and tortuous diffusion paths into a metal‒organic framework for C3H4/C3H6 separation","Journal of Materials Chemistry A","2019","7","44","25254","","10.1039/C9TA07278K","","","1.54184","CuKα","","0.1007","0.0815","","","0.2718","0.2876","","","","","","1.042","","","","has coordinates","238518","2020-10-21","18:00:00",""
"7237689","7.984","0.0003","25.0632","0.0007","21.8464","0.0006","90","","91.161","0.003","90","","4370.7","0.2","190","2","190","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 Bi2 Cl10 N4 -","- C32 H48 Bi2 Cl10 N4 -","- C128 H192 Bi8 Cl40 N16 -","4","1","","Ghasemi, Mehri; Lyu, Miaoqiang; Roknuzzaman, Md; Yun, Jung-Ho; Hao, Mengmeng; He, Dongxu; Bai, Yang; Chen, Peng; Bernhardt, Paul V.; Ostrikov, Kostya (Ken); Wang, Lianzhou","Phenethylammonium bismuth halides: from single crystals to bulky-organic cation promoted thin-film deposition for potential optoelectronic applications","Journal of Materials Chemistry A","2019","7","36","20733","","10.1039/C9TA07454F","","x-ray","1.54184","CuKα","","0.0442","0.0332","","","0.0722","0.0781","","","","","","1.018","","","","has coordinates,has disorder","238521","2020-10-21","18:00:00",""
"7237690","14.5891","0.0004","20.4834","0.0004","15.7858","0.0004","90","","113.03","0.003","90","","4341.4","0.2","190","2","190","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Bi2 I9 N3 -","- C24 H36 Bi2 I9 N3 -","- C96 H144 Bi8 I36 N12 -","4","1","","Ghasemi, Mehri; Lyu, Miaoqiang; Roknuzzaman, Md; Yun, Jung-Ho; Hao, Mengmeng; He, Dongxu; Bai, Yang; Chen, Peng; Bernhardt, Paul V.; Ostrikov, Kostya (Ken); Wang, Lianzhou","Phenethylammonium bismuth halides: from single crystals to bulky-organic cation promoted thin-film deposition for potential optoelectronic applications","Journal of Materials Chemistry A","2019","7","36","20733","","10.1039/C9TA07454F","","x-ray","0.71073","MoKα","","0.0463","0.034","","","0.0639","0.069","","","","","","1.02","","","","has coordinates","238523","2020-10-21","18:00:00",""
"7237691","14.0039","0.0002","19.5707","0.0002","15.5528","0.0003","90","","115.492","0.002","90","","3847.52","0.12","190","2","190","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Bi2 Br9 N3 -","- C24 H36 Bi2 Br9 N3 -","- C96 H144 Bi8 Br36 N12 -","4","1","","Ghasemi, Mehri; Lyu, Miaoqiang; Roknuzzaman, Md; Yun, Jung-Ho; Hao, Mengmeng; He, Dongxu; Bai, Yang; Chen, Peng; Bernhardt, Paul V.; Ostrikov, Kostya (Ken); Wang, Lianzhou","Phenethylammonium bismuth halides: from single crystals to bulky-organic cation promoted thin-film deposition for potential optoelectronic applications","Journal of Materials Chemistry A","2019","7","36","20733","","10.1039/C9TA07454F","","x-ray","1.54184","CuKα","","0.0401","0.0375","","","0.1088","0.1111","","","","","","1.137","","","","has coordinates","238525","2020-10-21","18:00:00",""
"7237692","8.6297","0.0003","15.3157","0.0005","18.4968","0.0006","90","","90","","90","","2444.72","0.14","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H35 Cl2 Ir N2 O3 Si -","- C20 H35 Cl2 Ir N2 O3 Si -","- C80 H140 Cl8 Ir4 N8 O12 Si4 -","4","1","","Yan, Ning; Detz, Remko J.; Govindarajan, Nitish; Koelewijn, Jacobus M.; Hua, Bin; Li, Peng; Meijer, Evert Jan; Reek, Joost N. H.","Selective surface functionalization generating site-isolated Ir on a MnOx/N-doped carbon composite for robust electrocatalytic water oxidation","Journal of Materials Chemistry A","2019","7","40","23098","","10.1039/C9TA08447A","","","0.71073","MoKα","","0.0143","0.0129","","","0.0306","0.0313","","","","","","1.084","","","","has coordinates","238528","2020-10-21","18:00:00",""
"7237693","35.9998","0.001","35.9998","0.001","7.8373","0.0004","90","","90","","120","","8796.2","0.6","180","2","180","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C12.54 H13.94 Ag F5 N4.85 O2.85 S -","- C12.544 H13.936 Ag F5 N4.848 O2.848 S -","- C225.792 H250.848 Ag18 F90 N87.264 O51.264 S18 -","18","1","","Chang, Zhiduo; Lin, Rui-Biao; Ye, Yingxiang; Duan, Chunying; Chen, Banglin","Construction of a thiourea-based metal‒organic framework with open Ag+ sites for the separation of propene/propane mixtures","Journal of Materials Chemistry A","2019","7","44","25567","","10.1039/C9TA08614E","","","0.71073","MoKα","","0.0925","0.0791","","","0.2427","0.2572","","","","","","1.056","","","","has coordinates,has disorder","238530","2020-10-21","18:00:00",""
"7237694","16.13","0.003","14.858","0.004","14.836","0.003","90","","106.804","0.004","90","","3403.8","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 Cl3 N6 O2 -","- C33 H35 Cl3 N6 O2 -","- C132 H140 Cl12 N24 O8 -","4","1","","Ma, Siyue; Qiang, Jiabao; Li, Linyang; Mo, Yan; She, Mengyao; Yang, Zheng; Liu, Ping; Zhang, Shengyong; Li, Jianli","An efficient biosensor for monitoring Alzheimer's disease risk factors: modulation and disaggregation of the Aβ aggregation process","Journal of Materials Chemistry B","2019","7","26","4124","","10.1039/C9TB00291J","","","0.71073","MoKα","","0.1983","0.0928","","","0.249","0.3188","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237695","7.863","0.002","12.769","0.004","16.939","0.005","90","","90","","90","","1700.7","0.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 B F2 N2 O -","- C18 H21 B F2 N2 O -","- C72 H84 B4 F8 N8 O4 -","4","1","","Shao, Tao; Liu, Tianyan; Liu, Hui; Zhang, Mingzhu; Shen, Yu; Gao, Awei; Tian, Xiaohe; Zhang, Qiong; Wu, Jieying; Tian, Yupeng","Identification of fatty liver disease at diverse stages using two-photon absorption of triphenylamine-based BODIPY analogues","Journal of Materials Chemistry B","2019","7","23","3704","","10.1039/C9TB00421A","","","0.71073","MoKα","","0.0463","0.0356","","","0.0796","0.0831","","","","","","1.201","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237696","10.8533","0.0014","11.2855","0.0015","15.709","0.002","101.368","0.002","91.808","0.002","96.518","0.002","1871.3","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H21 B F2 N2 O -","- C21 H21 B F2 N2 O -","- C84 H84 B4 F8 N8 O4 -","4","2","","Shao, Tao; Liu, Tianyan; Liu, Hui; Zhang, Mingzhu; Shen, Yu; Gao, Awei; Tian, Xiaohe; Zhang, Qiong; Wu, Jieying; Tian, Yupeng","Identification of fatty liver disease at diverse stages using two-photon absorption of triphenylamine-based BODIPY analogues","Journal of Materials Chemistry B","2019","7","23","3704","","10.1039/C9TB00421A","","","0.71073","MoKα","","0.0763","0.0565","","","0.1632","0.1835","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237697","18.2037","0.0007","18.807","0.0007","18.1095","0.0006","90","","116.993","0.0019","90","","5524.5","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H56 B Cu N2 P2 -","- C74 H56 B Cu N2 P2 -","- C296 H224 B4 Cu4 N8 P8 -","4","0.5","","Mondal, Rajarshi; Lozada, Issiah B.; Davis, Rebecca L.; Williams, J. A. Gareth; Herbert, David E.","Exploiting synergy between ligand design and counterion interactions to boost room temperature phosphorescence from Cu(i) compounds","Journal of Materials Chemistry C","2019","7","13","3772","","10.1039/C9TC00040B","","","0.71073","MoKα","","0.0892","0.049","","","0.1274","0.1559","","","","","","1.005","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237698","12.3597","0.0008","13.5264","0.0009","14.5021","0.0009","80.78","0.003","89.069","0.003","88.363","0.003","2392","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H46 Br2 Cl2 Cu2 N2 P2 -","- C55 H46 Br2 Cl2 Cu2 N2 P2 -","- C110 H92 Br4 Cl4 Cu4 N4 P4 -","2","1","","Mondal, Rajarshi; Lozada, Issiah B.; Davis, Rebecca L.; Williams, J. A. Gareth; Herbert, David E.","Exploiting synergy between ligand design and counterion interactions to boost room temperature phosphorescence from Cu(i) compounds","Journal of Materials Chemistry C","2019","7","13","3772","","10.1039/C9TC00040B","","","0.71073","MoKα","","0.0449","0.0291","","","0.0584","0.065","","","","","","1.033","","","","has coordinates","238538","2020-10-21","18:00:00",""
"7237699","11.975","0.0007","14.264","0.0009","14.6788","0.0009","79.362","0.003","77.748","0.003","88.708","0.003","2407.7","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","bis(4-diphenylphosphinophenanthridine)copper(I) hexafluorophosphate","","","- C51 H38 Cl2 Cu F6 N2 P3 -","- C51 H38 Cl2 Cu F6 N2 P3 -","- C102 H76 Cl4 Cu2 F12 N4 P6 -","2","1","","Mondal, Rajarshi; Lozada, Issiah B.; Davis, Rebecca L.; Williams, J. A. Gareth; Herbert, David E.","Exploiting synergy between ligand design and counterion interactions to boost room temperature phosphorescence from Cu(i) compounds","Journal of Materials Chemistry C","2019","7","13","3772","","10.1039/C9TC00040B","","","0.71073","MoKα","","0.066","0.0463","","","0.1156","0.1254","","","","","","1.062","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237700","11.749","0.0004","16.2954","0.0006","17.8418","0.0006","66.5173","0.0019","87.826","0.002","88.676","0.002","3130.62","0.19","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H32 B0.5 Cu0.5 N P -","- C39 H32 B0.5 Cu0.5 N P -","- C156 H128 B2 Cu2 N4 P4 -","4","2","","Mondal, Rajarshi; Lozada, Issiah B.; Davis, Rebecca L.; Williams, J. A. Gareth; Herbert, David E.","Exploiting synergy between ligand design and counterion interactions to boost room temperature phosphorescence from Cu(i) compounds","Journal of Materials Chemistry C","2019","7","13","3772","","10.1039/C9TC00040B","","","0.71073","MoKα","","0.1032","0.0501","","","0.1141","0.14","","","","","","1.062","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237701","13.9292","0.0006","18.462","0.0008","25.8326","0.0012","107.47","0.003","95.171","0.003","107.158","0.003","5937.2","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C76.5 H61 B Cl Cu N2 P2 -","- C76.5 H61 B Cl Cu N2 P2 -","- C306 H244 B4 Cl4 Cu4 N8 P8 -","4","2","","Mondal, Rajarshi; Lozada, Issiah B.; Davis, Rebecca L.; Williams, J. A. Gareth; Herbert, David E.","Exploiting synergy between ligand design and counterion interactions to boost room temperature phosphorescence from Cu(i) compounds","Journal of Materials Chemistry C","2019","7","13","3772","","10.1039/C9TC00040B","","","0.71073","MoKα","","0.15","0.0596","","","0.1157","0.1528","","","","","","1.005","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237702","24.0469","0.0007","9.4323","0.0003","20.6401","0.0006","90","","93.49","0.0016","90","","4672.9","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C104 H80 Cu2 F12 N4 P6 -","- C104 H80 Cu2 F12 N4 P6 -","- C208 H160 Cu4 F24 N8 P12 -","2","0.25","","Mondal, Rajarshi; Lozada, Issiah B.; Davis, Rebecca L.; Williams, J. A. Gareth; Herbert, David E.","Exploiting synergy between ligand design and counterion interactions to boost room temperature phosphorescence from Cu(i) compounds","Journal of Materials Chemistry C","2019","7","13","3772","","10.1039/C9TC00040B","","","0.71073","MoKα","","0.1023","0.054","","","0.0989","0.1144","","","","","","1.012","","","","has coordinates","238538","2020-10-21","18:00:00",""
"7237703","27.3393","0.0013","25.0872","0.0011","17.9939","0.0009","90","","128.556","0.001","90","","9651","0.8","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C109 H88 Cl2 Cu2 F12 N4 P6 -","- C109 H88 Cl2 Cu2 F12 N4 P6 -","- C436 H352 Cl8 Cu8 F48 N16 P24 -","4","0.5","","Mondal, Rajarshi; Lozada, Issiah B.; Davis, Rebecca L.; Williams, J. A. Gareth; Herbert, David E.","Exploiting synergy between ligand design and counterion interactions to boost room temperature phosphorescence from Cu(i) compounds","Journal of Materials Chemistry C","2019","7","13","3772","","10.1039/C9TC00040B","","","0.71073","MoKα","","0.1085","0.058","","","0.1424","0.1706","","","","","","1","","","","has coordinates,has disorder","238538","2020-10-21","18:00:00",""
"7237704","9.4994","0.0003","9.8382","0.0003","16.5464","0.0005","95.704","0.001","102.599","0.001","110.032","0.001","1392.04","0.08","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","C-1","","- C40 H28 N2 -","- C40 H28 N2 -","- C80 H56 N4 -","2","1","","Shao, Bo; Jin, Rihua; Li, Aisen; Liu, Yingjie; Li, Bao; Xu, Shuping; Xu, Weiqing; Xu, Bin; Tian, Wenjing","Luminescent switching and structural transition through multiple external stimuli based on organic molecular polymorphs","Journal of Materials Chemistry C","2019","7","11","3263","","10.1039/C9TC00051H","","","0.71076","MoKα","","0.1437","0.065","","","0.1265","0.1589","","","","","","1.012","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237705","4.9686","0.0002","8.1389","0.0004","20.8828","0.001","94.934","0.002","91.571","0.002","98.421","0.002","831.59","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 Cl2 N2 O2 -","- C40 H34 Cl2 N2 O2 -","- C40 H34 Cl2 N2 O2 -","1","0.5","","Shao, Bo; Jin, Rihua; Li, Aisen; Liu, Yingjie; Li, Bao; Xu, Shuping; Xu, Weiqing; Xu, Bin; Tian, Wenjing","Luminescent switching and structural transition through multiple external stimuli based on organic molecular polymorphs","Journal of Materials Chemistry C","2019","7","11","3263","","10.1039/C9TC00051H","","","1.54178","CuKα","","0.096","0.0632","","","0.1467","0.1611","","","","","","1.085","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237706","9.3582","0.0019","32.856","0.007","9.3637","0.0019","90","","106.42","0.03","90","","2761.7","1.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","C-2","","- C40 H28 N2 -","- C40 H28 N2 -","- C160 H112 N8 -","4","1","","Shao, Bo; Jin, Rihua; Li, Aisen; Liu, Yingjie; Li, Bao; Xu, Shuping; Xu, Weiqing; Xu, Bin; Tian, Wenjing","Luminescent switching and structural transition through multiple external stimuli based on organic molecular polymorphs","Journal of Materials Chemistry C","2019","7","11","3263","","10.1039/C9TC00051H","","","1.54178","CuKα","","0.095","0.0849","","","0.2413","0.2524","","","","","","1.025","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237707","7.569","0.0002","9.6729","0.0003","16.0008","0.0005","74.414","0.002","87.622","0.002","77.369","0.002","1100.91","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H21 N3 S2 -","- C26 H21 N3 S2 -","- C52 H42 N6 S4 -","2","1","","Gong, Junyi; Han, Jinliang; Liu, Qian; Ren, Xiaojie; Wei, Peifa; Yang, Lei; Zhang, Yun; Liu, Jing; Dong, Yongqiang; Wang, Yangang; Song, Xiangzhi; Tang, Ben Zhong","An ideal platform of light-emitting materials from phenothiazine: facile preparation, tunable red/NIR fluorescence, bent geometry-promoted AIE behaviour and selective lipid-droplet (LD) tracking ability","Journal of Materials Chemistry C","2019","7","14","4185","","10.1039/C9TC00143C","","","0.71073","MoKα","","0.1196","0.0864","","","0.2536","0.2899","","","","","","1.012","","","","has coordinates","238542","2020-10-21","18:00:00",""
"7237708","7.3052","0.0005","9.3988","0.0006","15.831","0.0011","88.905","0.005","80.763","0.006","77.057","0.005","1045.45","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","TXDM","","- C27 H21 N O S -","- C27 H21 N O S -","- C54 H42 N2 O2 S2 -","2","1","","Mane, Sunil Kumar Baburao; Mu, Yingxiao; Yang, Zhiyong; Ubba, Eethamukkala; Shaishta, Naghma; Chi, Zhenguo","A TADF compound with high-contrast mechano-responsive fluorescence on/off switching for both sequential and combinational logic gates","Journal of Materials Chemistry C","2019","7","12","3522","","10.1039/C9TC00150F","","","1.54184","CuKα","","0.0444","0.0406","","","0.1077","0.1128","","","","","","1.074","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7237709","11.56239","0.00016","10.33576","0.00016","20.3081","0.0003","90","","95.3214","0.0012","90","","2416.48","0.06","223","","223","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H20 N4 S -","- C33 H20 N4 S -","- C132 H80 N16 S4 -","4","1","","Nagai, Sayaka; Yamashita, Maho; Tachikawa, Takashi; Ubukata, Takashi; Asami, Masatoshi; Ito, Suguru","Efficient and versatile mechanochromic luminescence of phenanthroimidazolylbenzothiadiazoles: tricolor switching and directional control over the chromism","Journal of Materials Chemistry C","2019","7","17","4988","","10.1039/C9TC00157C","","","1.54184","CuKα","","0.0446","0.0426","","","0.1137","0.1157","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237710","19.24398","0.00015","21.13245","0.00017","6.19786","0.00005","90","","90","","90","","2520.5","0.03","223","","223","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C34 H22 N4 O S -","- C34 H22 N4 O S -","- C136 H88 N16 O4 S4 -","4","1","","Nagai, Sayaka; Yamashita, Maho; Tachikawa, Takashi; Ubukata, Takashi; Asami, Masatoshi; Ito, Suguru","Efficient and versatile mechanochromic luminescence of phenanthroimidazolylbenzothiadiazoles: tricolor switching and directional control over the chromism","Journal of Materials Chemistry C","2019","7","17","4988","","10.1039/C9TC00157C","","","1.54184","CuKα","","0.0319","0.0309","","","0.0805","0.0814","","","","","","1.044","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237711","15.39674","0.00012","10.80897","0.00007","17.32088","0.00015","90","","105.426","0.0009","90","","2778.75","0.04","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H24 N4 O S -","- C35 H24 N4 O S -","- C140 H96 N16 O4 S4 -","4","1","","Nagai, Sayaka; Yamashita, Maho; Tachikawa, Takashi; Ubukata, Takashi; Asami, Masatoshi; Ito, Suguru","Efficient and versatile mechanochromic luminescence of phenanthroimidazolylbenzothiadiazoles: tricolor switching and directional control over the chromism","Journal of Materials Chemistry C","2019","7","17","4988","","10.1039/C9TC00157C","","","1.54184","CuKα","","0.0452","0.0435","","","0.1199","0.1215","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237712","10.20299","0.00016","15.8241","0.0002","16.8045","0.0003","90","","93.1817","0.0015","90","","2708.96","0.07","223","","223","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C34 H19 F3 N4 S -","- C34 H19 F3 N4 S -","- C136 H76 F12 N16 S4 -","4","2","","Nagai, Sayaka; Yamashita, Maho; Tachikawa, Takashi; Ubukata, Takashi; Asami, Masatoshi; Ito, Suguru","Efficient and versatile mechanochromic luminescence of phenanthroimidazolylbenzothiadiazoles: tricolor switching and directional control over the chromism","Journal of Materials Chemistry C","2019","7","17","4988","","10.1039/C9TC00157C","","","1.54184","CuKα","","0.0646","0.0633","","","0.1774","0.1793","","","","","","1.095","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237713","9.7866","0.0003","16.2397","0.0005","15.7471","0.0005","90","","102.022","0.003","90","","2447.82","0.13","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H19 F N4 S -","- C33 H19 F N4 S -","- C132 H76 F4 N16 S4 -","4","1","","Nagai, Sayaka; Yamashita, Maho; Tachikawa, Takashi; Ubukata, Takashi; Asami, Masatoshi; Ito, Suguru","Efficient and versatile mechanochromic luminescence of phenanthroimidazolylbenzothiadiazoles: tricolor switching and directional control over the chromism","Journal of Materials Chemistry C","2019","7","17","4988","","10.1039/C9TC00157C","","","1.54184","CuKα","","0.0428","0.039","","","0.1038","0.1073","","","","","","1.094","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237714","11.6896","0.00007","15.16518","0.0001","16.54421","0.0001","106.715","0.0006","97.5581","0.0005","110.427","0.0006","2542.92","0.03","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H22 N4 S -","- C34 H22 N4 S -","- C136 H88 N16 S4 -","4","2","","Nagai, Sayaka; Yamashita, Maho; Tachikawa, Takashi; Ubukata, Takashi; Asami, Masatoshi; Ito, Suguru","Efficient and versatile mechanochromic luminescence of phenanthroimidazolylbenzothiadiazoles: tricolor switching and directional control over the chromism","Journal of Materials Chemistry C","2019","7","17","4988","","10.1039/C9TC00157C","","","1.54184","CuKα","","0.0487","0.0461","","","0.1273","0.1301","","","","","","1.054","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237715","22.42","0.005","11.633","0.002","13.542","0.003","90","","102.187","0.006","90","","3452.3","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","dibuthylammonium terephtalate terephtalic acid solvate","","- C32 H50 N2 O8 -","- C32 H50 N2 O8 -","- C128 H200 N8 O32 -","4","0.5","","Bellucci, Luca; Bottaro, Gregorio; Labella, Luca; Marchetti, Fabio; Samaritani, Simona; Belli Dell’Amico, Daniela; Armelao, Lidia","Luminescent sequence-dependent materials through a step by step assembly of RE1–1,4-benzendicarboxylate–RE2 (REx = Y3+, Eu3+ and Tb3+) architectures on a silica surface","Journal of Materials Chemistry C","2019","7","15","4415","","10.1039/C9TC00181F","","","0.71073","MoKα","","0.0836","0.0589","","","0.1821","0.2078","","","","","","1.013","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237716","7.656","0.0009","10.0738","0.0011","11.2184","0.0012","112.305","0.001","97.312","0.001","91.868","0.001","790.88","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","2g","","- C17 H15 B F2 N2 O2 -","- C17 H15 B F2 N2 O2 -","- C34 H30 B2 F4 N4 O4 -","2","1","","Yu, Changjiang; Hao, Erhong; Fang, Xingbao; Wu, Qinghua; Wang, Long; Li, Jiahua; Xu, Linli; Jiao, Lijuan; Wong, Wai-Yeung","AIE-active difluoroboronated acylhydrozone dyes (BOAHY) emitting across the entire visible region and their photo-switching properties","Journal of Materials Chemistry C","2019","7","11","3269","","10.1039/C9TC00316A","","","0.71073","MoKα","","0.0483","0.039","","","0.1115","0.1207","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237717","6.474","0.0014","14.018","0.003","21.523","0.005","90","","91.55","0.003","90","","1952.6","0.7","293","2","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2h","","- C20 H22 B F2 N3 O -","- C20 H22 B F2 N3 O -","- C80 H88 B4 F8 N12 O4 -","4","1","","Yu, Changjiang; Hao, Erhong; Fang, Xingbao; Wu, Qinghua; Wang, Long; Li, Jiahua; Xu, Linli; Jiao, Lijuan; Wong, Wai-Yeung","AIE-active difluoroboronated acylhydrozone dyes (BOAHY) emitting across the entire visible region and their photo-switching properties","Journal of Materials Chemistry C","2019","7","11","3269","","10.1039/C9TC00316A","","x-ray","0.71073","MoKα","","0.1356","0.0591","","","0.1236","0.1456","","","","","","1.067","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237718","9.5383","0.0005","17.467","0.0011","10.2653","0.0006","90","","110.54","0.002","90","","1601.53","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2d","","- C16 H16 B F2 N3 O -","- C16 H16 B F2 N3 O -","- C64 H64 B4 F8 N12 O4 -","4","1","","Yu, Changjiang; Hao, Erhong; Fang, Xingbao; Wu, Qinghua; Wang, Long; Li, Jiahua; Xu, Linli; Jiao, Lijuan; Wong, Wai-Yeung","AIE-active difluoroboronated acylhydrozone dyes (BOAHY) emitting across the entire visible region and their photo-switching properties","Journal of Materials Chemistry C","2019","7","11","3269","","10.1039/C9TC00316A","","x-ray","0.71073","MoKα","","0.0915","0.0518","","","0.1259","0.1525","","","","","","1.019","","","","has coordinates","238552","2020-10-21","18:00:00",""
"7237719","14.09","0.004","9.997","0.003","20.654","0.006","90","","100.333","0.008","90","","2862.1","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2f","","- C16 H13 B F2 N2 O -","- C16 H13 B F2 N2 O -","- C128 H104 B8 F16 N16 O8 -","8","2","","Yu, Changjiang; Hao, Erhong; Fang, Xingbao; Wu, Qinghua; Wang, Long; Li, Jiahua; Xu, Linli; Jiao, Lijuan; Wong, Wai-Yeung","AIE-active difluoroboronated acylhydrozone dyes (BOAHY) emitting across the entire visible region and their photo-switching properties","Journal of Materials Chemistry C","2019","7","11","3269","","10.1039/C9TC00316A","","","0.71073","MoKα","","0.212","0.1725","","","0.3726","0.3908","","","","","","1.085","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237720","8.1278","0.0007","9.0511","0.0007","10.3004","0.0008","82.101","0.003","84.055","0.003","70.628","0.003","706.71","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3","","- C15 H13 B F2 N2 O2 -","- C15 H13 B F2 N2 O2 -","- C30 H26 B2 F4 N4 O4 -","2","1","","Yu, Changjiang; Hao, Erhong; Fang, Xingbao; Wu, Qinghua; Wang, Long; Li, Jiahua; Xu, Linli; Jiao, Lijuan; Wong, Wai-Yeung","AIE-active difluoroboronated acylhydrozone dyes (BOAHY) emitting across the entire visible region and their photo-switching properties","Journal of Materials Chemistry C","2019","7","11","3269","","10.1039/C9TC00316A","","x-ray","0.71073","MoKα","","0.0514","0.0435","","","0.1087","0.1165","","","","","","1.07","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237721","7.3547","0.0005","25.1921","0.0015","9.1335","0.0005","90","","106.823","0.002","90","","1619.84","0.17","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","4e","","- C16 H15 B Br F2 N3 O -","- C16 H15 B Br F2 N3 O -","- C64 H60 B4 Br4 F8 N12 O4 -","4","1","","Yu, Changjiang; Hao, Erhong; Fang, Xingbao; Wu, Qinghua; Wang, Long; Li, Jiahua; Xu, Linli; Jiao, Lijuan; Wong, Wai-Yeung","AIE-active difluoroboronated acylhydrozone dyes (BOAHY) emitting across the entire visible region and their photo-switching properties","Journal of Materials Chemistry C","2019","7","11","3269","","10.1039/C9TC00316A","","x-ray","0.71073","MoKα","","0.0968","0.0545","","","0.0956","0.1093","","","","","","1.131","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237722","14.574","0.005","8.493","0.003","8.347","0.003","90","","90.753","0.014","90","","1033.1","0.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Pb3Br4][C8H14O4]","","- C4 H6 Br3 O2 Pb2 -","- C4 H6 Br3 O2 Pb2 -","- C16 H24 Br12 O8 Pb8 -","4","1","","Yang, Huimin; Yin, Jinlin; Xu, Xiaoxiang; Fei, Honghan","Enhanced intrinsic white-light emission upon near-UV excitation by crystal engineering of cationic lead bromide layered materials","Journal of Materials Chemistry C","2019","7","23","7090","","10.1039/C9TC00329K","","","0.71073","MoKα","","0.111","0.0885","","","0.2395","0.2628","","","","","","1.075","","","","has coordinates","238555","2020-10-21","18:00:00",""
"7237723","34.884","0.005","13.226","0.002","8.9982","0.0015","90","","98.082","0.006","90","","4110.3","1.1","300","2","299.86","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 Br3 O7 Pb3 -","- C12 H20 Br3 O7 Pb3 -","- C96 H160 Br24 O56 Pb24 -","8","1","","Yang, Huimin; Yin, Jinlin; Xu, Xiaoxiang; Fei, Honghan","Enhanced intrinsic white-light emission upon near-UV excitation by crystal engineering of cationic lead bromide layered materials","Journal of Materials Chemistry C","2019","7","23","7090","","10.1039/C9TC00329K","","","0.71073","MoKα","","0.1313","0.1149","","","0.2804","0.2882","","","","","","1.112","","","","has coordinates","238555","2020-10-21","18:00:00",""
"7237724","8.1393","0.0003","25.2015","0.0009","10.9881","0.0005","90","","91.088","0.003","90","","2253.5","0.15","150","0.1","149.9","0.3","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H48 Br10 N6 O9 Pb2 -","- C18 H48 Br10 N6 O9 Pb2 -","- C36 H96 Br20 N12 O18 Pb4 -","2","1","","Ben Haj Salah, Maroua; Mercier, Nicolas; Allain, Magali; Zouari, Nabil; Botta, Chiara","Dual phosphorescence from the organic and inorganic moieties of 1D hybrid perovskites of the Pbn′Br4n′+2 series (n′ = 2, 3, 4, 5)","Journal of Materials Chemistry C","2019","7","15","4424","","10.1039/C9TC00340A","","","1.54184","CuKα","","0.0684","0.0576","","","0.1458","0.1516","","","","","","1.013","","","","has coordinates","238557","2020-10-21","18:00:00",""
"7237725","8.274","0.005","11.58","0.005","15.717","0.005","71.769","0.005","77.947","0.005","72.105","0.005","1350.5","1.1","150","10","149.9","0.3","","","","","","","","6","P 1","P 1","1","","","","- C20 H64 Br14 N8 O10 Pb3 -","- C20 H64 Br14 N8 O10 Pb3 -","- C20 H64 Br14 N8 O10 Pb3 -","1","1","","Ben Haj Salah, Maroua; Mercier, Nicolas; Allain, Magali; Zouari, Nabil; Botta, Chiara","Dual phosphorescence from the organic and inorganic moieties of 1D hybrid perovskites of the Pbn′Br4n′+2 series (n′ = 2, 3, 4, 5)","Journal of Materials Chemistry C","2019","7","15","4424","","10.1039/C9TC00340A","","","1.54184","CuKα","","0.0325","0.0306","","","0.0738","0.0745","","","","","","1.015","","","","has coordinates","238557","2020-10-21","18:00:00",""
"7237726","26.7956","0.0013","8.1729","0.0003","22.9805","0.0011","90","","112.775","0.006","90","","4640.3","0.4","150.01","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H104 Br22 N12 O16 Pb5 -","- C36 H96 Br22 N12 O16 Pb5 -","- C72 H192 Br44 N24 O32 Pb10 -","2","0.5","","Ben Haj Salah, Maroua; Mercier, Nicolas; Allain, Magali; Zouari, Nabil; Botta, Chiara","Dual phosphorescence from the organic and inorganic moieties of 1D hybrid perovskites of the Pbn′Br4n′+2 series (n′ = 2, 3, 4, 5)","Journal of Materials Chemistry C","2019","7","15","4424","","10.1039/C9TC00340A","","","1.54184","CuKα","","0.0775","0.0499","","","0.11","0.1248","","","","","","0.988","","","","has coordinates,has disorder","238557","2020-10-21","18:00:00",""
"7237727","12.3316","0.0004","8.0863","0.0002","23.0098","0.0007","90","","101.621","0.003","90","","2247.44","0.12","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H50 Br10 N6 O7 Pb2 -","- C18 H50 Br10 N6 O7 Pb2 -","- C36 H100 Br20 N12 O14 Pb4 -","2","1","","Ben Haj Salah, Maroua; Mercier, Nicolas; Allain, Magali; Zouari, Nabil; Botta, Chiara","Dual phosphorescence from the organic and inorganic moieties of 1D hybrid perovskites of the Pbn′Br4n′+2 series (n′ = 2, 3, 4, 5)","Journal of Materials Chemistry C","2019","7","15","4424","","10.1039/C9TC00340A","","","1.54184","CuKα","","0.0621","0.0599","","","0.1649","0.1686","","","","","","1.004","","","","has coordinates,has disorder","238557","2020-10-21","18:00:00",""
"7237728","10.6652","0.0003","10.8218","0.0004","14.7723","0.0006","89.128","0.003","76.181","0.003","73.418","0.003","1584.2","0.1","100","0.8","100","0.8","","","","","","","","4","P -1","-P 1","2","","TPA-PPI-OH","","- C45 H31 N3 O -","- C45 H31 N3 O -","- C90 H62 N6 O2 -","2","1","","Qiu, Xu; Xu, Yuwei; Wang, Cong; Hanif, Muddasir; Zhou, Jiadong; Zeng, Cheng; Li, Ya; Jiang, Qinglin; Zhao, Ruiyang; Hu, Dehua; Ma, Yuguang","Synergistic effects of hydrogen bonds and the hybridized excited state observed for high-efficiency, deep-blue fluorescent emitters with narrow emission in OLED applications","Journal of Materials Chemistry C","2019","7","18","5461","","10.1039/C9TC00357F","","x-ray","1.54184","CuKα","","0.0377","0.0342","","","0.0862","0.0883","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237729","9.7201","0.0004","20.7651","0.0007","22.6267","0.0008","87.0396","0.0013","83.6537","0.0013","80.6042","0.0013","4475.4","0.3","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","NIPy","","- C113 H87 Cl3 N2 O4 -","- C113 H87 Cl3 N2 O4 -","- C226 H174 Cl6 N4 O8 -","2","1","","Li, Yang; Zhang, Cheng; Li, Zhuang; Gu, Peiyang; Wang, Zilong; Li, Hua; Lu, Jianmei; Zhang, Qichun","Controlled deposition of large-area and highly-ordered thin films: effect of dip-coating-induced morphological evolution on resistive memory performance","Journal of Materials Chemistry C","2019","7","12","3512","","10.1039/C9TC00431A","","","0.71073","MoKα","","0.151","0.0886","","","0.2432","0.2978","","","","","","1.04","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237730","45.967","0.007","18.658","0.003","21.437","0.003","90","","91.993","0.002","90","","18374","5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H40 F6 Ir N5 S2 -","- C51 H40 F6 Ir N5 S2 -","- C816 H640 F96 Ir16 N80 S32 -","16","2","","Lu, Guang-Zhao; Li, Xiaokang; Liu, Liang; Zhou, Liang; Zheng, You-Xuan; Zhang, Wen-Wei; Zuo, Jing-Lin; Zhang, Hongjie","Efficient phosphorescent red iridium(iii) complexes containing a four-membered Ir‒S‒C‒S ring backbone and large hindered spacers for high-performance OLEDs","Journal of Materials Chemistry C","2019","7","13","3862","","10.1039/C9TC00440H","","","0.71073","MoKα","","0.0878","0.0454","","","0.1105","0.1388","","","","","","1.059","","","","has coordinates,has disorder","238563","2020-10-21","18:00:00",""
"7237731","8.2104","0.0006","14.8349","0.0011","20.6198","0.0015","74.725","0.001","79.586","0.001","77.399","0.001","2344.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H41 F6 Ir N5 S2 -","- C51 H41 F6 Ir N5 S2 -","- C102 H82 F12 Ir2 N10 S4 -","2","1","","Lu, Guang-Zhao; Li, Xiaokang; Liu, Liang; Zhou, Liang; Zheng, You-Xuan; Zhang, Wen-Wei; Zuo, Jing-Lin; Zhang, Hongjie","Efficient phosphorescent red iridium(iii) complexes containing a four-membered Ir‒S‒C‒S ring backbone and large hindered spacers for high-performance OLEDs","Journal of Materials Chemistry C","2019","7","13","3862","","10.1039/C9TC00440H","","","0.71073","MoKα","","0.0572","0.0471","","","0.1154","0.1229","","","","","","1.058","","","","has coordinates,has disorder","238563","2020-10-21","18:00:00",""
"7237732","9.339","0.0002","15.6217","0.0005","33.6709","0.0019","90","","90","","90","","4912.3","0.3","295","2","295","2","","","","","","","","6","P 2 2 21","P 2c 2","17","","","","- C91.5 H83.5 Cl2 In3 N5.5 O27.5 -","- C70 H40 Cl2 In3 O20 -","- C140 H80 Cl4 In6 O40 -","2","0.5","","Wu, Zhao-Feng; Tan, Bin; Velasco, Ever; Wang, Hao; Shen, Nan-Nan; Gao, Yu-Jie; Zhang, Xu; Zhu, Kun; Zhang, Guo-Yu; Liu, Yan-Yao; Hei, Xiu-Ze; Huang, Xiao-Ying; Li, Jing","Fluorescent In based MOFs showing “turn on” luminescence towards thiols and acting as a ratiometric fluorescence thermometer","Journal of Materials Chemistry C","2019","7","10","3049","","10.1039/C9TC00463G","","","0.71073","MoKα","","0.0715","0.0632","","","0.1565","0.1599","","","","","","1.012","","","","has coordinates","238566","2020-10-21","18:00:00",""
"7237733","17.542","0.004","18.562","0.004","18.887","0.004","69.85","0.03","89.4","0.03","89.17","0.03","5773","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H33 B F24 Ir N7 -","- C58 H33 B F24 Ir N7 -","- C232 H132 B4 F96 Ir4 N28 -","4","2","","Zhang, Chen; Ma, Dongxin; Liu, Ruihuan; Duan, Lian","High-efficiency blue‒green electroluminescence from sublimable cationic iridium(iii) complexes with a pyrazole-type ligand","Journal of Materials Chemistry C","2019","7","12","3503","","10.1039/C9TC00465C","","","0.71073","MoKα","","0.1179","0.1026","","","0.2821","0.3096","","","","","","1.146","","","","has coordinates","238568","2020-10-21","18:00:00",""
"7237734","24.096","0.005","17.106","0.003","31.46","0.006","90","","95.12","0.03","90","","12916","4","153","2","153.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C131 H80 B2 F48 Ir2 N14 O -","- C131 H80 B2 F48 Ir2 N14 O -","- C524 H320 B8 F192 Ir8 N56 O4 -","4","1","","Zhang, Chen; Ma, Dongxin; Liu, Ruihuan; Duan, Lian","High-efficiency blue‒green electroluminescence from sublimable cationic iridium(iii) complexes with a pyrazole-type ligand","Journal of Materials Chemistry C","2019","7","12","3503","","10.1039/C9TC00465C","","","0.71073","MoKα","","0.1542","0.124","","","0.3081","0.3465","","","","","","1.244","","","","has coordinates","238568","2020-10-21","18:00:00",""
"7237735","7.3108","0.0005","6.7983","0.0005","14.1226","0.0011","90","","91.598","0.002","90","","701.63","0.09","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C14 H13 B F2 N3 O2 -","- C14 H13 B F2 N3 O2 -","- C28 H26 B2 F4 N6 O4 -","2","0.5","","Yu, Yizhe; Yu, Changjiang; Wu, Qinghua; Wang, Hua; Jiao, Lijuan; Wong, Wai-Yeung; Hao, Erhong","Pure E/Z isomers of N-methylpyrrole-benzohydrazide-based BF2 complexes: remarkable aggregation-, crystallization-induced emission switching properties and application in sensing intracellular pH microenvironment","Journal of Materials Chemistry C","2019","7","15","4533","","10.1039/C9TC00473D","","","0.71073","MoKα","","0.0504","0.0402","","","0.0996","0.1038","","","","","","1.103","","","","has coordinates,has disorder","238570","2020-10-21","18:00:00",""
"7237736","7.2781","0.0012","8.5866","0.0014","13.586","0.002","72.984","0.006","80.919","0.006","72.59","0.006","772.4","0.2","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 B F2 N4 O -","- C15 H17 B F2 N4 O -","- C30 H34 B2 F4 N8 O2 -","2","1","","Yu, Yizhe; Yu, Changjiang; Wu, Qinghua; Wang, Hua; Jiao, Lijuan; Wong, Wai-Yeung; Hao, Erhong","Pure E/Z isomers of N-methylpyrrole-benzohydrazide-based BF2 complexes: remarkable aggregation-, crystallization-induced emission switching properties and application in sensing intracellular pH microenvironment","Journal of Materials Chemistry C","2019","7","15","4533","","10.1039/C9TC00473D","","x-ray","0.71073","MoKα","","0.1122","0.089","","","0.2168","0.229","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237737","10.8986","0.0002","11.8661","0.0002","11.1113","0.0002","90","","91.844","0.001","90","","1436.21","0.04","273","2","273.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 B F2 N3 O2 -","- C14 H14 B F2 N3 O2 -","- C56 H56 B4 F8 N12 O8 -","4","1","","Yu, Yizhe; Yu, Changjiang; Wu, Qinghua; Wang, Hua; Jiao, Lijuan; Wong, Wai-Yeung; Hao, Erhong","Pure E/Z isomers of N-methylpyrrole-benzohydrazide-based BF2 complexes: remarkable aggregation-, crystallization-induced emission switching properties and application in sensing intracellular pH microenvironment","Journal of Materials Chemistry C","2019","7","15","4533","","10.1039/C9TC00473D","","x-ray","1.54178","CuKα","","0.0394","0.0351","","","0.0939","0.0973","","","","","","1.061","","","","has coordinates","238570","2020-10-21","18:00:00",""
"7237738","6.7077","0.0002","8.4933","0.0003","14.4139","0.0005","91.87","0.001","102.868","0.001","107.317","0.001","759.93","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 B F2 N4 O -","- C15 H17 B F2 N4 O -","- C30 H34 B2 F4 N8 O2 -","2","1","","Yu, Yizhe; Yu, Changjiang; Wu, Qinghua; Wang, Hua; Jiao, Lijuan; Wong, Wai-Yeung; Hao, Erhong","Pure E/Z isomers of N-methylpyrrole-benzohydrazide-based BF2 complexes: remarkable aggregation-, crystallization-induced emission switching properties and application in sensing intracellular pH microenvironment","Journal of Materials Chemistry C","2019","7","15","4533","","10.1039/C9TC00473D","","x-ray","0.71073","MoKα","","0.0595","0.0459","","","0.1259","0.1471","","","","","","1.089","","","","has coordinates","238570","2020-10-21","18:00:00",""
"7237739","13.493","0.0003","18.9594","0.0004","19.969","0.0004","94.38","0.007","99.819","0.007","91.961","0.007","5013.1","0.2","296","","296","","","","","","","","","5","P -1","-P 1","2","","BPY[Ni(dmit)2]6(CH3CN)3","","- C54 H21 N5 Ni6 S60 -","- C54 H21 N5 Ni6 S60 -","- C108 H42 N10 Ni12 S120 -","2","1","","Naito, Toshio; Karasudani, Tomoaki; Yamamoto, Ryoma; Zhang, Ming Yang; Yamamoto, Takashi","A possibly highly conducting state in an optically excited molecular crystal","Journal of Materials Chemistry C","2019","7","30","9175","","10.1039/C9TC00491B","","","1.54187","CuKα","","0.1421","0.0675","","","0.1304","0.1745","","","","","","0.757","","","","has coordinates","238572","2020-10-21","18:00:00",""
"7237740","13.2763","0.0002","18.8083","0.0003","19.8878","0.0004","94.427","0.007","99.435","0.007","91.988","0.007","4878.62","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","BPY[Ni(dmit)2]6(CH3CN)3","","- C54 H21 N5 Ni6 S60 -","- C54 H21 N5 Ni6 S60 -","- C108 H42 N10 Ni12 S120 -","2","1","","Naito, Toshio; Karasudani, Tomoaki; Yamamoto, Ryoma; Zhang, Ming Yang; Yamamoto, Takashi","A possibly highly conducting state in an optically excited molecular crystal","Journal of Materials Chemistry C","2019","7","30","9175","","10.1039/C9TC00491B","","","1.54187","CuKα","","0.084","0.0566","","","0.1368","0.1515","","","","","","0.659","","","","has coordinates","238572","2020-10-21","18:00:00",""
"7237741","9.0322","0.0001","12.2675","0.0001","25.1471","0.0004","90","","90","","90","","2786.36","0.06","169.99","0.1","169.99","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C38 H32 N4 -","- C38 H32 N4 -","- C152 H128 N16 -","4","1","","Chen, Cheng; Lu, Hai-Yan; Wang, Yin-Feng; Li, Meng; Shen, Yi-Fan; Chen, Chuan-Feng","Naphthyridine-based thermally activated delayed fluorescence emitters for multi-color organic light-emitting diodes with low efficiency roll-off","Journal of Materials Chemistry C","2019","7","16","4673","","10.1039/C9TC00503J","","x-ray","1.54184","CuKα","","0.0408","0.0357","","","0.09","0.0973","","","","","","1.074","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237742","9.8488","0.0001","7.4186","0.0001","16.2441","0.0002","90","","104.848","0.001","90","","1147.23","0.02","169.99","0.1","169.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H20 N4 O2 -","- C32 H20 N4 O2 -","- C64 H40 N8 O4 -","2","1","","Chen, Cheng; Lu, Hai-Yan; Wang, Yin-Feng; Li, Meng; Shen, Yi-Fan; Chen, Chuan-Feng","Naphthyridine-based thermally activated delayed fluorescence emitters for multi-color organic light-emitting diodes with low efficiency roll-off","Journal of Materials Chemistry C","2019","7","16","4673","","10.1039/C9TC00503J","","x-ray","1.54184","CuKα","","0.0325","0.032","","","0.0803","0.081","","","","","","1.067","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237743","8.1825","0.0001","27.5249","0.0002","12.8511","0.0001","90","","90","","90","","2894.36","0.05","173","2","173.15","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C32 H20 N4 S2 -","- C32 H20 N4 S2 -","- C128 H80 N16 S8 -","4","0.5","","Chen, Cheng; Lu, Hai-Yan; Wang, Yin-Feng; Li, Meng; Shen, Yi-Fan; Chen, Chuan-Feng","Naphthyridine-based thermally activated delayed fluorescence emitters for multi-color organic light-emitting diodes with low efficiency roll-off","Journal of Materials Chemistry C","2019","7","16","4673","","10.1039/C9TC00503J","","","1.54178","CuKα","","0.0422","0.0418","","","0.1086","0.1089","","","","","","1.112","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237744","9.9748","0.0006","9.6537","0.0006","11.0118","0.0007","90","","108.037","0.007","90","","1008.26","0.12","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H16 F4 -","- C26 H16 F4 -","- C52 H32 F8 -","2","1","","Zhang, Hao; Nie, Yong; Miao, Jinling; Zhang, Dengqing; Li, Yexin; Liu, Guangning; Sun, Guoxin; Jiang, Xuchuan","Fluorination of the tetraphenylethene core: synthesis, aggregation-induced emission, reversible mechanofluorochromism and thermofluorochromism of fluorinated tetraphenylethene derivatives","Journal of Materials Chemistry C","2019","7","11","3306","","10.1039/C9TC00511K","","x-ray","0.71073","MoKα","","0.1773","0.1113","","","0.2813","0.3482","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237745","9.9314","0.0007","9.4452","0.0006","10.8609","0.0008","90","","108.374","0.002","90","","966.86","0.12","298","2","298.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H19 F -","- C26 H19 F -","- C52 H38 F2 -","2","1","","Zhang, Hao; Nie, Yong; Miao, Jinling; Zhang, Dengqing; Li, Yexin; Liu, Guangning; Sun, Guoxin; Jiang, Xuchuan","Fluorination of the tetraphenylethene core: synthesis, aggregation-induced emission, reversible mechanofluorochromism and thermofluorochromism of fluorinated tetraphenylethene derivatives","Journal of Materials Chemistry C","2019","7","11","3306","","10.1039/C9TC00511K","","","0.71073","MoKα","","0.0806","0.0551","","","0.1549","0.1783","","","","","","1.04","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237746","9.9332","0.0008","9.5602","0.0008","10.8668","0.0009","90","","108.551","0.003","90","","978.33","0.14","298","2","298.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H18 F2 -","- C26 H18 F2 -","- C52 H36 F4 -","2","1","","Zhang, Hao; Nie, Yong; Miao, Jinling; Zhang, Dengqing; Li, Yexin; Liu, Guangning; Sun, Guoxin; Jiang, Xuchuan","Fluorination of the tetraphenylethene core: synthesis, aggregation-induced emission, reversible mechanofluorochromism and thermofluorochromism of fluorinated tetraphenylethene derivatives","Journal of Materials Chemistry C","2019","7","11","3306","","10.1039/C9TC00511K","","","0.71073","MoKα","","0.1197","0.0808","","","0.2053","0.2358","","","","","","1.079","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237747","9.8507","0.0006","9.6236","0.0006","10.6312","0.0007","90","","105.74","0.003","90","","970.04","0.11","298","2","298.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H19 F -","- C26 H19 F -","- C52 H38 F2 -","2","1","","Zhang, Hao; Nie, Yong; Miao, Jinling; Zhang, Dengqing; Li, Yexin; Liu, Guangning; Sun, Guoxin; Jiang, Xuchuan","Fluorination of the tetraphenylethene core: synthesis, aggregation-induced emission, reversible mechanofluorochromism and thermofluorochromism of fluorinated tetraphenylethene derivatives","Journal of Materials Chemistry C","2019","7","11","3306","","10.1039/C9TC00511K","","","0.71073","MoKα","","0.0902","0.0604","","","0.164","0.1901","","","","","","1.033","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237748","20.4984","0.0012","15.432","0.001","6.0388","0.0004","90","","96.341","0.003","90","","1898.6","0.2","295","2","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-hexylthieno[5,4-b][1]benzothieno[3,2-b][1]benzothiophene (BTBTT6-syn)","","- C22 H20 S3 -","- C22 H20 S3 -","- C88 H80 S12 -","4","1","","He, Keqiang; Zhou, Shujun; Li, Weili; Tian, Hongkun; Tang, Qingxin; Zhang, Jidong; Yan, Donghang; Geng, Yanhou; Wang, Fosong","Five-ring-fused asymmetric thienoacenes for high mobility organic thin-film transistors: the influence of the position of the S atom in the terminal thiophene ring","Journal of Materials Chemistry C","2019","7","12","3656","","10.1039/C9TC00552H","","","1.54178","CuKα","","0.1117","0.0794","","","0.2059","0.219","","","","","","1.027","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237749","9.7443","0.0006","9.8799","0.0006","40.142","0.003","91.556","0.004","92.432","0.003","106.043","0.003","3707.7","0.4","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","2-hexylthieno[4,5-b][1]benzothieno[3,2-b][1]benzothiophene","","- C22 H20 S3 -","- C22 H20 S3 -","- C176 H160 S24 -","8","4","","He, Keqiang; Zhou, Shujun; Li, Weili; Tian, Hongkun; Tang, Qingxin; Zhang, Jidong; Yan, Donghang; Geng, Yanhou; Wang, Fosong","Five-ring-fused asymmetric thienoacenes for high mobility organic thin-film transistors: the influence of the position of the S atom in the terminal thiophene ring","Journal of Materials Chemistry C","2019","7","12","3656","","10.1039/C9TC00552H","","","1.34139","GaKα","","0.1479","0.12","","","0.3622","0.3867","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237750","8.6611","0.0004","27.0793","0.0014","15.6284","0.0007","90","","93.237","0.004","90","","3659.6","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H12 Cl4 Mn N6 -","- C2 H8.66667 Cl4 Mn N6 -","- C24 H104 Cl48 Mn12 N72 -","12","3","","Sen, Abhijit; Swain, Diptikanta; Guru Row, Tayur N.; Sundaresan, A.","Unprecedented 30 K hysteresis across switchable dielectric and magnetic properties in a bright luminescent organic‒inorganic halide (CH6N3)2MnCl4","Journal of Materials Chemistry C","2019","7","16","4838","","10.1039/C9TC00663J","","","0.71073","MoKα","","0.0965","0.0597","","","0.1207","0.1454","","","","","","1.029","","","","has coordinates","238582","2020-10-21","18:00:00",""
"7237751","8.6227","0.0005","27.0625","0.00012","15.4303","0.0007","90","","90","","90","","3600.7","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C2 H12 Cl4 Mn N6 -","- C2 H12 Cl4 Mn N6 -","- C24 H144 Cl48 Mn12 N72 -","12","3","","Sen, Abhijit; Swain, Diptikanta; Guru Row, Tayur N.; Sundaresan, A.","Unprecedented 30 K hysteresis across switchable dielectric and magnetic properties in a bright luminescent organic‒inorganic halide (CH6N3)2MnCl4","Journal of Materials Chemistry C","2019","7","16","4838","","10.1039/C9TC00663J","","","0.71073","MoKα","","0.0976","0.0753","","","0.1589","0.1812","","","","","","1.038","","","","has coordinates","238582","2020-10-21","18:00:00",""
"7237752","12.9638","0.0008","14.1725","0.001","9.5622","0.0006","77.138","0.002","84.451","0.002","83.336","0.003","1696.64","0.19","190","","190","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 N2 O2 S3 -","- C42 H34 N2 O2 S3 -","- C84 H68 N4 O4 S6 -","2","1","","Nobuyasu, Roberto S.; Ward, Jonathan S.; Gibson, Jamie; Laidlaw, Beth A.; Ren, Zhongjie; Data, Przemyslaw; Batsanov, Andrei S.; Penfold, Thomas J.; Bryce, Martin R.; Dias, Fernando B.","The influence of molecular geometry on the efficiency of thermally activated delayed fluorescence","Journal of Materials Chemistry C","2019","7","22","6672","","10.1039/C9TC00720B","","x-ray","0.71073","MoKα","","0.0947","0.0489","","","0.0981","0.1128","","","","","","1.018","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237753","8.7268","0.0008","13.2586","0.0011","13.8335","0.0012","79.822","0.003","75.146","0.003","73.305","0.003","1472.7","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H26 N2 O2 S3 -","- C38 H26 N2 O2 S3 -","- C76 H52 N4 O4 S6 -","2","1","","Nobuyasu, Roberto S.; Ward, Jonathan S.; Gibson, Jamie; Laidlaw, Beth A.; Ren, Zhongjie; Data, Przemyslaw; Batsanov, Andrei S.; Penfold, Thomas J.; Bryce, Martin R.; Dias, Fernando B.","The influence of molecular geometry on the efficiency of thermally activated delayed fluorescence","Journal of Materials Chemistry C","2019","7","22","6672","","10.1039/C9TC00720B","","","0.71073","MoKα","","0.0931","0.046","","","0.0839","0.0981","","","","","","1.014","","","","has coordinates","238584","2020-10-21","18:00:00",""
"7237754","7.6155","0.0019","31.336","0.008","8.892","0.002","90","","108.991","0.005","90","","2006.5","0.8","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C45 H38 Cl3 D N2 O2 S3 -","- C45 H38 Cl3 D N2 O2 S3 -","- C90 H76 Cl6 D2 N4 O4 S6 -","2","0.5","","Nobuyasu, Roberto S.; Ward, Jonathan S.; Gibson, Jamie; Laidlaw, Beth A.; Ren, Zhongjie; Data, Przemyslaw; Batsanov, Andrei S.; Penfold, Thomas J.; Bryce, Martin R.; Dias, Fernando B.","The influence of molecular geometry on the efficiency of thermally activated delayed fluorescence","Journal of Materials Chemistry C","2019","7","22","6672","","10.1039/C9TC00720B","","","0.6889","synchrotron","","0.106","0.0994","","","0.2634","0.2703","","","","","","1.059","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237755","16.766","0.004","7.6903","0.0019","28.118","0.007","90","","90.899","0.004","90","","3625","1.5","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H38 N2 O2 S3 -","- C44 H38 N2 O2 S3 -","- C176 H152 N8 O8 S12 -","4","0.5","","Nobuyasu, Roberto S.; Ward, Jonathan S.; Gibson, Jamie; Laidlaw, Beth A.; Ren, Zhongjie; Data, Przemyslaw; Batsanov, Andrei S.; Penfold, Thomas J.; Bryce, Martin R.; Dias, Fernando B.","The influence of molecular geometry on the efficiency of thermally activated delayed fluorescence","Journal of Materials Chemistry C","2019","7","22","6672","","10.1039/C9TC00720B","","x-ray","1.54184","CuKα","","0.0625","0.0493","","","0.0988","0.1068","","","","","","1.062","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237756","12.9513","0.001","14.1812","0.0011","18.9798","0.0015","76.632","0.003","83.723","0.003","83.531","0.003","3357.4","0.5","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 N2 O2 S3 -","- C42 H34 N2 O2 S3 -","- C168 H136 N8 O8 S12 -","4","2","","Nobuyasu, Roberto S.; Ward, Jonathan S.; Gibson, Jamie; Laidlaw, Beth A.; Ren, Zhongjie; Data, Przemyslaw; Batsanov, Andrei S.; Penfold, Thomas J.; Bryce, Martin R.; Dias, Fernando B.","The influence of molecular geometry on the efficiency of thermally activated delayed fluorescence","Journal of Materials Chemistry C","2019","7","22","6672","","10.1039/C9TC00720B","","x-ray","0.71073","MoKα","","0.0694","0.0433","","","0.1082","0.1207","","","","","","1.028","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237757","14.6894","0.0004","18.7501","0.0003","19.127","0.0005","107.072","0.001","91.951","0.001","97.9","0.002","4972.8","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C124 Cl12 N7 O70 Si2 V W18 -","- C124 Cl12 N7 O70 Si2 V W18 -","- C124 Cl12 N7 O70 Si2 V W18 -","1","0.5","","Minato, Takuo; Ohata, Yusuke; Ishii, Kazuyuki; Yamaguchi, Kazuya; Mizuno, Noritaka; Suzuki, Kosuke","Exploring orientationally aligned anisotropic large spin molecules with unusual long-distance intermolecular ferromagnetic interactions","Journal of Materials Chemistry C","2019","7","41","12918","","10.1039/C9TC00740G","","","0.71069","MoKα","","0.1482","0.0954","","","0.2542","0.2986","","","","","","1.111","","","","has coordinates","238587","2020-10-21","18:00:00",""
"7237758","28.5552","0.0002","22.3557","0.0002","29.638","0.0002","90","","105.071","0.0002","90","","18269.3","0.2","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C116 Mn4 N11 O78 Si2 V W18 -","- C116 Mn4 N11 O78 Si2 V W18 -","- C464 Mn16 N44 O312 Si8 V4 W72 -","4","1","","Minato, Takuo; Ohata, Yusuke; Ishii, Kazuyuki; Yamaguchi, Kazuya; Mizuno, Noritaka; Suzuki, Kosuke","Exploring orientationally aligned anisotropic large spin molecules with unusual long-distance intermolecular ferromagnetic interactions","Journal of Materials Chemistry C","2019","7","41","12918","","10.1039/C9TC00740G","","","0.71069","MoKα","","0.0655","0.0487","","","0.1312","0.151","","","","","","1.155","","","","has coordinates","238587","2020-10-21","18:00:00",""
"7237759","14.3233","0.0001","20.1223","0.0002","34.2013","0.0004","102.564","0.001","96.635","0.001","93.43","0.001","9520.16","0.17","123","2","123","2","","","","","","","","8","P -1","-P 1","2","","","","- C120 Cl8 Mn4 N7 O70 Si2 V W18 -","- C120 Cl8 Mn4 N7 O70 Si2 V W18 -","- C240 Cl16 Mn8 N14 O140 Si4 V2 W36 -","2","1","","Minato, Takuo; Ohata, Yusuke; Ishii, Kazuyuki; Yamaguchi, Kazuya; Mizuno, Noritaka; Suzuki, Kosuke","Exploring orientationally aligned anisotropic large spin molecules with unusual long-distance intermolecular ferromagnetic interactions","Journal of Materials Chemistry C","2019","7","41","12918","","10.1039/C9TC00740G","","","0.71069","MoKα","","0.0739","0.0576","","","0.1642","0.1881","","","","","","1.111","","","","has coordinates,has disorder","238587","2020-10-21","18:00:00",""
"7237760","11.7323","0.0002","12.4706","0.0002","14.5534","0.0003","82.239","0.002","71.689","0.002","74.258","0.002","1942.76","0.07","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H35 Cl2 F6 N2 P3 Pt -","- C40 H35 Cl2 F6 N2 P3 Pt -","- C80 H70 Cl4 F12 N4 P6 Pt2 -","2","1","","Sicilia, Violeta; Fuertes, Sara; Chueca, Andrés J.; Arnal, Lorenzo; Martín, Antonio; Perálvarez, Mariano; Botta, Chiara; Giovanella, Umberto","Highly efficient platinum-based emitters for warm white light emitting diodes","Journal of Materials Chemistry C","2019","7","15","4509","","10.1039/C9TC00747D","","","0.71073","MoKα","","0.0256","0.0227","","","0.0468","0.0479","","","","","","1.032","","","","has coordinates,has disorder","238590","2020-10-21","18:00:00",""
"7237761","10.618","0.005","12.761","0.005","15.582","0.005","92.123","0.005","101.549","0.005","105.048","0.005","1988.8","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44.5 H36 Cl F6 N2 P3 Pt -","- C44.5 H36 Cl F6 N2 P3 Pt -","- C89 H72 Cl2 F12 N4 P6 Pt2 -","2","1","","Sicilia, Violeta; Fuertes, Sara; Chueca, Andrés J.; Arnal, Lorenzo; Martín, Antonio; Perálvarez, Mariano; Botta, Chiara; Giovanella, Umberto","Highly efficient platinum-based emitters for warm white light emitting diodes","Journal of Materials Chemistry C","2019","7","15","4509","","10.1039/C9TC00747D","","","0.71073","MoKα","","0.0389","0.0305","","","0.0651","0.0685","","","","","","1.023","","","","has coordinates","238590","2020-10-21","18:00:00",""
"7237762","10.90247","0.00013","25.5722","0.0004","16.9913","0.0002","90","","94.9749","0.0011","90","","4719.33","0.11","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C45 H41 Cl4 F6 N2 O2 P3 Pt -","- C45 H41 Cl4 F6 N2 O2 P3 Pt -","- C180 H164 Cl16 F24 N8 O8 P12 Pt4 -","4","1","","Sicilia, Violeta; Fuertes, Sara; Chueca, Andrés J.; Arnal, Lorenzo; Martín, Antonio; Perálvarez, Mariano; Botta, Chiara; Giovanella, Umberto","Highly efficient platinum-based emitters for warm white light emitting diodes","Journal of Materials Chemistry C","2019","7","15","4509","","10.1039/C9TC00747D","","","0.71073","MoKα","","0.0479","0.0376","","","0.0844","0.089","","","","","","1.036","","","","has coordinates,has disorder","238590","2020-10-21","18:00:00",""
"7237763","10.85809","0.00011","13.99284","0.00015","14.07706","0.00019","93.6331","0.001","109.682","0.0011","92.2688","0.0008","2005.58","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C41 H41 F6 N2 O3 P3 Pt -","- C41 H41 F6 N2 O3 P3 Pt -","- C82 H82 F12 N4 O6 P6 Pt2 -","2","1","","Sicilia, Violeta; Fuertes, Sara; Chueca, Andrés J.; Arnal, Lorenzo; Martín, Antonio; Perálvarez, Mariano; Botta, Chiara; Giovanella, Umberto","Highly efficient platinum-based emitters for warm white light emitting diodes","Journal of Materials Chemistry C","2019","7","15","4509","","10.1039/C9TC00747D","","","0.71073","MoKα","","0.0178","0.0168","","","0.0385","0.0388","","","","","","1.043","","","","has coordinates","238590","2020-10-21","18:00:00",""
"7237764","10.15395","0.00015","14.1616","0.00019","16.3056","0.0002","70.9422","0.0013","75.4245","0.0013","74.2959","0.0012","2098.82","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H37 F6 N2 O2 P3 Pt -","- C39 H37 F6 N2 O2 P3 Pt -","- C78 H74 F12 N4 O4 P6 Pt2 -","2","1","","Sicilia, Violeta; Fuertes, Sara; Chueca, Andrés J.; Arnal, Lorenzo; Martín, Antonio; Perálvarez, Mariano; Botta, Chiara; Giovanella, Umberto","Highly efficient platinum-based emitters for warm white light emitting diodes","Journal of Materials Chemistry C","2019","7","15","4509","","10.1039/C9TC00747D","","","0.71073","MoKα","","0.0265","0.0237","","","0.0575","0.0592","","","","","","1.031","","","","has coordinates","238590","2020-10-21","18:00:00",""
"7237765","5.9123","0.0006","13.2287","0.0013","18.6718","0.0019","90","","98.757","0.004","90","","1443.3","0.3","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 N4 -","- C17 H18 N4 -","- C68 H72 N16 -","4","1","","Walden, Melissa T.; Pander, Piotr; Yufit, Dmitry S.; Dias, Fernando B.; Williams, J. A. Gareth","Homoleptic platinum(ii) complexes with pyridyltriazole ligands: excimer-forming phosphorescent emitters for solution-processed OLEDs","Journal of Materials Chemistry C","2019","7","22","6592","","10.1039/C9TC00768G","","x-ray","0.71073","MoKα","","0.079","0.0467","","","0.0942","0.1057","","","","","","1.031","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237766","6.5952","0.0003","10.7367","0.0005","16.1585","0.0008","88.63","0.0017","83.5014","0.0017","85.8827","0.0017","1133.76","0.09","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H58 N8 Pt -","- C54 H58 N8 Pt -","- C54 H58 N8 Pt -","1","0.5","","Walden, Melissa T.; Pander, Piotr; Yufit, Dmitry S.; Dias, Fernando B.; Williams, J. A. Gareth","Homoleptic platinum(ii) complexes with pyridyltriazole ligands: excimer-forming phosphorescent emitters for solution-processed OLEDs","Journal of Materials Chemistry C","2019","7","22","6592","","10.1039/C9TC00768G","","x-ray","0.71073","MoKα","","0.036","0.0343","","","0.072","0.0729","","","","","","1.067","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237767","11.6673","0.0005","5.587","0.0003","21.8713","0.001","90","","101.028","0.0015","90","","1399.36","0.12","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 N8 Pt -","- C34 H34 N8 Pt -","- C68 H68 N16 Pt2 -","2","0.5","","Walden, Melissa T.; Pander, Piotr; Yufit, Dmitry S.; Dias, Fernando B.; Williams, J. A. Gareth","Homoleptic platinum(ii) complexes with pyridyltriazole ligands: excimer-forming phosphorescent emitters for solution-processed OLEDs","Journal of Materials Chemistry C","2019","7","22","6592","","10.1039/C9TC00768G","","x-ray","0.71073","MoKα","","0.0624","0.0377","","","0.0787","0.0847","","","","","","1.161","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237768","25.6","0.005","15.183","0.003","17.504","0.004","90","","91.36","0.03","90","","6802","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H28 Ir N3 O2 S2 -","- C42 H28 Ir N3 O2 S2 -","- C336 H224 Ir8 N24 O16 S16 -","8","2","","Kim, Hae Un; Jang, Ho Jin; Choi, Wanuk; Kim, Minjun; Park, Sungjin; Park, Taiho; Lee, Jun Yeob; K. S., Bejoymohandas","Ancillary ligand-assisted robust deep-red emission in iridium(iii) complexes for solution-processable phosphorescent OLEDs","Journal of Materials Chemistry C","2019","7","14","4143","","10.1039/C9TC00805E","","","0.62","synchrotron","","0.122","0.0657","","","0.1939","0.2096","","","","","","1.052","","","","has coordinates","238594","2020-10-21","18:00:00",""
"7237769","19.425","0.004","17.305","0.003","22.923","0.01","90","","109.86","0.03","90","","7247","4","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C44 H33 Cl2 Ir N3 O2 S2 -","- C43.989 H32.977 Cl1.984 Ir N3 O2 S2 -","- C351.912 H263.816 Cl15.872 Ir8 N24 O16 S16 -","8","1","","Kim, Hae Un; Jang, Ho Jin; Choi, Wanuk; Kim, Minjun; Park, Sungjin; Park, Taiho; Lee, Jun Yeob; K. S., Bejoymohandas","Ancillary ligand-assisted robust deep-red emission in iridium(iii) complexes for solution-processable phosphorescent OLEDs","Journal of Materials Chemistry C","2019","7","14","4143","","10.1039/C9TC00805E","","","0.62","synchrotron","","0.0481","0.0424","","","0.119","0.1221","","","","","","1.08","","","","has coordinates,has disorder","238594","2020-10-21","18:00:00",""
"7237770","20.752","0.001","24.4248","0.0014","29.3054","0.0016","90","","90","","90","","14853.8","1.4","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C34 H36 N5 O13 P3 Zn3 -","- C34 H26 N5 O12 P3 Zn3 -","- C544 H416 N80 O192 P48 Zn48 -","16","0.5","","Ge, Bang-Di; Han, Song-De; Wei, Qi; Li, Jin-Hua; Wang, Guo-Ming","Coordination-driven strategy towards crystalline hybrid photochromic materials via the marriage of a non-photochromic extended dipyridine unit and zincophosphate","Journal of Materials Chemistry C","2019","7","13","3920","","10.1039/C9TC00851A","","","0.71073","MoKα","","0.0719","0.0472","","","0.1356","0.1517","","","","","","0.916","","","","has coordinates,has disorder","238596","2020-10-21","18:00:00",""
"7237771","26.027","0.002","10.6307","0.0009","9.03","0.0007","90","","95.901","0.008","90","","2485.2","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H13 N O7 P Zn -","- C8 H7 N O5 P Zn -","- C64 H56 N8 O40 P8 Zn8 -","8","1","","Ge, Bang-Di; Han, Song-De; Wei, Qi; Li, Jin-Hua; Wang, Guo-Ming","Coordination-driven strategy towards crystalline hybrid photochromic materials via the marriage of a non-photochromic extended dipyridine unit and zincophosphate","Journal of Materials Chemistry C","2019","7","13","3920","","10.1039/C9TC00851A","","","0.71073","MoKα","","0.0364","0.0295","","","0.0696","0.0717","","","","","","1","","","","has coordinates","238596","2020-10-21","18:00:00",""
"7237772","10.3","0.002","12.51","0.003","19.44","0.004","96.92","0.03","101.63","0.03","109.63","0.03","2262.3","1.1","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H24 F N O2 -","- C29 H24 F N O2 -","- C116 H96 F4 N4 O8 -","4","2","","Tao, Yi Chen; Wang, Xue Dong; Liao, Liang Sheng","Active whispering-gallery-mode optical microcavity based on self-assembled organic microspheres","Journal of Materials Chemistry C","2019","7","12","3443","","10.1039/C9TC00866G","","","0.71073","MoKα","","0.12","0.1011","","","0.2535","0.2686","","","","","","1.216","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237773","6.4455","0.0005","11.5324","0.0008","13.9706","0.001","96.465","0.006","93.121","0.006","90.16","0.006","1030.29","0.13","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C25 H16 N4 S -","- C25 H16 N4 S -","- C50 H32 N8 S2 -","2","1","","Wang, Zaibin; Peng, Zhixing; Huang, Kai; Lu, Ping; Wang, Yanguang","Butterfly-shaped π-extended benzothiadiazoles as promising emitting materials for white OLEDs","Journal of Materials Chemistry C","2019","7","22","6706","","10.1039/C9TC01059A","","","0.71073","MoKα","","0.0798","0.0529","","","0.1292","0.1556","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237774","10.1869","0.0006","13.2164","0.0007","16.2017","0.001","104.63","0.005","105.673","0.006","102.379","0.005","1936.3","0.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C49 H32 N4 O3 S -","- C49 H32 N4 O3 S -","- C98 H64 N8 O6 S2 -","2","1","","Wang, Zaibin; Peng, Zhixing; Huang, Kai; Lu, Ping; Wang, Yanguang","Butterfly-shaped π-extended benzothiadiazoles as promising emitting materials for white OLEDs","Journal of Materials Chemistry C","2019","7","22","6706","","10.1039/C9TC01059A","","","0.71073","MoKα","","0.1124","0.0656","","","0.168","0.2063","","","","","","1.036","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237775","8.7103","0.0009","9.1725","0.0009","25.594","0.002","90","","97.276","0.009","90","","2028.4","0.3","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 O2 S -","- C24 H16 N2 O2 S -","- C96 H64 N8 O8 S4 -","4","1","","Wang, Zaibin; Peng, Zhixing; Huang, Kai; Lu, Ping; Wang, Yanguang","Butterfly-shaped π-extended benzothiadiazoles as promising emitting materials for white OLEDs","Journal of Materials Chemistry C","2019","7","22","6706","","10.1039/C9TC01059A","","","0.71073","MoKα","","0.087","0.0531","","","0.1287","0.1534","","","","","","1.038","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237776","7.6706","0.0005","13.0303","0.0009","21.6554","0.0011","90","","95.183","0.005","90","","2155.6","0.2","150.1","","150.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 N4 S -","- C26 H22 N4 S -","- C104 H88 N16 S4 -","4","1","","Wang, Zaibin; Peng, Zhixing; Huang, Kai; Lu, Ping; Wang, Yanguang","Butterfly-shaped π-extended benzothiadiazoles as promising emitting materials for white OLEDs","Journal of Materials Chemistry C","2019","7","22","6706","","10.1039/C9TC01059A","","","0.71073","MoKα","","0.0729","0.0492","","","0.1186","0.137","","","","","","1.016","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237777","8.3327","0.0007","9.9524","0.001","23.283","0.002","90","","91.689","0.008","90","","1930","0.3","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H13 N3 O S -","- C24 H13 N3 O S -","- C96 H52 N12 O4 S4 -","4","1","","Wang, Zaibin; Peng, Zhixing; Huang, Kai; Lu, Ping; Wang, Yanguang","Butterfly-shaped π-extended benzothiadiazoles as promising emitting materials for white OLEDs","Journal of Materials Chemistry C","2019","7","22","6706","","10.1039/C9TC01059A","","","0.71073","MoKα","","0.0961","0.0527","","","0.1291","0.1659","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237778","11.7169","0.0014","37.416","0.004","8.5164","0.0011","90","","108.75","0.014","90","","3535.4","0.8","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H30 N4 S -","- C46 H30 N4 S -","- C184 H120 N16 S4 -","4","1","","Wang, Zaibin; Peng, Zhixing; Huang, Kai; Lu, Ping; Wang, Yanguang","Butterfly-shaped π-extended benzothiadiazoles as promising emitting materials for white OLEDs","Journal of Materials Chemistry C","2019","7","22","6706","","10.1039/C9TC01059A","","","0.71073","MoKα","","0.1105","0.0626","","","0.129","0.1582","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237779","9.186","0.0004","13.2712","0.0005","32.6386","0.0013","84.348","0.003","88.603","0.003","78.751","0.004","3883.5","0.3","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C93 H54 Cl2 N8 O4 S2 -","- C93 H54 Cl2 N8 O4 S2 -","- C186 H108 Cl4 N16 O8 S4 -","2","1","","Wang, Zaibin; Peng, Zhixing; Huang, Kai; Lu, Ping; Wang, Yanguang","Butterfly-shaped π-extended benzothiadiazoles as promising emitting materials for white OLEDs","Journal of Materials Chemistry C","2019","7","22","6706","","10.1039/C9TC01059A","","","0.71073","MoKα","","0.1521","0.0733","","","0.1693","0.2139","","","","","","1.015","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237780","26.1955","0.0007","11.4152","0.0002","19.6629","0.0004","90","","110.559","0.003","90","","5505.3","0.2","150.01","0.1","150.01","0.1","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H56 N2 O12 -","- C64 H56 N2 O12 -","- C256 H224 N8 O48 -","4","1","","Mora-Fuentes, Juan P.; Cortizo-Lacalle, Diego; Collavini, Silvia; Strutyński, Karol; Tress, Wolfgang R.; Saliba, Michael; Zakeeruddin, Shaik M.; Kosta, Ivet; Melle-Franco, Manuel; Grätzel, Michael; Delgado, Juan Luis; Mateo-Alonso, Aurelio","A partially-planarised hole-transporting quart-p-phenylene for perovskite solar cells","Journal of Materials Chemistry C","2019","7","15","4332","","10.1039/C9TC01076A","","x-ray","1.54184","CuKα","","0.0675","0.0498","","","0.1285","0.1406","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237781","23.323","0.002","3.8319","0.0003","31.479","0.003","90","","90.288","0.004","90","","2813.3","0.4","149","2","149.25","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 Cl N O -","- C19 H12 Cl N O -","- C152 H96 Cl8 N8 O8 -","8","1","","Peng, Jiang; Ye, Kaiqi; Liu, Cheng; Sun, Jingbo; Lu, Ran","The photomechanic effects of the molecular crystals based on 5-chloro-2-(naphthalenylvinyl)benzoxazols fueled by topo-photochemical reactions","Journal of Materials Chemistry C","2019","7","18","5433","","10.1039/C9TC01084J","","","0.71073","MoKα","","0.0751","0.0604","","","0.1146","0.1195","","","","","","1.228","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237782","9.8015","0.0004","12.0723","0.0006","12.9926","0.0006","71.138","0.002","85.828","0.002","79.452","0.002","1430.08","0.11","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H24 Cl2 N2 O2 -","- C38 H24 Cl2 N2 O2 -","- C76 H48 Cl4 N4 O4 -","2","1","","Peng, Jiang; Ye, Kaiqi; Liu, Cheng; Sun, Jingbo; Lu, Ran","The photomechanic effects of the molecular crystals based on 5-chloro-2-(naphthalenylvinyl)benzoxazols fueled by topo-photochemical reactions","Journal of Materials Chemistry C","2019","7","18","5433","","10.1039/C9TC01084J","","","0.71073","MoKα","","0.0707","0.0579","","","0.1513","0.1581","","","","","","1.148","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237783","3.972","0.0003","12.2566","0.0007","16.4309","0.0011","79.392","0.004","86.478","0.004","84.244","0.004","781.52","0.09","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H14 Cl N O2 -","- C20 H14 Cl N O2 -","- C40 H28 Cl2 N2 O4 -","2","1","","Peng, Jiang; Ye, Kaiqi; Liu, Cheng; Sun, Jingbo; Lu, Ran","The photomechanic effects of the molecular crystals based on 5-chloro-2-(naphthalenylvinyl)benzoxazols fueled by topo-photochemical reactions","Journal of Materials Chemistry C","2019","7","18","5433","","10.1039/C9TC01084J","","","0.71073","MoKα","","0.0804","0.0467","","","0.1008","0.1142","","","","","","1.022","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237784","10.2664","0.0004","11.4804","0.0004","13.9234","0.0006","106.434","0.002","108.935","0.002","99.36","0.002","1429.08","0.1","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H24 Cl2 N2 O2 -","- C38 H24 Cl2 N2 O2 -","- C76 H48 Cl4 N4 O4 -","2","1","","Peng, Jiang; Ye, Kaiqi; Liu, Cheng; Sun, Jingbo; Lu, Ran","The photomechanic effects of the molecular crystals based on 5-chloro-2-(naphthalenylvinyl)benzoxazols fueled by topo-photochemical reactions","Journal of Materials Chemistry C","2019","7","18","5433","","10.1039/C9TC01084J","","","0.71073","MoKα","","0.0465","0.0378","","","0.0919","0.0973","","","","","","1.02","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237785","10.118","0.002","9.1993","0.0018","20.098","0.004","90","","100.49","0.03","90","","1839.4","0.7","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-2y","","- C20 H21 N3 O3 -","- C20 H21 N3 O3 -","- C80 H84 N12 O12 -","4","1","","Chen, Qiaonan; Liang, Xiao; Du, Jiahui; Wei, Zhonglin; Zhang, Yu-Mo; Zhang, Ting; Qin, Tianyou; Gao, Wenbin; Sheng, Lan; Zhang, Sean Xiao-An","Construction of highly fluorescent N–O seven-membered heterocycles via thermo-oxidation of oxazolidines","Journal of Materials Chemistry C","2019","7","26","8045","","10.1039/C9TC01199D","","","0.71073","MoKα","","0.069","0.0466","","","0.1199","0.1289","","","","","","1.057","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237786","20.1317","0.001","7.478","0.0004","13.4306","0.0006","90","","94.394","0.002","90","","2015.96","0.17","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 I N2 O -","- C22 H25 I N2 O -","- C88 H100 I4 N8 O4 -","4","1","","Chen, Qiaonan; Liang, Xiao; Du, Jiahui; Wei, Zhonglin; Zhang, Yu-Mo; Zhang, Ting; Qin, Tianyou; Gao, Wenbin; Sheng, Lan; Zhang, Sean Xiao-An","Construction of highly fluorescent N–O seven-membered heterocycles via thermo-oxidation of oxazolidines","Journal of Materials Chemistry C","2019","7","26","8045","","10.1039/C9TC01199D","","","0.71073","MoKα","","0.0576","0.0378","","","0.0777","0.0869","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237787","9.4276","0.0005","10.1879","0.0005","11.1539","0.0006","111.641","0.001","97.79","0.002","99.874","0.002","957.65","0.09","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 I N O2 -","- C21 H22 I N O2 -","- C42 H44 I2 N2 O4 -","2","1","","Chen, Qiaonan; Liang, Xiao; Du, Jiahui; Wei, Zhonglin; Zhang, Yu-Mo; Zhang, Ting; Qin, Tianyou; Gao, Wenbin; Sheng, Lan; Zhang, Sean Xiao-An","Construction of highly fluorescent N–O seven-membered heterocycles via thermo-oxidation of oxazolidines","Journal of Materials Chemistry C","2019","7","26","8045","","10.1039/C9TC01199D","","","0.71073","MoKα","","0.0398","0.0318","","","0.0732","0.0789","","","","","","1.015","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237788","6.4834","0.0013","23.56","0.005","14.458","0.003","90","","100.21","0.03","90","","2173.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 I N3 O3 -","- C22 H24 I N3 O3 -","- C88 H96 I4 N12 O12 -","4","1","","Chen, Qiaonan; Liang, Xiao; Du, Jiahui; Wei, Zhonglin; Zhang, Yu-Mo; Zhang, Ting; Qin, Tianyou; Gao, Wenbin; Sheng, Lan; Zhang, Sean Xiao-An","Construction of highly fluorescent N–O seven-membered heterocycles via thermo-oxidation of oxazolidines","Journal of Materials Chemistry C","2019","7","26","8045","","10.1039/C9TC01199D","","","0.71073","MoKα","","0.0405","0.032","","","0.0724","0.0774","","","","","","1.124","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237789","17.329","0.0006","11.769","0.0007","8.427","0.0013","90","","91.721","0.003","90","","1717.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Poly[(mu-2-aminopyridine-3-carboxylato-kO:kO')(mu3-2-aminopyridine-3-carboxylato-kO:k2O,O':kN)(mu-dimethylformamide)strontium(II)]","","- C15 H17 N5 O5 Sr -","- C15 H17 N5 O5 Sr -","- C60 H68 N20 O20 Sr4 -","4","1","","Pajuelo-Corral, Oier; Rodríguez-Diéguez, Antonio; Beobide, Garikoitz; Pérez-Yáñez, Sonia; García, Jose A.; San Sebastian, Eider; Seco, Jose M.; Cepeda, Javier","Alkaline-earth and aminonicotinate based coordination polymers with combined fluorescence/long-lasting phosphorescence and metal ion sensing response","Journal of Materials Chemistry C","2019","7","23","6997","","10.1039/C9TC01300H","","","0.71073","MoKα","","0.0636","0.0458","","","0.1033","0.1119","","","","","","1.062","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237790","17.335","0.0014","12.919","0.001","7.49","0.0006","90","","91.44","0.003","90","","1676.9","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly{[diaquabis(mu-6-aminopyridine-3-carboxylato-k2O,O':kO)calcium(II)]trihydrate}","","- C12 H20 Ca N4 O9 -","- C12 H20 Ca N4 O9 -","- C48 H80 Ca4 N16 O36 -","4","0.5","","Pajuelo-Corral, Oier; Rodríguez-Diéguez, Antonio; Beobide, Garikoitz; Pérez-Yáñez, Sonia; García, Jose A.; San Sebastian, Eider; Seco, Jose M.; Cepeda, Javier","Alkaline-earth and aminonicotinate based coordination polymers with combined fluorescence/long-lasting phosphorescence and metal ion sensing response","Journal of Materials Chemistry C","2019","7","23","6997","","10.1039/C9TC01300H","","","0.71073","MoKα","","0.032","0.0279","","","0.0716","0.0742","","","","","","1.078","","","","has coordinates","238608","2020-10-21","18:00:00",""
"7237791","17.6609","0.001","13.0103","0.0006","7.5971","0.0004","90","","91.478","0.002","90","","1745.03","0.16","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Poly{[diaquabis(mu-6-aminopyridine-3-carboxylato-k2O,O':kO)strontium(II)]trihydrate}","","- C12 H20 N4 O9 Sr -","- C12 H20 N4 O9 Sr -","- C48 H80 N16 O36 Sr4 -","4","0.5","","Pajuelo-Corral, Oier; Rodríguez-Diéguez, Antonio; Beobide, Garikoitz; Pérez-Yáñez, Sonia; García, Jose A.; San Sebastian, Eider; Seco, Jose M.; Cepeda, Javier","Alkaline-earth and aminonicotinate based coordination polymers with combined fluorescence/long-lasting phosphorescence and metal ion sensing response","Journal of Materials Chemistry C","2019","7","23","6997","","10.1039/C9TC01300H","","","0.71073","MoKα","","0.0362","0.0258","","","0.0569","0.0586","","","","","","1.089","","","","has coordinates","238608","2020-10-21","18:00:00",""
"7237792","7.5972","0.0008","13.9199","0.0014","18.3585","0.0019","100.489","0.002","91.139","0.002","102.556","0.002","1859.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H24 F10 O8 -","- C44 H24 F10 O8 -","- C88 H48 F20 O16 -","2","1","","Sharber, Seth A.; Mann, Arielle; Shih, Kuo-Chih; Mullin, William J.; Nieh, Mu-Ping; Thomas, Samuel W.","Directed polymorphism and mechanofluorochromism of conjugated materials through weak non-covalent control","Journal of Materials Chemistry C","2019","7","27","8316","","10.1039/C9TC01301F","","","0.71073","MoKα","","0.0606","0.0457","","","0.1206","0.1347","","","","","","1.04","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237793","5.1931","0.0013","13.104","0.003","28.245","0.007","90","","93.665","0.005","90","","1918.2","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C46 H28 F10 O8 -","- C46 H28 F10 O8 -","- C92 H56 F20 O16 -","2","0.5","","Sharber, Seth A.; Mann, Arielle; Shih, Kuo-Chih; Mullin, William J.; Nieh, Mu-Ping; Thomas, Samuel W.","Directed polymorphism and mechanofluorochromism of conjugated materials through weak non-covalent control","Journal of Materials Chemistry C","2019","7","27","8316","","10.1039/C9TC01301F","","","0.71073","MoKα","","0.0888","0.0651","","","0.1702","0.2108","","","","","","1.059","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237794","14.591","0.0006","5.8584","0.0002","26.0228","0.0011","90","","101.623","0.001","90","","2178.81","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H22 Cl6 F10 O8 -","- C44 H22 Cl6 F10 O8 -","- C88 H44 Cl12 F20 O16 -","2","0.5","","Sharber, Seth A.; Mann, Arielle; Shih, Kuo-Chih; Mullin, William J.; Nieh, Mu-Ping; Thomas, Samuel W.","Directed polymorphism and mechanofluorochromism of conjugated materials through weak non-covalent control","Journal of Materials Chemistry C","2019","7","27","8316","","10.1039/C9TC01301F","","","0.71073","MoKα","","0.0711","0.0448","","","0.0952","0.1066","","","","","","1.029","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237795","13.7988","0.0016","15.4277","0.0018","19.196","0.002","97.224","0.003","97.656","0.002","101.419","0.002","3920.9","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H28 F10 O8 -","- C46 H28 F10 O8 -","- C184 H112 F40 O32 -","4","2","","Sharber, Seth A.; Mann, Arielle; Shih, Kuo-Chih; Mullin, William J.; Nieh, Mu-Ping; Thomas, Samuel W.","Directed polymorphism and mechanofluorochromism of conjugated materials through weak non-covalent control","Journal of Materials Chemistry C","2019","7","27","8316","","10.1039/C9TC01301F","","","0.71073","MoKα","","0.0596","0.0437","","","0.1174","0.1356","","","","","","1.047","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237796","22.23","0.03","7.883","0.009","23.37","0.03","90","","94.09","0.05","90","","4085","9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 F10 O4 -","- C48 H32 F10 O8 -","- C192 H128 F40 O32 -","4","1","","Sharber, Seth A.; Mann, Arielle; Shih, Kuo-Chih; Mullin, William J.; Nieh, Mu-Ping; Thomas, Samuel W.","Directed polymorphism and mechanofluorochromism of conjugated materials through weak non-covalent control","Journal of Materials Chemistry C","2019","7","27","8316","","10.1039/C9TC01301F","","","0.71073","MoKα","","0.0395","0.031","","","0.0782","0.0837","","","","","","1.03","","","","has coordinates","238611","2020-10-21","18:00:00",""
"7237797","15.321","0.017","12.734","0.014","13.342","0.016","90","","106","0.02","90","","2502","5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H27 N O2 -","- C34 H27 N O2 -","- C136 H108 N4 O8 -","4","1","","Sun, Hao; Sun, Shan-Shan; Han, Fang-Fang; Ni, Zhong-Hai; Zhang, Ran; Li, Ming-De","A new tetraphenylethene-based Schiff base: two crystalline polymorphs exhibiting totally different photochromic and fluorescence properties","Journal of Materials Chemistry C","2019","7","23","7053","","10.1039/C9TC01312A","","","0.71073","MoKα","","0.1123","0.048","","","0.1014","0.118","","","","","","0.938","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237798","17.068","0.0009","22.1154","0.0012","6.8408","0.0004","90","","92.044","0.005","90","","2580.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H27 N O2 -","- C34 H27 N O2 -","- C136 H108 N4 O8 -","4","1","","Sun, Hao; Sun, Shan-Shan; Han, Fang-Fang; Ni, Zhong-Hai; Zhang, Ran; Li, Ming-De","A new tetraphenylethene-based Schiff base: two crystalline polymorphs exhibiting totally different photochromic and fluorescence properties","Journal of Materials Chemistry C","2019","7","23","7053","","10.1039/C9TC01312A","","","0.71073","MoKα","","0.0719","0.05","","","0.1141","0.1231","","","","","","1.008","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237799","11.097","0.002","11.981","0.002","15.854","0.003","90","","90.23","0.03","90","","2107.8","0.7","173.15","","173.15","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C32 H18 -","- C32 H18 -","- C128 H72 -","4","1","","Liu, Dan; Li, Chenguang; Niu, Shujie; Li, Yang; Hu, Mengxiao; Li, Qingyuan; Zhu, Weigang; Zhang, Xiaotao; Dong, Huanli; Hu, Wenping","A case study of tuning the crystal polymorphs of organic semiconductors towards simultaneously improved light emission and field-effect properties","Journal of Materials Chemistry C","2019","7","20","5925","","10.1039/C9TC01321K","","","0.71073","MoKα","","0.0854","0.075","","","0.1395","0.1453","","","","","","1.209","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237800","3.9406","0.0001","19.7156","0.0005","30.0106","0.0011","90","","90","","90","","2331.56","0.12","173","2","173.15","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C32 H18 -","- C32 H18 -","- C128 H72 -","4","1","","Liu, Dan; Li, Chenguang; Niu, Shujie; Li, Yang; Hu, Mengxiao; Li, Qingyuan; Zhu, Weigang; Zhang, Xiaotao; Dong, Huanli; Hu, Wenping","A case study of tuning the crystal polymorphs of organic semiconductors towards simultaneously improved light emission and field-effect properties","Journal of Materials Chemistry C","2019","7","20","5925","","10.1039/C9TC01321K","","","0.71073","MoKα","","0.0553","0.0412","","","0.0964","0.1027","","","","","","1.082","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237801","9.2204","0.0002","14.1323","0.0002","18.1564","0.0003","68.356","0.001","87.731","0.001","72.406","0.001","2089.29","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C101 H75 Cl9 N8 -","- C101 H75 Cl9 N8 -","- C101 H75 Cl9 N8 -","1","0.5","","Zhang, Qing; Sun, Shuaiqiang; Liu, Wei; Leng, Panpan; Lv, Xialei; Wang, Yaxiong; Chen, Hongting; Ye, Shaofeng; Zhuang, Shaoqing; Wang, Lei","Integrating TADF luminogens with AIE characteristics using a novel acridine‒carbazole hybrid as donor for high-performance and low efficiency roll-off OLEDs","Journal of Materials Chemistry C","2019","7","31","9487","","10.1039/C9TC01329F","","","1.54184","CuKα","","0.0573","0.056","","","0.1448","0.1458","","","","","","1.036","","","","has coordinates,has disorder","238620","2020-10-21","18:00:00",""
"7237802","8.6542","0.0001","13.9251","0.0003","15.9263","0.0003","69.557","0.002","78.218","0.001","81.343","0.002","1753.95","0.06","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","34AcCz-Trz","34AcCz-Trz","","- C48 H35 N5 -","- C48 H35 N5 -","- C96 H70 N10 -","2","1","","Zhang, Qing; Sun, Shuaiqiang; Liu, Wei; Leng, Panpan; Lv, Xialei; Wang, Yaxiong; Chen, Hongting; Ye, Shaofeng; Zhuang, Shaoqing; Wang, Lei","Integrating TADF luminogens with AIE characteristics using a novel acridine–carbazole hybrid as donor for high-performance and low efficiency roll-off OLEDs","Journal of Materials Chemistry C","2019","7","31","9487","","10.1039/C9TC01329F","","x-ray","1.54184","CuKα","","0.0391","0.0375","","","0.0971","0.0982","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237803","14.4699","0.0009","8.9409","0.0004","12.7644","0.0009","90","","102.94","0.007","90","","1609.44","0.17","293","2","293.15","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C30 H46 N6 O6 -","- C30 H46 N6 O6 -","- C60 H92 N12 O12 -","2","0.5","","Wang, Man; Cheng, Caiqi; Li, Chunbo; Wu, Dehua; Song, Jintong; Wang, Jun; Zhou, Xiangge; Xiang, Haifeng; Liu, Jin","Smart, chiral, and nonconjugated cyclohexane-based bis-salicylaldehyde hydrazides: multi-stimuli-responsive, turn-on, ratiometric, and thermochromic fluorescence, single-crystal structures via DFT calculations","Journal of Materials Chemistry C","2019","7","22","6767","","10.1039/C9TC01337G","","x-ray","0.71073","MoKα","","0.0863","0.0597","","","0.1448","0.1672","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237804","10.66","0.0003","10.66","0.0003","24.2225","0.0006","90","","90","","120","","2383.77","0.11","295.84","0.16","295.84","0.16","","","","","","","","5","P 32","P 32","145","","","","- C28 H36 Cl2 N6 O6 -","- C28 H36 Cl2 N6 O6 -","- C84 H108 Cl6 N18 O18 -","3","1","","Wang, Man; Cheng, Caiqi; Li, Chunbo; Wu, Dehua; Song, Jintong; Wang, Jun; Zhou, Xiangge; Xiang, Haifeng; Liu, Jin","Smart, chiral, and nonconjugated cyclohexane-based bis-salicylaldehyde hydrazides: multi-stimuli-responsive, turn-on, ratiometric, and thermochromic fluorescence, single-crystal structures via DFT calculations","Journal of Materials Chemistry C","2019","7","22","6767","","10.1039/C9TC01337G","","x-ray","1.54184","CuKα","","0.0663","0.062","","","0.1633","0.1709","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237805","20.73","0.002","4.899","0.0004","31.185","0.003","90","","107.945","0.011","90","","3013","0.5","293","2","293.15","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C30 H42 N6 O4 -","- C30 H42 N6 O4 -","- C120 H168 N24 O16 -","4","1","","Wang, Man; Cheng, Caiqi; Li, Chunbo; Wu, Dehua; Song, Jintong; Wang, Jun; Zhou, Xiangge; Xiang, Haifeng; Liu, Jin","Smart, chiral, and nonconjugated cyclohexane-based bis-salicylaldehyde hydrazides: multi-stimuli-responsive, turn-on, ratiometric, and thermochromic fluorescence, single-crystal structures via DFT calculations","Journal of Materials Chemistry C","2019","7","22","6767","","10.1039/C9TC01337G","","x-ray","0.71073","MoKα","","0.0769","0.052","","","0.1142","0.1317","","","","","","1.007","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237806","10.7942","0.0008","11.0971","0.0009","15.1654","0.0009","95.79","0.006","104.335","0.006","114.902","0.008","1552.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H28 Cl2 N4 O7 S2 -","- C24 H28 Cl2 N4 O7 S2 -","- C48 H56 Cl4 N8 O14 S4 -","2","1","","Wang, Man; Cheng, Caiqi; Li, Chunbo; Wu, Dehua; Song, Jintong; Wang, Jun; Zhou, Xiangge; Xiang, Haifeng; Liu, Jin","Smart, chiral, and nonconjugated cyclohexane-based bis-salicylaldehyde hydrazides: multi-stimuli-responsive, turn-on, ratiometric, and thermochromic fluorescence, single-crystal structures via DFT calculations","Journal of Materials Chemistry C","2019","7","22","6767","","10.1039/C9TC01337G","","x-ray","0.71073","MoKα","","0.1539","0.1115","","","0.351","0.3966","","","","","","1.381","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237807","20.776","0.004","4.8989","0.0006","31.193","0.007","90","","108.04","0.02","90","","3018.7","1","293","2","293.15","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C30 H42 N6 O4 -","- C30 H42 N6 O4 -","- C120 H168 N24 O16 -","4","1","","Wang, Man; Cheng, Caiqi; Li, Chunbo; Wu, Dehua; Song, Jintong; Wang, Jun; Zhou, Xiangge; Xiang, Haifeng; Liu, Jin","Smart, chiral, and nonconjugated cyclohexane-based bis-salicylaldehyde hydrazides: multi-stimuli-responsive, turn-on, ratiometric, and thermochromic fluorescence, single-crystal structures via DFT calculations","Journal of Materials Chemistry C","2019","7","22","6767","","10.1039/C9TC01337G","","x-ray","0.71073","MoKα","","0.0829","0.052","","","0.1225","0.1443","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237808","10.6849","0.0003","17.9849","0.0006","20.2503","0.0005","91.331","0.002","97.757","0.002","93.114","0.003","3848.3","0.19","291.9","0.4","291.9","0.4","","","","","","","","5","P 1","P 1","1","","","","- C22.33 H23 Cl2 N4 O4.33 -","- C22.3333 H23 Cl2 N4 O4.33333 -","- C134 H138 Cl12 N24 O26 -","6","6","","Wang, Man; Cheng, Caiqi; Li, Chunbo; Wu, Dehua; Song, Jintong; Wang, Jun; Zhou, Xiangge; Xiang, Haifeng; Liu, Jin","Smart, chiral, and nonconjugated cyclohexane-based bis-salicylaldehyde hydrazides: multi-stimuli-responsive, turn-on, ratiometric, and thermochromic fluorescence, single-crystal structures via DFT calculations","Journal of Materials Chemistry C","2019","7","22","6767","","10.1039/C9TC01337G","","x-ray","1.54184","CuKα","","0.0533","0.0493","","","0.1334","0.1391","","","","","","1.034","","","","has coordinates","238623","2020-10-21","18:00:00",""
"7237809","14.7597","0.0004","13.1892","0.0003","25.413","0.0006","90","","94.013","0.002","90","","4935","0.2","290.4","0.4","290.4","0.4","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23.5 H25.5 Cl2 N4.5 O4.5 -","- C23.5 H25.5 Cl2 N4.5 O4.5 -","- C188 H204 Cl16 N36 O36 -","8","2","","Wang, Man; Cheng, Caiqi; Li, Chunbo; Wu, Dehua; Song, Jintong; Wang, Jun; Zhou, Xiangge; Xiang, Haifeng; Liu, Jin","Smart, chiral, and nonconjugated cyclohexane-based bis-salicylaldehyde hydrazides: multi-stimuli-responsive, turn-on, ratiometric, and thermochromic fluorescence, single-crystal structures via DFT calculations","Journal of Materials Chemistry C","2019","7","22","6767","","10.1039/C9TC01337G","","x-ray","1.54184","CuKα","","0.0704","0.0626","","","0.1735","0.1853","","","","","","1.033","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237810","11.502","0.003","18.947","0.004","16.97","0.004","90","","98.42","0.004","90","","3658.4","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H26 F12 Ir N3 S2 -","- C33 H26 F12 Ir N3 S2 -","- C132 H104 F48 Ir4 N12 S8 -","4","1","","Lu, Guang-Zhao; Tu, Zhen-Long; Liu, Liang; Zhang, Wen-Wei; Zheng, You-Xuan","Fast synthesis of iridium(iii) complexes with sulfur-containing ancillary ligand for high-performance green OLEDs with EQE exceeding 31%","Journal of Materials Chemistry C","2019","7","24","7273","","10.1039/C9TC01397K","","","0.71073","MoKα","","0.0555","0.0359","","","0.0862","0.0996","","","","","","1.093","","","","has coordinates","238626","2020-10-21","18:00:00",""
"7237811","17.763","0.002","11.7754","0.0014","17.58","0.002","90","","103.941","0.002","90","","3568.8","0.7","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H24 F12 Ir N5 S2 -","- C31 H24 F12 Ir N5 S2 -","- C124 H96 F48 Ir4 N20 S8 -","4","0.5","","Lu, Guang-Zhao; Tu, Zhen-Long; Liu, Liang; Zhang, Wen-Wei; Zheng, You-Xuan","Fast synthesis of iridium(iii) complexes with sulfur-containing ancillary ligand for high-performance green OLEDs with EQE exceeding 31%","Journal of Materials Chemistry C","2019","7","24","7273","","10.1039/C9TC01397K","","","0.71073","MoKα","","0.06","0.0451","","","0.1015","0.1099","","","","","","1.021","","","","has coordinates,has disorder","238626","2020-10-21","18:00:00",""
"7237812","15.709","0.0007","19.7575","0.0009","21.8169","0.0009","90","","90","","90","","6771.3","0.5","296","2","296","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C31 H28 F6 Ir N3 S2 -","- C31 H28 F6 Ir N3 S2 -","- C248 H224 F48 Ir8 N24 S16 -","8","1","","Lu, Guang-Zhao; Tu, Zhen-Long; Liu, Liang; Zhang, Wen-Wei; Zheng, You-Xuan","Fast synthesis of iridium(iii) complexes with sulfur-containing ancillary ligand for high-performance green OLEDs with EQE exceeding 31%","Journal of Materials Chemistry C","2019","7","24","7273","","10.1039/C9TC01397K","","","0.71073","MoKα","","0.0287","0.0212","","","0.0506","0.0547","","","","","","1.075","","","","has coordinates","238626","2020-10-21","18:00:00",""
"7237813","8.7906","0.0004","9.4467","0.0004","20.6771","0.0009","92.102","0.004","101.38","0.004","94.483","0.004","1675.78","0.13","173","2","173","2","","","","","","","","3","P -1","-P 1","2","1-Phenyl-2-(3-(1,2,2-triphenylvinyl)phenyl)-1H-phenanthro [9,10-d]imidazole (mTPI)","mTPI","","- C47 H32 N2 -","- C47 H32 N2 -","- C94 H64 N4 -","2","1","","Zhang, Han; Zeng, Jiajie; Luo, Wenwen; Wu, Haozhong; Zeng, Cheng; Zhang, Kexin; Feng, Weiqiang; Wang, Zhiming; Zhao, Zujin; Tang, Ben Zhong","Synergistic tuning of the optical and electrical performance of AIEgens with a hybridized local and charge-transfer excited state","Journal of Materials Chemistry C","2019","7","21","6359","","10.1039/C9TC01453E","","","0.71073","MoKα","","0.068","0.0444","","","0.1047","0.1149","","","","","","1.022","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237814","7.8877","0.0005","15.1186","0.0012","4.7885","0.0004","90","","90","","90","","571.03","0.08","293","2","293","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C2 H2 Gd O6 -","- C2 Gd O6 -","- C8 Gd4 O24 -","4","0.25","","Li, Jin-Hua; Liu, Ai-Ju; Ma, Yu-Juan; Han, Song-De; Hu, Ji-Xiang; Wang, Guo-Ming","A large magnetocaloric effect in two hybrid Gd-complexes: the synergy of inorganic and organic ligands towards excellent cryo-magnetic coolants","Journal of Materials Chemistry C","2019","7","21","6352","","10.1039/C9TC01475F","","","0.71073","MoKα","","0.0265","0.0261","","","0.0674","0.0678","","","","","","1.099","","","","has coordinates","238630","2020-10-21","18:00:00",""
"7237815","14.8846","0.0005","31.8944","0.001","11.5391","0.0004","90","","97.384","0.003","90","","5432.6","0.3","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H64 Cl2 N4 O2 S -","- C62 H64 Cl2 N4 O2 S -","- C248 H256 Cl8 N16 O8 S4 -","4","1","","Rajamalli, Pachaiyappan; Chen, Dongyang; Li, Wenbo; Samuel, Ifor D. W.; Cordes, David B.; Slawin, Alexandra M. Z.; Zysman-Colman, Eli","Enhanced thermally activated delayed fluorescence through bridge modification in sulfone-based emitters employed in deep blue organic light-emitting diodes","Journal of Materials Chemistry C","2019","7","22","6664","","10.1039/C9TC01498E","","","0.71073","MoKα","","0.1276","0.0623","","","0.1509","0.1757","","","","","","1.033","","","","has coordinates,has disorder","238632","2020-10-21","18:00:00",""
"7237816","21.161","0.003","8.4097","0.001","26.306","0.003","90","","110.612","0.004","90","","4381.7","1","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H30 F6 Ir N4 O2 P S2 -","- C50 H30 F6 Ir N4 O2 P S2 -","- C200 H120 F24 Ir4 N16 O8 P4 S8 -","4","1","","Su, Ning; Yang, Hui-Qing; Shen, Cheng-Zhen; Yan, Zhi-Ping; Chen, Zhao-Xu; Zheng, You-Xuan","Rapid room temperature synthesis of red iridium(iii) complexes with Ir‒S‒P‒S structures for efficient OLEDs","Journal of Materials Chemistry C","2019","7","23","6972","","10.1039/C9TC01564G","","","1.34139","GaKα","","0.0908","0.0698","","","0.1929","0.2095","","","","","","1.116","","","","has coordinates,has disorder","238634","2020-10-21","18:00:00",""
"7237817","14.7129","0.0012","27.748","0.003","18.5982","0.0016","90","","92.283","0.001","90","","7586.8","1.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C91 H79 Br2 Cl3 O2 -","- C91 H79 Br2 Cl3 O2 -","- C364 H316 Br8 Cl12 O8 -","4","1","","Song, Tingting; Han, Yanbing; Jin, Pengcheng; Li, Xiaofang; Song, Yinglin; Xiao, Jinchong","The enhanced two-photon absorption behavior of twistfuranacenes to phenylacetylene-functionalized twistacenes","Journal of Materials Chemistry C","2019","7","21","6344","","10.1039/C9TC01568J","","","0.71073","MoKα","","0.1872","0.0558","","","0.0898","0.0991","","","","","","1.044","","","","has coordinates,has disorder","238637","2020-10-21","18:00:00",""
"7237818","14.8148","0.0013","15.4447","0.0014","23.368","0.002","75.758","0.002","88.856","0.003","66.329","0.001","4727.7","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H47 Cl3 O2 -","- C55 H47 Cl3 O2 -","- C220 H188 Cl12 O8 -","4","2","","Song, Tingting; Han, Yanbing; Jin, Pengcheng; Li, Xiaofang; Song, Yinglin; Xiao, Jinchong","The enhanced two-photon absorption behavior of twistfuranacenes to phenylacetylene-functionalized twistacenes","Journal of Materials Chemistry C","2019","7","21","6344","","10.1039/C9TC01568J","","","0.71073","MoKα","","0.1951","0.0864","","","0.2001","0.2301","","","","","","1.076","","","","has coordinates,has disorder","238637","2020-10-21","18:00:00",""
"7237819","17.9559","0.0015","69.78","0.004","13.5926","0.0012","90","","90","","90","","17031","2","298","2","298","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C107 H89 Cl3 O4 -","- C107 H89 Cl3 O4 -","- C856 H712 Cl24 O32 -","8","0.5","","Song, Tingting; Han, Yanbing; Jin, Pengcheng; Li, Xiaofang; Song, Yinglin; Xiao, Jinchong","The enhanced two-photon absorption behavior of twistfuranacenes to phenylacetylene-functionalized twistacenes","Journal of Materials Chemistry C","2019","7","21","6344","","10.1039/C9TC01568J","","","0.71073","MoKα","","0.1088","0.0514","","","0.0893","0.0995","","","","","","1.006","","","","has coordinates,has disorder","238637","2020-10-21","18:00:00",""
"7237820","19.0001","0.0019","7.868","0.0007","27.69","0.003","90","","105.364","0.003","90","","3991.5","0.7","298","2","298","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- C52 H41 F O -","- C52 H41 F O -","- C208 H164 F4 O4 -","4","1","","Song, Tingting; Han, Yanbing; Jin, Pengcheng; Li, Xiaofang; Song, Yinglin; Xiao, Jinchong","The enhanced two-photon absorption behavior of twistfuranacenes to phenylacetylene-functionalized twistacenes","Journal of Materials Chemistry C","2019","7","21","6344","","10.1039/C9TC01568J","","","0.71073","MoKα","","0.2571","0.1393","","","0.3505","0.3836","","","","","","1.092","","","","has coordinates,has disorder","238637","2020-10-21","18:00:00",""
"7237821","10.6483","0.0005","13.2218","0.0006","22.2843","0.0009","90","","90","","90","","3137.4","0.2","297","2","297","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H32 Cl2 N6 O2 -","- C33 H32 Cl2 N6 O2 -","- C132 H128 Cl8 N24 O8 -","4","1","","Sudhakar, Pagidi; Radhakrishnan, T. P.","Stimuli responsive and reversible crystalline‒amorphous transformation in a molecular solid: fluorescence switching and enhanced phosphorescence in the amorphous state","Journal of Materials Chemistry C","2019","7","23","7083","","10.1039/C9TC01600G","","","0.71073","MoKα","","0.107","0.0708","","","0.1875","0.2068","","","","","","1.035","","","","has coordinates","238639","2020-10-21","18:00:00",""
"7237822","9.116","0.002","12.611","0.003","34.215","0.008","90","","90","","90","","3933.4","1.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3.15 H2.35 N0.24 O0.12 -","- C3.15152 H2.34424 N0.242424 O0.121212 -","- C208 H154.72 N16 O8 -","66","16.5","","Wu, Zheng-Guang; Yan, Zhi-Ping; Luo, Xu-Feng; Yuan, Li; Liang, Wei-Qiu; Wang, Yi; Zheng, You-Xuan; Zuo, Jing-Lin; Pan, Yi","Non-doped and doped circularly polarized organic light-emitting diodes with high performances based on chiral octahydro-binaphthyl delayed fluorescent luminophores","Journal of Materials Chemistry C","2019","7","23","7045","","10.1039/C9TC01632E","","","0.71073","MoKα","","0.1232","0.0716","","","0.1527","0.1813","","","","","","1.021","","","","has coordinates,has disorder","238641","2020-10-21","18:00:00",""
"7237823","9.1408","0.0007","12.6631","0.0009","34.54","0.002","90","","90","","90","","3998","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4.62 H3.41 N0.36 O0.18 -","- C4.62222 H3.41404 N0.355556 O0.177778 -","- C208 H153.632 N16 O8 -","45","11.25","","Wu, Zheng-Guang; Yan, Zhi-Ping; Luo, Xu-Feng; Yuan, Li; Liang, Wei-Qiu; Wang, Yi; Zheng, You-Xuan; Zuo, Jing-Lin; Pan, Yi","Non-doped and doped circularly polarized organic light-emitting diodes with high performances based on chiral octahydro-binaphthyl delayed fluorescent luminophores","Journal of Materials Chemistry C","2019","7","23","7045","","10.1039/C9TC01632E","","","0.71073","MoKα","","0.1405","0.0572","","","0.1216","0.164","","","","","","0.98","","","","has coordinates,has disorder","238641","2020-10-21","18:00:00",""
"7237824","8.0679","0.0002","10.5006","0.0003","14.0399","0.0004","90","","90.802","0.002","90","","1189.31","0.06","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H18 B Cl2 F4 N3 -","- C6 H18 B Cl2 F4 N3 -","- C24 H72 B4 Cl8 F16 N12 -","4","2","","Gao, Ji-Xing; Hua, Xiu-Ni; Chen, Xiao-Gang; Liao, Wei-Qiang","A high temperature optic-electric duple switching organic ionic compound: 1,4,7-triazoniacyclononane tetrafluoroborate dichloride","Journal of Materials Chemistry C","2019","7","18","5348","","10.1039/C9TC01661A","","","0.71073","MoKα","","0.0354","0.0324","","","0.08","0.0814","","","","","","1","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237825","8.1276","0.0007","8.1276","0.0007","10.5327","0.0013","90","","90","","120","","602.55","0.1","413","2","413","2","","","","","","","","6","P 63/m m c","-P 6c 2c","194","","","","- C6 H18 B Cl2 F4 N3 -","- C6 H18 B Cl2 F3.9998 N3 -","- C12 H36 B2 Cl4 F7.9996 N6 -","2","0.0833333","","Gao, Ji-Xing; Hua, Xiu-Ni; Chen, Xiao-Gang; Liao, Wei-Qiang","A high temperature optic-electric duple switching organic ionic compound: 1,4,7-triazoniacyclononane tetrafluoroborate dichloride","Journal of Materials Chemistry C","2019","7","18","5348","","10.1039/C9TC01661A","","","0.71073","MoKα","","0.1203","0.1161","","","0.3897","0.3973","","","","","","1.959","","","","has coordinates","238643","2020-10-21","18:00:00",""
"7237826","10.6101","0.0009","22.3235","0.0015","11.4058","0.0008","90","","98.578","0.002","90","","2671.3","0.3","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 N O -","- C34 H33 N O -","- C136 H132 N4 O4 -","4","1","","Feng, Xing; Zhang, Jun; Hu, Zhen; Wang, Qingsong; Islam, Md. Monarul; Ni, Jen-Shyang; Elsegood, Mark R. J.; Lam, Jacky W. Y.; Zhou, Erjun; Tang, Ben Zhong","Pyrene-based aggregation-induced emission luminogens (AIEgen): structure correlated with particle size distribution and mechanochromism","Journal of Materials Chemistry C","2019","7","23","6932","","10.1039/C9TC01665A","","","0.71073","MoKα","","0.1197","0.0532","","","0.1236","0.1555","","","","","","1.01","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237827","12.9754","0.0019","36.63","0.005","12.4364","0.0018","90","","90","","90","","5910.9","1.5","150","2","150","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C37 H43 N -","- C37 H43 N -","- C296 H344 N8 -","8","1","","Feng, Xing; Zhang, Jun; Hu, Zhen; Wang, Qingsong; Islam, Md. Monarul; Ni, Jen-Shyang; Elsegood, Mark R. J.; Lam, Jacky W. Y.; Zhou, Erjun; Tang, Ben Zhong","Pyrene-based aggregation-induced emission luminogens (AIEgen): structure correlated with particle size distribution and mechanochromism","Journal of Materials Chemistry C","2019","7","23","6932","","10.1039/C9TC01665A","","","0.71073","MoKα","","0.1058","0.0616","","","0.1576","0.1871","","","","","","1.042","","","","has coordinates,has disorder","301866","2025-08-22","21:38:33",""
"7237828","10.4273","0.001","10.629","0.001","15.8336","0.0015","90.857","0.003","94.538","0.003","100.5","0.003","1719.3","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","TPEPhIC","","- C45 H28 N2 O -","- C45 H28 N2 O -","- C90 H56 N4 O2 -","2","1","","Yu, Hai-Xia; Zhi, Junge; Shen, Tianjiao; Ding, Weilu; Zhang, Xiaoling; Wang, Jin-Liang","Donor–acceptor type aggregation-induced emission luminophores based on the 1,1-dicyanomethylene-3-indanone unit for bridge-dependent reversible mechanochromism and light-up biosensing of hypochlorites","Journal of Materials Chemistry C","2019","7","29","8888","","10.1039/C9TC01772K","","","0.71073","MoKα","","0.1084","0.0871","","","0.2624","0.2807","","","","","","1.142","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237829","5.87","0.02","10.236","0.018","25.27","0.05","84.03","0.09","89.02","0.15","73.63","0.17","1449","6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","TPEIC","","- C39 H24 N2 O -","- C39 H24 N2 O -","- C78 H48 N4 O2 -","2","1","","Yu, Hai-Xia; Zhi, Junge; Shen, Tianjiao; Ding, Weilu; Zhang, Xiaoling; Wang, Jin-Liang","Donor–acceptor type aggregation-induced emission luminophores based on the 1,1-dicyanomethylene-3-indanone unit for bridge-dependent reversible mechanochromism and light-up biosensing of hypochlorites","Journal of Materials Chemistry C","2019","7","29","8888","","10.1039/C9TC01772K","","","1.54178","CuKα","","0.3205","0.3111","","","0.6596","0.6943","","","","","","1.068","","","","has coordinates","301866","2025-08-22","21:38:33",""
"7237830","12.1544","0.0004","8.7132","0.0003","33.3446","0.0011","90","","92.61","0.002","90","","3527.7","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","TPEThIC","","- C44 H28 Cl2 N2 O S -","- C44 H28 Cl2 N2 O S -","- C176 H112 Cl8 N8 O4 S4 -","4","1","","Yu, Hai-Xia; Zhi, Junge; Shen, Tianjiao; Ding, Weilu; Zhang, Xiaoling; Wang, Jin-Liang","Donor–acceptor type aggregation-induced emission luminophores based on the 1,1-dicyanomethylene-3-indanone unit for bridge-dependent reversible mechanochromism and light-up biosensing of hypochlorites","Journal of Materials Chemistry C","2019","7","29","8888","","10.1039/C9TC01772K","","","1.54178","CuKα","","0.0645","0.0574","","","0.1564","0.163","","","","","","1.019","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237831","4.9797","0.0004","11.2729","0.0011","27.335","0.003","90","","90","","90","","1534.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H13 N3 O6 Zn -","- C16 H13 N3 O6 Zn -","- C64 H52 N12 O24 Zn4 -","4","1","","Zhang, Yu-Xiao; Li, Bing-Xuan; Lin, Hua; Ma, Zuju; Wu, Xin-Tao; Zhu, Qi-Long","Impressive second harmonic generation response in a novel phase-matchable NLO-active MOF derived from achiral precursors","Journal of Materials Chemistry C","2019","7","21","6217","","10.1039/C9TC01867K","","","0.71073","MoKα","","0.0599","0.0414","","","0.0668","0.0735","","","","","","0.88","","","","has coordinates","238649","2020-10-21","18:00:00",""
"7237832","13.9202","0.0007","8.0462","0.0004","11.373","0.0005","90","","105.687","0.005","90","","1226.38","0.11","290","0.1","290","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 O3 S -","- C13 H12 O3 S -","- C52 H48 O12 S4 -","4","1","","Chen, Junru; Rahman, Naveed Ur; Mao, Zhu; Zhao, Juan; Yang, Zhiyong; Liu, Siwei; Zhang, Yi; Chi, Zhenguo","Achievement of persistent and efficient organic room-temperature phosphorescence with temperature-response by adjusting the proportion of excited-state configurations in coupled molecules","Journal of Materials Chemistry C","2019","7","27","8250","","10.1039/C9TC01870K","","x-ray","1.54184","CuKα","","0.0585","0.0478","","","0.1526","0.1597","","","","","","1.156","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237833","7.156","0.0018","7.9129","0.0018","35.708","0.01","90","","91.7","0.02","90","","2021.1","0.9","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 O3 S2 -","- C25 H18 O3 S2 -","- C100 H72 O12 S8 -","4","1","","Chen, Junru; Rahman, Naveed Ur; Mao, Zhu; Zhao, Juan; Yang, Zhiyong; Liu, Siwei; Zhang, Yi; Chi, Zhenguo","Achievement of persistent and efficient organic room-temperature phosphorescence with temperature-response by adjusting the proportion of excited-state configurations in coupled molecules","Journal of Materials Chemistry C","2019","7","27","8250","","10.1039/C9TC01870K","","","1.54184","CuKα","","0.0362","0.0336","","","0.0882","0.0903","","","","","","1.0544","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237834","12.0982","0.0002","7.6681","0.0001","11.2418","0.0001","90","","96.734","0.001","90","","1035.71","0.02","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O2 S -","- C12 H10 O2 S -","- C48 H40 O8 S4 -","4","1","","Chen, Junru; Rahman, Naveed Ur; Mao, Zhu; Zhao, Juan; Yang, Zhiyong; Liu, Siwei; Zhang, Yi; Chi, Zhenguo","Achievement of persistent and efficient organic room-temperature phosphorescence with temperature-response by adjusting the proportion of excited-state configurations in coupled molecules","Journal of Materials Chemistry C","2019","7","27","8250","","10.1039/C9TC01870K","","x-ray","1.54184","CuKα","","0.0327","0.0309","","","0.0819","0.0833","","","","","","1.083","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237835","10.7447","0.0004","7.8796","0.0003","17.5823","0.0008","90","","111.126","0.005","90","","1388.54","0.11","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","piperazinium tetrabromocuprate","","- C4 H12 Br4 Cu N2 -","- C4 H12 Br4 Cu N2 -","- C16 H48 Br16 Cu4 N8 -","4","0.5","","Pan, Bingying; Qiu, Jiaxi; Pan, Binglin; Gong, Xiangnan; Li, Shiyan; Xu, Yuliang; Kong, Xiangmu; Ding, Mingcui; Zhang, Lichun; Feng, Hu","Realization of an excellent two-dimensional Heisenberg ferromagnetic system: the synthesis, structure, and thermodynamic properties of piperazinediium tetrabromocuprate","Journal of Materials Chemistry C","2019","7","29","8813","","10.1039/C9TC01878F","","","0.71073","MoKα","","0.0373","0.0271","","","0.06","0.0641","","","","","","1.076","","","","has coordinates","238657","2020-10-21","18:00:00",""
"7237836","15.764","0.003","11.846","0.002","22.623","0.004","90","","90","","90","","4224.6","1.3","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H13 F5 N2 O Pt -","- C24 H13 F5 N2 O Pt -","- C192 H104 F40 N16 O8 Pt8 -","8","1","","Lin, Shengheng; Pan, Honghao; Li, Lin; Liao, Rui; Yu, Shengzhen; Zhao, Qiang; Sun, Huibin; Huang, Wei","AIPE-active platinum(ii) complexes with tunable photophysical properties and their application in constructing thermosensitive probes used for intracellular temperature imaging","Journal of Materials Chemistry C","2019","7","26","7893","","10.1039/C9TC01905G","","","0.71073","MoKα","","0.0519","0.0282","","","0.0649","0.076","","","","","","0.975","","","","has coordinates","238659","2020-10-21","18:00:00",""
"7237837","8.1137","0.0003","9.2703","0.0004","12.045","0.005","90","","91.173","0.009","90","","905.8","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41122","synchrotron","","0.0651","0.0472","","","0.1101","0.1365","","","","","","1.097","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237838","8.0675","0.0004","9.0842","0.0006","11.893","0.006","90","","91.055","0.013","90","","871.5","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.0632","0.045","","","0.0994","0.1226","","","","","","1.122","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237839","8.0271","0.0004","8.8885","0.0005","11.722","0.006","90","","90.906","0.012","90","","836.2","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.0606","0.043","","","0.0888","0.1113","","","","","","1.128","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237840","8.1133","0.0007","7.9779","0.0006","11.891","0.005","90","","86.024","0.018","90","","767.8","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","0.5","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.099","0.0399","","","0.0877","0.093","","","","","","0.641","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237841","8.06","0.0006","9.0392","0.0007","11.852","0.009","90","","91.018","0.017","90","","863.4","0.7","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.0631","0.0454","","","0.0915","0.1153","","","","","","1.136","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237842","8.01346","0.00013","8.80029","0.00017","11.657","0.002","90","","90.821","0.004","90","","821.98","0.14","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.0616","0.0428","","","0.0883","0.1113","","","","","","1.125","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237843","8.00341","0.00015","8.7348","0.00018","11.602","0.002","90","","90.718","0.004","90","","811.01","0.14","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.0665","0.0463","","","0.0969","0.1231","","","","","","1.097","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237844","8.0837","0.0005","7.9331","0.0004","11.867","0.003","90","","86.154","0.012","90","","759.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","0.5","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.1348","0.0393","","","0.0711","0.0759","","","","","","0.515","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237845","8.082","0.0004","9.1463","0.0005","11.948","0.006","90","","91.101","0.011","90","","883","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.0611","0.0439","","","0.0885","0.1118","","","","","","1.099","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237846","7.9904","0.0002","8.6379","0.0002","11.532","0.003","90","","90.525","0.006","90","","795.9","0.2","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.0842","0.0573","","","0.1368","0.1693","","","","","","1.081","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237847","8.0417","0.0003","8.9635","0.0004","11.792","0.005","90","","90.974","0.009","90","","849.9","0.4","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","1","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.0591","0.0411","","","0.079","0.1011","","","","","","1.114","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237848","8.0529","0.001","7.885","0.001","11.838","0.005","90","","86.22","0.02","90","","750","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","0.5","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.1581","0.043","","","0.0713","0.0794","","","","","","0.588","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237849","8.0012","0.0009","7.8208","0.0008","11.817","0.005","90","","86.37","0.02","90","","738","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 Cr N2 Na O12 -","- C10 H22 Cr N2 Na O12 -","- C20 H44 Cr2 N4 Na2 O24 -","2","0.5","","Ptak, Maciej; Collings, Ines E.; Svane, Katrine L.; Sieradzki, Adam; Paraguassu, Waldeci; Mączka, Mirosław","Pressure-enhanced ferroelectric polarisation in a polar perovskite-like [C2H5NH3]Na0.5Cr0.5(HCOO)3 metal‒organic framework","Journal of Materials Chemistry C","2019","7","28","8660","","10.1039/C9TC01924C","","","0.41134","synchrotron","","0.1568","0.0457","","","0.0812","0.0905","","","","","","0.585","","","","has coordinates","238661","2020-10-21","18:00:00",""
"7237850","7.8325","0.0003","22.8994","0.0006","18.3031","0.0008","90","","94.994","0.004","90","","3270.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1,1'-diethyl-[2,2'-bipyridine]-1,1'-diium)Pb3I8","","- C14 H19 I8 N2 Pb3 -","- C14 H19 I8 N2 Pb3 -","- C56 H76 I32 N8 Pb12 -","4","1","","Liu, Guang-Ning; Zhao, Ruo-Yu; Xu, Rang-Dong; Liu, Qisheng; Xu, Bo; Wang, Yang-Yang; Wu, Qian; Wang, Jun-Nuan; Nie, Yong; Li, Cuncheng","Constructing moisture-stable hybrid lead iodine semiconductors based on hydrogen-bond-free and dual-iodine strategies","Journal of Materials Chemistry C","2019","7","25","7700","","10.1039/C9TC01967G","","","0.71073","MoKα","","0.0597","0.0407","","","0.0817","0.0922","","","","","","1.034","","","","has coordinates","238663","2020-10-21","18:00:00",""
"7237851","17.9449","0.001","19.4236","0.0011","7.8786","0.0003","90","","94.945","0.004","90","","2735.9","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[CuII(2,2'-bipyridine)2I]2Pb2I6","","- C40 H32 Cu2 I8 N8 Pb2 -","- C40 H32 Cu2 I8 N8 Pb2 -","- C80 H64 Cu4 I16 N16 Pb4 -","2","0.5","","Liu, Guang-Ning; Zhao, Ruo-Yu; Xu, Rang-Dong; Liu, Qisheng; Xu, Bo; Wang, Yang-Yang; Wu, Qian; Wang, Jun-Nuan; Nie, Yong; Li, Cuncheng","Constructing moisture-stable hybrid lead iodine semiconductors based on hydrogen-bond-free and dual-iodine strategies","Journal of Materials Chemistry C","2019","7","25","7700","","10.1039/C9TC01967G","","","0.71073","MoKα","","0.072","0.0434","","","0.0828","0.0967","","","","","","1.056","","","","has coordinates","238663","2020-10-21","18:00:00",""
"7237852","12.0083","0.0006","15.9672","0.0008","16.85","0.0009","71.256","0.005","77.764","0.004","68.46","0.005","2829.5","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","[Mn(1,10-Phenanthroline)2Cl0.65I0.35]2Pb2I6","","- C48 H32 Cl1.29 I6.71 Mn2 N8 Pb2 -","- C48 H32 Cl1.291 I6.709 Mn2 N8 Pb2 -","- C96 H64 Cl2.582 I13.418 Mn4 N16 Pb4 -","2","1","","Liu, Guang-Ning; Zhao, Ruo-Yu; Xu, Rang-Dong; Liu, Qisheng; Xu, Bo; Wang, Yang-Yang; Wu, Qian; Wang, Jun-Nuan; Nie, Yong; Li, Cuncheng","Constructing moisture-stable hybrid lead iodine semiconductors based on hydrogen-bond-free and dual-iodine strategies","Journal of Materials Chemistry C","2019","7","25","7700","","10.1039/C9TC01967G","","x-ray","0.71073","MoKα","","0.0484","0.0371","","","0.0859","0.0915","","","","","","1.075","","","","has coordinates,has disorder","238663","2020-10-21","18:00:00",""
"7237853","10.2585","0.0006","23.583","0.0016","24.708","0.0016","90","","95.358","0.002","90","","5951.4","0.7","260","2","260","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C68 H58 Au Cl P4 Pt S2 -","- C68 H58 Au Cl P4 Pt S2 -","- C272 H232 Au4 Cl4 P16 Pt4 S8 -","4","1","","Duan, Ping; Liu, Junyang; Wang, Jin-Yun; Chen, Lichuan; Wang, Fei; Zhang, Qian-Chong; Hong, Wenjing; Chen, Zhong-Ning","Modulation of the conductance in platinum(ii) bis(acetylide) molecules through “gating” metal ions","Journal of Materials Chemistry C","2019","7","24","7259","","10.1039/C9TC02100K","","","0.71073","MoKα","","0.051","0.0463","","","0.1256","0.1289","","","","","","1.081","","","","has coordinates","238666","2020-10-21","18:00:00",""
"7237854","20.2336","0.0005","19.6969","0.0005","22.1531","0.0005","90","","95.746","0.001","90","","8784.5","0.4","121","2","121","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C85 H78 Au2 Cl8 O8 P6 Pt S2 -","- C85 H78 Au2 Cl8 O8 P6 Pt S2 -","- C340 H312 Au8 Cl32 O32 P24 Pt4 S8 -","4","0.5","","Duan, Ping; Liu, Junyang; Wang, Jin-Yun; Chen, Lichuan; Wang, Fei; Zhang, Qian-Chong; Hong, Wenjing; Chen, Zhong-Ning","Modulation of the conductance in platinum(ii) bis(acetylide) molecules through “gating” metal ions","Journal of Materials Chemistry C","2019","7","24","7259","","10.1039/C9TC02100K","","","0.71073","MoKα","","0.0585","0.0515","","","0.1304","0.1353","","","","","","1.039","","","","has coordinates","238666","2020-10-21","18:00:00",""
"7237855","12.0334","0.0004","13.8958","0.0005","14.5253","0.0005","65.379","0.001","85.407","0.001","73.499","0.001","2115.03","0.13","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C84 H76 Ag2 Cl6 N0 O8 P6 Pt S2 -","- C84 H76 Ag2 Cl6 O8 P6 Pt S2 -","- C84 H76 Ag2 Cl6 O8 P6 Pt S2 -","1","0.5","","Duan, Ping; Liu, Junyang; Wang, Jin-Yun; Chen, Lichuan; Wang, Fei; Zhang, Qian-Chong; Hong, Wenjing; Chen, Zhong-Ning","Modulation of the conductance in platinum(ii) bis(acetylide) molecules through “gating” metal ions","Journal of Materials Chemistry C","2019","7","24","7259","","10.1039/C9TC02100K","","","0.71073","MoKα","","0.0389","0.0345","","","0.0961","0.1044","","","","","","1.173","","","","has coordinates","238666","2020-10-21","18:00:00",""
"7237856","11.6173","0.0008","11.6518","0.0008","24.0238","0.0017","76.323","0.002","87.623","0.003","83.63","0.003","3139.8","0.4","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C69 H60 Cl3 Cu O4 P4 Pt S2 -","- C69 H60 Cl2.98 Cu O4 P4 Pt S2 -","- C138 H120 Cl5.96 Cu2 O8 P8 Pt2 S4 -","2","1","","Duan, Ping; Liu, Junyang; Wang, Jin-Yun; Chen, Lichuan; Wang, Fei; Zhang, Qian-Chong; Hong, Wenjing; Chen, Zhong-Ning","Modulation of the conductance in platinum(ii) bis(acetylide) molecules through “gating” metal ions","Journal of Materials Chemistry C","2019","7","24","7259","","10.1039/C9TC02100K","","","0.71073","MoKα","","0.0429","0.0383","","","0.0957","0.1017","","","","","","1.084","","","","has coordinates","238666","2020-10-21","18:00:00",""
"7237857","11.693","0.003","14.44","0.004","42.027","0.011","92.972","0.008","90.273","0.008","90.059","0.008","7086","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C145 H138 Ag2 Cl4 O10 P8 Pt2 S4 -","- C145 H138 Ag2 Cl4 O10 P8 Pt2 S4 -","- C290 H276 Ag4 Cl8 O20 P16 Pt4 S8 -","2","1","","Duan, Ping; Liu, Junyang; Wang, Jin-Yun; Chen, Lichuan; Wang, Fei; Zhang, Qian-Chong; Hong, Wenjing; Chen, Zhong-Ning","Modulation of the conductance in platinum(ii) bis(acetylide) molecules through “gating” metal ions","Journal of Materials Chemistry C","2019","7","24","7259","","10.1039/C9TC02100K","","","0.71073","MoKα","","0.1652","0.0885","","","0.1966","0.2392","","","","","","1.028","","","","has coordinates","238666","2020-10-21","18:00:00",""
"7237858","16.0797","0.0012","13.1053","0.0011","22.9527","0.0019","90","","91.561","0.003","90","","4835","0.7","285","2","285","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C57 H54 N4 O2 -","- C57 H54 N4 O2 -","- C228 H216 N16 O8 -","4","1","","Liu, Xuedan; Ma, Chunran; Li, Aisen; Xu, Weiqing; Ma, Zhiyong; Jia, Xinru","Schiff base-bridged TPE-rhodamine dyad: facile synthesis, distinct response to shearing and hydrostatic pressure, and sequential multicolored acidichromism","Journal of Materials Chemistry C","2019","7","27","8398","","10.1039/C9TC02113B","","","0.71073","MoKα","","0.1916","0.075","","","0.1705","0.2298","","","","","","0.997","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237859","24.0937","0.0012","7.9916","0.0004","36.7515","0.0018","90","","99.3094","0.0016","90","","6983.2","0.6","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H34 Cl2 D2 N2 S -","- C43 H34 Cl2 D2 N2 S -","- C344 H272 Cl16 D16 N16 S8 -","8","2","","Huang, Rongjuan; Kukhta, Nadzeya A.; Ward, Jonathan S.; Danos, Andrew; Batsanov, Andrei S.; Bryce, Martin R.; Dias, Fernando B.","Balancing charge-transfer strength and triplet states for deep-blue thermally activated delayed fluorescence with an unconventional electron rich dibenzothiophene acceptor","Journal of Materials Chemistry C","2019","7","42","13224","","10.1039/C9TC02175B","","x-ray","0.71073","MoKα","","0.0769","0.0467","","","0.1024","0.114","","","","","","1.013","","","","has coordinates,has disorder","238671","2020-10-21","18:00:00",""
"7237860","9.8347","0.0004","12.107","0.0005","21.2839","0.0009","83.6588","0.0019","88.476","0.002","74.8909","0.0019","2431.67","0.18","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C58 H66 N2 S -","- C58 H66 N2 S -","- C116 H132 N4 S2 -","2","1","","Huang, Rongjuan; Kukhta, Nadzeya A.; Ward, Jonathan S.; Danos, Andrew; Batsanov, Andrei S.; Bryce, Martin R.; Dias, Fernando B.","Balancing charge-transfer strength and triplet states for deep-blue thermally activated delayed fluorescence with an unconventional electron rich dibenzothiophene acceptor","Journal of Materials Chemistry C","2019","7","42","13224","","10.1039/C9TC02175B","","x-ray","0.71073","MoKα","","0.0842","0.0513","","","0.1233","0.1372","","","","","","1.03","","","","has coordinates,has disorder","301866","2025-08-22","21:38:34",""
"7237861","9.7054","0.0005","12.0521","0.0006","21.3945","0.001","83.6147","0.0019","88.817","0.002","74.1306","0.0018","2392.1","0.2","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C58 H66 N2 S -","- C58 H66 N2 S -","- C116 H132 N4 S2 -","2","1","","Huang, Rongjuan; Kukhta, Nadzeya A.; Ward, Jonathan S.; Danos, Andrew; Batsanov, Andrei S.; Bryce, Martin R.; Dias, Fernando B.","Balancing charge-transfer strength and triplet states for deep-blue thermally activated delayed fluorescence with an unconventional electron rich dibenzothiophene acceptor","Journal of Materials Chemistry C","2019","7","42","13224","","10.1039/C9TC02175B","","x-ray","0.71073","MoKα","","0.0652","0.0444","","","0.1053","0.1145","","","","","","1.027","","","","has coordinates,has disorder","301866","2025-08-22","21:38:34",""
"7237862","12.1029","0.0006","8.02","0.0004","36.8781","0.0019","90","","99.1232","0.0015","90","","3534.3","0.3","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H34 Cl2 D2 N2 S -","- C43 H34 Cl2 D2 N2 S -","- C172 H136 Cl8 D8 N8 S4 -","4","1","","Huang, Rongjuan; Kukhta, Nadzeya A.; Ward, Jonathan S.; Danos, Andrew; Batsanov, Andrei S.; Bryce, Martin R.; Dias, Fernando B.","Balancing charge-transfer strength and triplet states for deep-blue thermally activated delayed fluorescence with an unconventional electron rich dibenzothiophene acceptor","Journal of Materials Chemistry C","2019","7","42","13224","","10.1039/C9TC02175B","","x-ray","0.71073","MoKα","","0.0832","0.0495","","","0.1025","0.1158","","","","","","1.042","","","","has coordinates,has disorder","301866","2025-08-22","21:38:34",""
"7237863","13.614","0.004","14.015","0.004","15.677","0.004","81.078","0.012","79.523","0.012","67.633","0.01","2707.9","1.3","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C53 H48 B Cl6 Ir N2 O6 S2 -","- C53 H48 B Cl6 Ir N2 O6 S2 -","- C106 H96 B2 Cl12 Ir2 N4 O12 S4 -","2","1","","Sun, Yuanhui; Yang, Xiaolong; Liu, Boao; Dang, Jingshuang; Li, Yan; Zhou, Guijiang; Wu, Zhaoxin; Wong, Wai-Yeung","Towards high performance solution-processed orange organic light-emitting devices: precisely-adjusting properties of Ir(iii) complexes by reasonably engineering the asymmetric configuration with second functionalized cyclometalating ligands","Journal of Materials Chemistry C","2019","7","29","8836","","10.1039/C9TC02406A","","","0.71073","MoKα","","0.0491","0.0456","","","0.0928","0.0949","","","","","","1.082","","","","has coordinates,has disorder","238673","2020-10-21","18:00:00",""
"7237864","14.218","0.005","21.349","0.007","15.308","0.005","90","","96.21","0.007","90","","4619","3","173","2","173.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H29 Cl6 Ir N2 O10 S4 -","- C41 H29 Cl6 Ir N2 O10 S4 -","- C164 H116 Cl24 Ir4 N8 O40 S16 -","4","1","","Sun, Yuanhui; Yang, Xiaolong; Liu, Boao; Dang, Jingshuang; Li, Yan; Zhou, Guijiang; Wu, Zhaoxin; Wong, Wai-Yeung","Towards high performance solution-processed orange organic light-emitting devices: precisely-adjusting properties of Ir(iii) complexes by reasonably engineering the asymmetric configuration with second functionalized cyclometalating ligands","Journal of Materials Chemistry C","2019","7","29","8836","","10.1039/C9TC02406A","","","0.71073","MoKα","","0.1018","0.0868","","","0.1341","0.1398","","","","","","1.269","","","","has coordinates,has disorder","238675","2020-10-21","18:00:00",""
"7237865","12.208","0.002","16.603","0.003","20.871","0.004","74.45","0.03","85.57","0.03","87.15","0.03","4061.5","1.4","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H32 Cu2 F42 Gd N4 O17 -","- C58 H32 Cu2 F42 Gd N4 O17 -","- C116 H64 Cu4 F84 Gd2 N8 O34 -","2","1","","Sun, Juan; Sun, Zan; Wang, Kang; Xi, Lu; Ma, Yue; Li, Licun","Slow relaxation of magnetization in unprecedented Cu‒Ln-Rad hetero-tri-spin chains constructed from multidentate nitronyl nitroxide","Journal of Materials Chemistry C","2019","7","29","9057","","10.1039/C9TC02410G","","","0.71073","MoKα","","0.1731","0.0982","","","0.2292","0.2857","","","","","","1.056","","","","has coordinates,has disorder","238677","2020-10-21","18:00:00",""
"7237866","12.206","0.002","16.503","0.003","20.893","0.004","74.64","0.03","85.46","0.03","87.11","0.03","4043.6","1.4","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H32 Cu2 F42 Ho N4 O17 -","- C58 H32 Cu2 F42 Ho N4 O17 -","- C116 H64 Cu4 F84 Ho2 N8 O34 -","2","1","","Sun, Juan; Sun, Zan; Wang, Kang; Xi, Lu; Ma, Yue; Li, Licun","Slow relaxation of magnetization in unprecedented Cu‒Ln-Rad hetero-tri-spin chains constructed from multidentate nitronyl nitroxide","Journal of Materials Chemistry C","2019","7","29","9057","","10.1039/C9TC02410G","","","0.71073","MoKα","","0.106","0.0867","","","0.2359","0.2569","","","","","","1.003","","","","has coordinates,has disorder","238677","2020-10-21","18:00:00",""
"7237867","12.1727","0.0002","16.4693","0.0003","20.6836","0.0003","75.1108","0.0014","85.3367","0.0013","86.9439","0.0014","3991.81","0.12","120","","120","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H32 Cu2 F42 N4 O17 Tb -","- C58 H32 Cu2 F42 N4 O17 Tb -","- C116 H64 Cu4 F84 N8 O34 Tb2 -","2","1","","Sun, Juan; Sun, Zan; Wang, Kang; Xi, Lu; Ma, Yue; Li, Licun","Slow relaxation of magnetization in unprecedented Cu‒Ln-Rad hetero-tri-spin chains constructed from multidentate nitronyl nitroxide","Journal of Materials Chemistry C","2019","7","29","9057","","10.1039/C9TC02410G","","","0.71073","MoKα","","0.0857","0.0838","","","0.2251","0.2265","","","","","","1.1","","","","has coordinates,has disorder","238677","2020-10-21","18:00:00",""
"7237868","12.222","0.002","16.58","0.003","20.905","0.004","74.6","0.03","85.46","0.03","87.18","0.03","4069.5","1.4","113.15","","113.15","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H32 Cu2 Dy F42 N4 O17 -","- C58 H32 Cu2 Dy F42 N4 O17 -","- C116 H64 Cu4 Dy2 F84 N8 O34 -","2","1","","Sun, Juan; Sun, Zan; Wang, Kang; Xi, Lu; Ma, Yue; Li, Licun","Slow relaxation of magnetization in unprecedented Cu‒Ln-Rad hetero-tri-spin chains constructed from multidentate nitronyl nitroxide","Journal of Materials Chemistry C","2019","7","29","9057","","10.1039/C9TC02410G","","","0.71073","MoKα","","0.0934","0.0762","","","0.2013","0.2175","","","","","","1","","","","has coordinates,has disorder","238677","2020-10-21","18:00:00",""
"7237869","24.5727","0.0013","11.4734","0.0005","23.3323","0.0011","90","","98.189","0.002","90","","6511.1","0.5","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H44 N2 O2 S2 -","- C68 H44 N2 O2 S2 -","- C272 H176 N8 O8 S8 -","4","0.5","","Ma, Fulong; Cheng, Yu; Zheng, Yu; Ji, Hefang; Hasrat, Kamran; Qi, Zhengjian","Rational design of thermally activated delayed fluorescence emitters with aggregation-induced emission employing combined charge transfer pathways for fabricating efficient non-doped OLEDs","Journal of Materials Chemistry C","2019","7","30","9413","","10.1039/C9TC02467K","","","1.34139","GaKα","","0.0778","0.0493","","","0.1309","0.1463","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237870","5.9066","0.0004","7.9984","0.0005","20.6824","0.0012","90","","93.912","0.002","90","","974.83","0.11","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N Se -","- C12 H9 N Se -","- C48 H36 N4 Se4 -","4","1","","de Sa Pereira, Daniel; Lee, Dong Ryun; Kukhta, Nadzeya A.; Lee, Kyung Hyung; Kim, Cho Long; Batsanov, Andrei S.; Lee, Jun Yeob; Monkman, Andrew P.","The effect of a heavy atom on the radiative pathways of an emitter with dual conformation, thermally-activated delayed fluorescence and room temperature phosphorescence","Journal of Materials Chemistry C","2019","7","34","10481","","10.1039/C9TC02477H","","x-ray","0.71073","MoKα","","0.0571","0.0333","","","0.0647","0.0696","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237871","7.9","0.0008","20.937","0.002","5.8824","0.0006","90","","90","","90","","972.96","0.17","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","phenothiazine","","","- C12 H9 N S -","- C12 H9 N S -","- C48 H36 N4 S4 -","4","0.5","","de Sa Pereira, Daniel; Lee, Dong Ryun; Kukhta, Nadzeya A.; Lee, Kyung Hyung; Kim, Cho Long; Batsanov, Andrei S.; Lee, Jun Yeob; Monkman, Andrew P.","The effect of a heavy atom on the radiative pathways of an emitter with dual conformation, thermally-activated delayed fluorescence and room temperature phosphorescence","Journal of Materials Chemistry C","2019","7","34","10481","","10.1039/C9TC02477H","","x-ray","0.71073","MoKα","","0.0692","0.0442","","","0.1117","0.1258","","","","","","1.066","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237872","5.8254","0.0011","7.7897","0.0014","20.803","0.004","90","","94.929","0.005","90","","940.5","0.3","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","phenothiazine","","","- C12 H9 N S -","- C12 H9 N S -","- C48 H36 N4 S4 -","4","1","","de Sa Pereira, Daniel; Lee, Dong Ryun; Kukhta, Nadzeya A.; Lee, Kyung Hyung; Kim, Cho Long; Batsanov, Andrei S.; Lee, Jun Yeob; Monkman, Andrew P.","The effect of a heavy atom on the radiative pathways of an emitter with dual conformation, thermally-activated delayed fluorescence and room temperature phosphorescence","Journal of Materials Chemistry C","2019","7","34","10481","","10.1039/C9TC02477H","","x-ray","0.71073","MoKα","","0.0735","0.0581","","","0.1322","0.138","","","","","","1.096","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237873","13.4469","0.0009","19.0511","0.0011","9.613","0.0006","90","","96.035","0.002","90","","2449","0.3","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H22 N4 Se -","- C33 H22 N4 Se -","- C132 H88 N16 Se4 -","4","1","","de Sa Pereira, Daniel; Lee, Dong Ryun; Kukhta, Nadzeya A.; Lee, Kyung Hyung; Kim, Cho Long; Batsanov, Andrei S.; Lee, Jun Yeob; Monkman, Andrew P.","The effect of a heavy atom on the radiative pathways of an emitter with dual conformation, thermally-activated delayed fluorescence and room temperature phosphorescence","Journal of Materials Chemistry C","2019","7","34","10481","","10.1039/C9TC02477H","","x-ray","0.71073","MoKα","","0.0606","0.0372","","","0.0741","0.0811","","","","","","1.026","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237874","7.8739","0.0008","20.921","0.002","5.8718","0.0006","90","","90","","90","","967.26","0.17","250","2","250","","","","","","","","","4","P n m a","-P 2ac 2n","62","phenothiazine","","","- C12 H9 N S -","- C12 H9 N S -","- C48 H36 N4 S4 -","4","0.5","","de Sa Pereira, Daniel; Lee, Dong Ryun; Kukhta, Nadzeya A.; Lee, Kyung Hyung; Kim, Cho Long; Batsanov, Andrei S.; Lee, Jun Yeob; Monkman, Andrew P.","The effect of a heavy atom on the radiative pathways of an emitter with dual conformation, thermally-activated delayed fluorescence and room temperature phosphorescence","Journal of Materials Chemistry C","2019","7","34","10481","","10.1039/C9TC02477H","","x-ray","0.71073","MoKα","","0.0628","0.0442","","","0.1054","0.1146","","","","","","1.076","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237875","7.3705","0.0006","11.0005","0.0012","12.0029","0.0013","109.13","0.01","106.773","0.008","90.454","0.008","874.66","0.17","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 F6 N4 O2 -","- C42 H30 F6 N4 O2 -","- C42 H30 F6 N4 O2 -","1","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt–cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.0733","0.0578","","","0.1525","0.1729","","","","","","1.067","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237876","7.3417","0.0004","11.3589","0.0007","12.1244","0.0007","109.165","0.005","106.484","0.005","91.817","0.005","907.06","0.1","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 F10 N4 O2 -","- C42 H26 F10 N4 O2 -","- C42 H26 F10 N4 O2 -","1","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt–cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.0537","0.0387","","","0.0988","0.1115","","","","","","1.019","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237877","7.2393","0.0005","10.9716","0.0009","11.9913","0.0011","70.492","0.008","72.988","0.007","88.835","0.006","855.3","0.13","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H30 F6 N4 O2 -","- C42 H30 F6 N4 O2 -","- C42 H30 F6 N4 O2 -","1","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt–cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.0626","0.0546","","","0.147","0.1603","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237878","16.436","0.0004","7.7419","0.0001","16.8951","0.0004","90","","98.106","0.002","90","","2128.35","0.08","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H48 N4 O8 S2 -","- C46 H48 N4 O8 S2 -","- C92 H96 N8 O16 S4 -","2","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt–cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.0441","0.0381","","","0.1092","0.1184","","","","","","0.913","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237879","6.5951","0.0007","12.5932","0.0013","13.1549","0.0016","116.795","0.011","95.657","0.009","102.311","0.009","928.8","0.2","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H36 N4 O6 -","- C44 H36 N4 O6 -","- C44 H36 N4 O6 -","1","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt–cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.0604","0.0424","","","0.1187","0.1346","","","","","","1.01","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237880","9.5614","0.0007","10.9763","0.0009","11.7461","0.0007","75.295","0.006","67.456","0.006","84.613","0.007","1101.24","0.15","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H40 Cl4 N4 O6 -","- C46 H40 Cl4 N4 O6 -","- C46 H40 Cl4 N4 O6 -","1","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt–cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.0774","0.0588","","","0.1687","0.1881","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237881","6.0824","0.0004","7.139","0.0007","13.6977","0.0015","89.603","0.008","77.345","0.008","82.266","0.007","574.9","0.09","123","","123","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H24 N4 -","- C30 H24 N4 -","- C30 H24 N4 -","1","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt–cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.053","0.0453","","","0.1272","0.1377","","","","","","0.989","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237882","6.1699","0.0004","7.2595","0.0005","13.6139","0.0008","89.162","0.005","79.508","0.005","80.71","0.005","591.64","0.07","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H24 N4 -","- C30 H24 N4 -","- C30 H24 N4 -","1","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt–cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.0492","0.0381","","","0.1","0.1098","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237883","9.5466","0.0005","10.9106","0.0005","11.4827","0.0005","75.419","0.004","67.639","0.005","84.29","0.004","1070.46","0.1","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H40 Cl4 N4 O6 -","- C46 H40 Cl4 N4 O6 -","- C46 H40 Cl4 N4 O6 -","1","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt–cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.0463","0.0406","","","0.104","0.1088","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237884","16.5791","0.0007","7.7313","0.0003","17.2465","0.0008","90","","99.073","0.004","90","","2182.96","0.16","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H48 N4 O8 S2 -","- C46 H48 N4 O8 S2 -","- C92 H96 N8 O16 S4 -","2","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt–cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.0588","0.0434","","","0.1153","0.1314","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237885","5.9103","0.0005","18.358","0.002","17.0558","0.0019","90","","92.591","0.009","90","","1848.7","0.3","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H30 F6 N4 O4 -","- C44 H30 F6 N4 O4 -","- C88 H60 F12 N8 O8 -","2","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt–cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.1866","0.0732","","","0.1495","0.2228","","","","","","1.007","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237886","5.8781","0.0005","18.3134","0.0019","17.3997","0.0018","90","","93.672","0.009","90","","1869.2","0.3","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H30 F6 N4 O4 -","- C44 H30 F6 N4 O4 -","- C88 H60 F12 N8 O8 -","2","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt–cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.1791","0.0619","","","0.1164","0.1645","","","","","","0.992","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237887","7.6993","0.0004","11.1583","0.0009","11.539","0.001","89.783","0.007","85.718","0.006","84.804","0.005","984.49","0.13","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H44 N4 O8 S2 -","- C44 H44 N4 O8 S2 -","- C44 H44 N4 O8 S2 -","1","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt–cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.0832","0.0543","","","0.1305","0.1547","","","","","","1.085","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237888","13.6508","0.0015","13.678","0.001","13.714","0.0013","80.163","0.007","74.923","0.009","71.683","0.008","2336.1","0.4","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C103 H56 Cl2 F30 N8 O12 -","- C103 H56 Cl2 F30 N8 O12 -","- C103 H56 Cl2 F30 N8 O12 -","1","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt‒cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.1199","0.063","","","0.1809","0.2146","","","","","","1.062","","","","has coordinates,has disorder","238707","2020-10-21","18:00:00",""
"7237889","6.5494","0.0003","12.4521","0.0007","12.9443","0.0008","112.739","0.006","101.751","0.005","102.668","0.004","899.79","0.11","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H36 N4 O6 -","- C44 H36 N4 O6 -","- C44 H36 N4 O6 -","1","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt–cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.0539","0.0404","","","0.1071","0.1186","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237890","8.8912","0.0005","9.5438","0.0006","10.6502","0.0007","93.787","0.005","91.373","0.005","112.63","0.006","831.13","0.1","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H36 N4 O2 -","- C42 H36 N4 O2 -","- C42 H36 N4 O2 -","1","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt–cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.0694","0.0414","","","0.0898","0.103","","","","","","0.999","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237891","8.9338","0.0007","9.693","0.0008","10.7136","0.0008","93.146","0.006","90.933","0.006","112.034","0.007","858.01","0.12","298","","298","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H36 N4 O2 -","- C42 H36 N4 O2 -","- C42 H36 N4 O2 -","1","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt–cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.1062","0.051","","","0.1114","0.142","","","","","","1.006","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237892","7.1878","0.0005","11.3276","0.0009","12.0753","0.0008","109.633","0.007","106.637","0.006","90.162","0.006","881.9","0.12","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 F10 N4 O2 -","- C42 H26 F10 N4 O2 -","- C42 H26 F10 N4 O2 -","1","0.5","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt–cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.0416","0.0346","","","0.0935","0.1006","","","","","","0.987","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237893","24.062","0.002","6.2048","0.0007","27.631","0.003","90","","90","","90","","4125.3","0.7","123","","123","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C46 H40 Cl4 N4 O4 -","- C46 H40 Cl4 N4 O4 -","- C184 H160 Cl16 N16 O16 -","4","1","","Yano, Yoshio; Ono, Toshikazu; Hatanaka, Sou; Gryko, Daniel T.; Hisaeda, Yoshio","Salt–cocrystal continuum for photofunction modulation: stimuli-responsive fluorescence color-tuning of pyridine-modified intramolecular charge-transfer dyes and acid complexes","Journal of Materials Chemistry C","2019","7","29","8847","","10.1039/C9TC02524C","","x-ray","0.71073","MoKα","","0.0825","0.0732","","","0.1982","0.2046","","","","","","1.139","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237894","11.5479","0.0006","12.0028","0.0007","19.1221","0.0009","97.337","0.004","101.2","0.004","107.491","0.005","2430.2","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","oTPA-DPPZ","4,4'-(dipyrido[3,2-a:2',3'-c]phenazine-11,12-diyl)bis(N,N-diphenylaniline)","","- C54 H36 N6 -","- C54 H36 N6 -","- C108 H72 N12 -","2","1","","Wang, Huiqin; Zhao, Bingjie; Ma, Peng; Li, Zhe; Wang, Xinyu; Zhao, Chenxi; Fan, Xiatao; Tao, Lilin; Duan, Chunbo; Zhang, Jing; Han, Chunmiao; Chen, Guanying; Xu, Hui","A red thermally activated delayed fluorescence emitter employing dipyridophenazine with a gradient multi-inductive effect to improve radiation efficiency","Journal of Materials Chemistry C","2019","7","25","7525","","10.1039/C9TC02557J","","","0.71073","MoKα","","0.3489","0.2625","","","0.6066","0.6488","","","","","","2.017","","","","has coordinates","238718","2020-10-21","18:00:00",""
"7237895","8.6951","0.0004","7.597","0.0003","38.1721","0.0018","90","","90.378","0.004","90","","2521.47","0.19","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H23 N3 O -","- C36 H23 N3 O -","- C144 H92 N12 O4 -","4","1","","Huang, Bin; Jiang, Dawei; Feng, Yan; Chen, Wen-Cheng; Zhang, Ying; Cao, Chen; Shen, Dong; Ji, Yigang; Wang, Chen; Lee, Chun-Sing","Mechanochromic luminescence and color-tunable light-emitting devices of triphenylamine functionalized benzo[d,e]benzo[4,5]imidazo[2,1-a]isoquinolin-7-one","Journal of Materials Chemistry C","2019","7","32","9808","","10.1039/C9TC02592H","","","1.54178","CuKα","","0.0869","0.0696","","","0.1802","0.1931","","","","","","1.053","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237896","17.621","0.003","21.874","0.003","25.8","0.004","90","","105.875","0.004","90","","9565","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C100 H104 N26 O28 Zn -","- C100 H88 N26 O28 Zn -","- C400 H352 N104 O112 Zn4 -","4","0.5","","Sun, Jiupeng; Guo, Pengpeng; Liu, Mei; Li, Hui","A novel cucurbit[6]uril-based supramolecular coordination assembly as a multi-responsive luminescent sensor for Fe3+, Cr2O72− and isoquinoline antibiotics in aqueous medium","Journal of Materials Chemistry C","2019","7","29","8992","","10.1039/C9TC02666E","","","0.71073","MoKα","","0.0933","0.0795","","","0.1923","0.2034","","","","","","1.028","","","","has coordinates,has disorder","238722","2020-10-21","18:00:00",""
"7237897","18.3753","0.001","5.8406","0.0003","21.3396","0.0019","90","","92.947","0.002","90","","2287.2","0.3","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","3,13-Dibromo-5-methoxy-8,8,18,18-tetramethylbacteriochlorin","","- C25 H26 Br2 N4 O -","- C25 H26 Br2 N4 O -","- C100 H104 Br8 N16 O4 -","4","0.5","","Ponsot, Flavien; Bucher, Léo; Desbois, Nicolas; Rousselin, Yoann; Mondal, Pritam; Devillers, Charles H.; Romieu, Anthony; Gros, Claude P.; Singhal, Rahul; Sharma, Ganesh D.","A bacteriochlorin-diketopyrrolopyrrole triad as a donor for solution-processed bulk heterojunction organic solar cells","Journal of Materials Chemistry C","2019","7","31","9655","","10.1039/C9TC02724F","","x-ray","0.71073","MoKα","","0.0423","0.0302","","","0.0682","0.0729","","","","","","1.015","","","","has coordinates,has disorder","238724","2020-10-21","18:00:00",""
"7237898","15.4617","0.0013","13.972","0.0008","11.5956","0.0015","90","","100.466","0.008","90","","2463.3","0.4","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 N2 -","- C30 H34 N2 -","- C120 H136 N8 -","4","1","","Kukhta, Nadzeya A.; Higginbotham, Heather F.; Matulaitis, Tomas; Danos, Andrew; Bismillah, Aisha N.; Haase, Nils; Etherington, Marc K.; Yufit, Dmitry S.; McGonigal, Paul R.; Gražulevičius, Juozas Vidas; Monkman, Andrew P.","Revealing resonance effects and intramolecular dipole interactions in the positional isomers of benzonitrile-core thermally activated delayed fluorescence materials","Journal of Materials Chemistry C","2019","7","30","9184","","10.1039/C9TC02742D","","x-ray","0.71073","MoKα","","0.2091","0.0793","","","0.1285","0.1791","","","","","","0.955","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237899","18.26","0.01","5.891","0.003","23.197","0.012","90","","94.999","0.012","90","","2486","2","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 N2 -","- C30 H34 N2 -","- C120 H136 N8 -","4","1","","Kukhta, Nadzeya A.; Higginbotham, Heather F.; Matulaitis, Tomas; Danos, Andrew; Bismillah, Aisha N.; Haase, Nils; Etherington, Marc K.; Yufit, Dmitry S.; McGonigal, Paul R.; Gražulevičius, Juozas Vidas; Monkman, Andrew P.","Revealing resonance effects and intramolecular dipole interactions in the positional isomers of benzonitrile-core thermally activated delayed fluorescence materials","Journal of Materials Chemistry C","2019","7","30","9184","","10.1039/C9TC02742D","","x-ray","0.71073","MoKα","","0.2594","0.0854","","","0.1441","0.1961","","","","","","0.903","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237900","10.5606","0.001","13.2594","0.0012","17.6725","0.0016","90","","98.27","0.004","90","","2448.9","0.4","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 N2 -","- C30 H34 N2 -","- C120 H136 N8 -","4","1","","Kukhta, Nadzeya A.; Higginbotham, Heather F.; Matulaitis, Tomas; Danos, Andrew; Bismillah, Aisha N.; Haase, Nils; Etherington, Marc K.; Yufit, Dmitry S.; McGonigal, Paul R.; Gražulevičius, Juozas Vidas; Monkman, Andrew P.","Revealing resonance effects and intramolecular dipole interactions in the positional isomers of benzonitrile-core thermally activated delayed fluorescence materials","Journal of Materials Chemistry C","2019","7","30","9184","","10.1039/C9TC02742D","","x-ray","0.71073","MoKα","","0.0729","0.047","","","0.1112","0.124","","","","","","1.023","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237901","10.9309","0.0008","12.5803","0.0008","17.3146","0.0013","70.062","0.006","75.532","0.006","78.116","0.006","2148.2","0.3","293","2","293.15","","","","","","","","","3","P -1","-P 1","2","","","","- C58 H38 N4 -","- C58 H38 N4 -","- C116 H76 N8 -","2","1","","Guo, Jiali; Pan, Lingxiang; Song, Bo; Gu, Jiabao; Zeng, Jiajie; Xu, Xiaotian; Wu, Haozhong; Zhao, Zujin; Wang, Zhiming; Qin, Anjun; Tang, Ben Zhong","Tetraphenylpyrazine decorated 1,3-di(9H-carbazol-9-yl)benzene (mCP): a new AIE-active host with enhanced performance in organic light-emitting diodes","Journal of Materials Chemistry C","2019","7","36","11160","","10.1039/C9TC02748C","","","0.71073","MoKα","","0.0837","0.0507","","","0.1085","0.1325","","","","","","1.043","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237902","38.99","0.002","21.8182","0.0014","21.818","","90","","124.03","","90","","15381.8","1.3","173","2","173","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C38 Cd2 N12 O8 -","- C38 Cd2 N12 O8 -","- C304 Cd16 N96 O64 -","8","1","","Yousaf, Afifa; Arif, Ali Muhammad; Xu, Na; Zhou, Jie; Sun, Chun-Yi; Wang, Xin-Long; Su, Zhong-Min","A triazine-functionalized nanoporous metal‒organic framework for the selective adsorption and chromatographic separation of transition metal ions and cationic dyes and white-light emission by Ln3+ ion encapsulation","Journal of Materials Chemistry C","2019","7","29","8861","","10.1039/C9TC02786F","","","0.71073","MoKα","","0.2445","0.1624","","","0.4623","0.4935","","","","","","1.519","","","","has coordinates,has disorder","238730","2020-10-21","18:00:00",""
"7237903","7.8653","0.0002","10.1875","0.0003","15.2306","0.0004","77.871","0.002","89.802","0.002","87.62","0.002","1192.1","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H30 N4 O6 -","- C25 H30 N4 O6 -","- C50 H60 N8 O12 -","2","1","","Saccone, Marco; Pfletscher, Michael; Kather, Sven; Wölper, Christoph; Daniliuc, Constantin; Mezger, Markus; Giese, Michael","Improving the mesomorphic behaviour of supramolecular liquid crystals by resonance-assisted hydrogen bonding","Journal of Materials Chemistry C","2019","7","28","8643","","10.1039/C9TC02787D","","","1.54178","CuKα","","0.0815","0.0498","","","0.1038","0.1177","","","","","","1.018","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237904","10.5345","0.0005","17.8146","0.0008","18.0404","0.0008","97.6867","0.0014","103.314","0.0014","93.6974","0.0014","3249","0.3","134","2","134","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H38 N6 O6 -","- C36 H38 N6 O6 -","- C144 H152 N24 O24 -","4","2","","Saccone, Marco; Pfletscher, Michael; Kather, Sven; Wölper, Christoph; Daniliuc, Constantin; Mezger, Markus; Giese, Michael","Improving the mesomorphic behaviour of supramolecular liquid crystals by resonance-assisted hydrogen bonding","Journal of Materials Chemistry C","2019","7","28","8643","","10.1039/C9TC02787D","","","1.54178","CuKα","","0.0401","0.0349","","","0.1033","0.1078","","","","","","1.05","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237905","13.6197","0.0004","14.7142","0.0005","16.3128","0.0005","100.607","0.0012","108.11","0.0011","111.409","0.0011","2724.37","0.16","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H70 N10 O7 -","- C58 H70 N10 O7 -","- C116 H140 N20 O14 -","2","1","","Saccone, Marco; Pfletscher, Michael; Kather, Sven; Wölper, Christoph; Daniliuc, Constantin; Mezger, Markus; Giese, Michael","Improving the mesomorphic behaviour of supramolecular liquid crystals by resonance-assisted hydrogen bonding","Journal of Materials Chemistry C","2019","7","28","8643","","10.1039/C9TC02787D","","","1.54178","CuKα","","0.047","0.0388","","","0.0944","0.1028","","","","","","1.041","","","","has coordinates,has disorder","301866","2025-08-22","21:38:34",""
"7237906","8.4941","0.0003","11.0389","0.0006","17.5977","0.0004","90","","90","","90.1","0.01","1650.05","0.11","149.9","0.2","149.9","0.2","","","","","","","","5","P 1 1 21","P 2c","4","","","","- C8 H20 Cl5 N2 Sb -","- C8 H20 Cl5 N2 Sb -","- C32 H80 Cl20 N8 Sb4 -","4","2","","Ksiądzyna, Martyna; Gągor, Anna; Piecha-Bisiorek, Anna; Ciżman, Agnieszka; Medycki, Wojciech; Jakubas, Ryszard","Exploring a hybrid ferroelectric with a 1-D perovskite-like structure: bis(pyrrolidinium) pentachloroantimonate(iii)","Journal of Materials Chemistry C","2019","7","33","10360","","10.1039/C9TC02849H","","x-ray","0.71073","MoKα","","0.0202","0.0199","","","0.0359","0.0362","","","","","","0.832","","","","has coordinates","238738","2020-10-21","18:00:00",""
"7237907","8.5385","0.0005","11.0894","0.0004","17.9031","0.0007","90","","90","","90","","1695.19","0.13","269.96","0.16","269.96","0.16","","","","","","","","5","P m n b","-P 2bc 2a","62","","","","- C8 H20 Cl5 N2 Sb -","- C8 H20 Cl5 N2 Sb -","- C32 H80 Cl20 N8 Sb4 -","4","0.5","","Ksiądzyna, Martyna; Gągor, Anna; Piecha-Bisiorek, Anna; Ciżman, Agnieszka; Medycki, Wojciech; Jakubas, Ryszard","Exploring a hybrid ferroelectric with a 1-D perovskite-like structure: bis(pyrrolidinium) pentachloroantimonate(iii)","Journal of Materials Chemistry C","2019","7","33","10360","","10.1039/C9TC02849H","","x-ray","0.71073","MoKα","","0.0998","0.0747","","","0.2412","0.2702","","","","","","1.06","","","","has coordinates","238738","2020-10-21","18:00:00",""
"7237908","8.5703","0.0004","10.9382","0.0006","17.7953","0.001","90","","90.805","0.005","90","","1668.03","0.15","239.94","0.19","239.94","0.19","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C8 H20 Cl5 N2 Sb -","- C5.33333 H13.3333 Cl3.33333 N1.33333 Sb0.666667 -","- C32 H80 Cl20 N8 Sb4 -","6","3","","Ksiądzyna, Martyna; Gągor, Anna; Piecha-Bisiorek, Anna; Ciżman, Agnieszka; Medycki, Wojciech; Jakubas, Ryszard","Exploring a hybrid ferroelectric with a 1-D perovskite-like structure: bis(pyrrolidinium) pentachloroantimonate(iii)","Journal of Materials Chemistry C","2019","7","33","10360","","10.1039/C9TC02849H","","x-ray","0.71073","MoKα","","0.0726","0.0661","","","0.1735","0.1789","","","","","","1.016","","","","has coordinates","238738","2020-10-21","18:00:00",""
"7237909","8.5385","0.0006","11.0894","0.0005","17.9031","0.0004","90","","90","","90","","1695.19","0.15","254.99","0.1","254.99","0.1","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C8 H20 Cl5 N2 Sb -","- C8 Cl5 N2 Sb -","- C32 Cl20 N8 Sb4 -","4","1","","Ksiądzyna, Martyna; Gągor, Anna; Piecha-Bisiorek, Anna; Ciżman, Agnieszka; Medycki, Wojciech; Jakubas, Ryszard","Exploring a hybrid ferroelectric with a 1-D perovskite-like structure: bis(pyrrolidinium) pentachloroantimonate(iii)","Journal of Materials Chemistry C","2019","7","33","10360","","10.1039/C9TC02849H","","x-ray","0.71073","MoKα","","0.0754","0.0649","","","0.1814","0.1974","","","","","","1.034","","","","has coordinates","238738","2020-10-21","18:00:00",""
"7237910","27.6342","0.0016","8.7182","0.0005","12.6486","0.0007","90","","101.026","0.002","90","","2991.1","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N O2 -","- C19 H13 N O2 -","- C152 H104 N8 O16 -","8","2","","Zhang, Tingting; Gao, Heqi; Lv, Anqi; Wang, Ziyi; Gong, Yongyang; Ding, Dan; Ma, Huili; Zhang, Yongming; Yuan, Wang Zhang","Hydrogen bonding boosted the persistent room temperature phosphorescence of pure organic compounds for multiple applications","Journal of Materials Chemistry C","2019","7","29","9095","","10.1039/C9TC02879J","","","1.54178","CuKα","","0.0712","0.048","","","0.1094","0.1253","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237911","11.66","0.002","15.654","0.004","18.325","0.004","88.065","0.017","75.24","0.02","68.408","0.016","3000.7","1.2","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H13 N O2 -","- C19 H13 N O2 -","- C152 H104 N8 O16 -","8","4","","Zhang, Tingting; Gao, Heqi; Lv, Anqi; Wang, Ziyi; Gong, Yongyang; Ding, Dan; Ma, Huili; Zhang, Yongming; Yuan, Wang Zhang","Hydrogen bonding boosted the persistent room temperature phosphorescence of pure organic compounds for multiple applications","Journal of Materials Chemistry C","2019","7","29","9095","","10.1039/C9TC02879J","","","1.54178","CuKα","","0.0798","0.0608","","","0.1359","0.1473","","","","","","1.092","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237912","4.0212","0.0001","18.617","0.0004","20.8228","0.0005","90","","94.204","0.001","90","","1554.66","0.06","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N O2 -","- C19 H13 N O2 -","- C76 H52 N4 O8 -","4","1","","Zhang, Tingting; Gao, Heqi; Lv, Anqi; Wang, Ziyi; Gong, Yongyang; Ding, Dan; Ma, Huili; Zhang, Yongming; Yuan, Wang Zhang","Hydrogen bonding boosted the persistent room temperature phosphorescence of pure organic compounds for multiple applications","Journal of Materials Chemistry C","2019","7","29","9095","","10.1039/C9TC02879J","","","1.54178","CuKα","","0.0914","0.0806","","","0.2422","0.2635","","","","","","1.132","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237913","17.6736","0.0002","20.21","0.0002","16.2807","0.0001","90","","90","","90","","5815.2","0.09","123.01","0.1","123.01","0.1","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C58 H67 Ir N4 O4 Pt -","- C58 H67 Ir N4 O4 Pt -","- C232 H268 Ir4 N16 O16 Pt4 -","4","1","","Shafikov, Marsel Z.; Tang, Shi; Larsen, Christian; Bodensteiner, Michael; Kozhevnikov, Valery N.; Edman, Ludvig","An efficient heterodinuclear Ir(iii)/Pt(ii) complex: synthesis, photophysics and application in light-emitting electrochemical cells","Journal of Materials Chemistry C","2019","7","34","10672","","10.1039/C9TC02930C","","x-ray","1.54184","CuKα","","0.0276","0.027","","","0.07","0.0707","","","","","","1.021","","","","has coordinates,has disorder","238742","2020-10-21","18:00:00",""
"7237914","15.1821","0.0007","15.1821","0.0007","60.416","0.006","90","","90","","90","","13925.7","1.7","296","2","296","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C32 H16 N2 O16 Zr3 -","- C32 H16 N2 O16 Zr3 -","- C256 H128 N16 O128 Zr24 -","8","0.25","","Liu, Jin-Min; Hou, Jin-Xin; Liu, Jie; Jing, Xu; Li, Li-Jun; Du, Jian-Long","Pyrazinyl-functionalized Zr(iv)-MOF for ultrasensitive detection of tyrosine/TNP and efficient CO2/N2 separation","Journal of Materials Chemistry C","2019","7","38","11851","","10.1039/C9TC03096D","","","0.71073","MoKα","","0.1412","0.0778","","","0.2542","0.2898","","","","","","1.002","","","","has coordinates","238744","2020-10-21","18:00:00",""
"7237915","7.9135","0.0014","16.74","0.003","10.714","0.002","90","","95.788","0.019","90","","1412.1","0.4","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H22 N2 O6 -","- C40 H22 N2 O6 -","- C80 H44 N4 O12 -","2","0.5","","Ono, Toshikazu; Tsukiyama, Yoshifumi; Hatanaka, Sou; Sakatsume, Yuma; Ogoshi, Tomoki; Hisaeda, Yoshio","Inclusion crystals as vapochromic chemosensors: fabrication of a mini-sensor array for discrimination of small aromatic molecules based on side-chain engineering of naphthalenediimide derivatives","Journal of Materials Chemistry C","2019","7","31","9726","","10.1039/C9TC03140E","","x-ray","0.71073","MoKα","","0.1399","0.0623","","","0.1075","0.1402","","","","","","0.9","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237916","7.1404","0.0007","28.69","0.004","8.734","0.0011","90","","91.299","0.01","90","","1788.8","0.4","93","","93","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H22 N2 O7 -","- C47 H28 N2 O7 -","- C94 H56 N4 O14 -","2","0.5","","Ono, Toshikazu; Tsukiyama, Yoshifumi; Hatanaka, Sou; Sakatsume, Yuma; Ogoshi, Tomoki; Hisaeda, Yoshio","Inclusion crystals as vapochromic chemosensors: fabrication of a mini-sensor array for discrimination of small aromatic molecules based on side-chain engineering of naphthalenediimide derivatives","Journal of Materials Chemistry C","2019","7","31","9726","","10.1039/C9TC03140E","","x-ray","0.71073","MoKα","","0.0967","0.0491","","","0.0995","0.1187","","","","","","1.021","","","","has coordinates,has disorder","238746","2020-10-21","18:00:00",""
"7237917","5.5245","0.0006","12.4197","0.0012","15.519","0.0016","71.896","0.009","84.174","0.008","85.859","0.008","1005.93","0.19","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H42 N2 O6 -","- C52 H42 N2 O6 -","- C52 H42 N2 O6 -","1","0.5","","Ono, Toshikazu; Tsukiyama, Yoshifumi; Hatanaka, Sou; Sakatsume, Yuma; Ogoshi, Tomoki; Hisaeda, Yoshio","Inclusion crystals as vapochromic chemosensors: fabrication of a mini-sensor array for discrimination of small aromatic molecules based on side-chain engineering of naphthalenediimide derivatives","Journal of Materials Chemistry C","2019","7","31","9726","","10.1039/C9TC03140E","","x-ray","0.71073","MoKα","","0.1548","0.0778","","","0.154","0.2045","","","","","","1.079","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237918","20.032","0.004","5.762","0.0012","30.235","0.007","90","","100.56","0.02","90","","3430.8","1.3","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H34 N2 O4 -","- C47 H34 N2 O4 -","- C188 H136 N8 O16 -","4","1","","Ono, Toshikazu; Tsukiyama, Yoshifumi; Hatanaka, Sou; Sakatsume, Yuma; Ogoshi, Tomoki; Hisaeda, Yoshio","Inclusion crystals as vapochromic chemosensors: fabrication of a mini-sensor array for discrimination of small aromatic molecules based on side-chain engineering of naphthalenediimide derivatives","Journal of Materials Chemistry C","2019","7","31","9726","","10.1039/C9TC03140E","","x-ray","0.71073","MoKα","","0.2081","0.0716","","","0.118","0.1698","","","","","","0.963","","","","has coordinates,has disorder","301866","2025-08-22","21:38:34",""
"7237919","8.2931","0.0015","9.7165","0.0018","11.682","0.0016","76.505","0.005","83.078","0.005","75.073","0.005","882.6","0.3","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H30 N4 S -","- C46 H30 N4 S -","- C46 H30 N4 S -","1","0.5","","Martín, Raúl; Prieto, Pilar; Carrillo, José R.; Rodríguez, Ana M.; de Cozar, Abel; Boj, Pedro G.; Díaz-García, María A.; Ramírez, Manuel G.","Design, synthesis and amplified spontaneous emission of 1,2,5-benzothiadiazole derivatives","Journal of Materials Chemistry C","2019","7","32","9996","","10.1039/C9TC03148K","","","0.71073","MoKα","","0.1522","0.065","","","0.1557","0.2048","","","","","","0.972","","","","has coordinates,has disorder","238748","2020-10-21","18:00:00",""
"7237920","11.8955","0.0016","17.813","0.002","20.278","0.003","90","","95.537","0.003","90","","4276.7","1","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H28 Cl6 N4 S -","- C48 H28 Cl6 N4 S -","- C192 H112 Cl24 N16 S4 -","4","1","","Martín, Raúl; Prieto, Pilar; Carrillo, José R.; Rodríguez, Ana M.; de Cozar, Abel; Boj, Pedro G.; Díaz-García, María A.; Ramírez, Manuel G.","Design, synthesis and amplified spontaneous emission of 1,2,5-benzothiadiazole derivatives","Journal of Materials Chemistry C","2019","7","32","9996","","10.1039/C9TC03148K","","","0.71073","MoKα","","0.2317","0.0898","","","0.2264","0.2921","","","","","","0.945","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237921","4.914","0.004","10.85","0.008","18.952","0.012","74.5","0.08","85.4","0.07","84.36","0.09","967.5","1.3","566","2","566","2","","","","","","","","6","P -1","-P 1","2","","","","- C H Br N O S -","- C3.55556 H3.77778 Br0.444444 N0.444444 O0.444444 S0.444444 -","- C32 H34 Br4 N4 O4 S4 -","9","4.5","","Shi, Yongqiang; Tang, Yumin; Yang, Kun; Qin, Minchao; Wang, Yang; Sun, Huiliang; Su, Mengyao; Lu, Xinhui; Zhou, Ming; Guo, Xugang","Thiazolothienyl imide-based wide bandgap copolymers for efficient polymer solar cells","Journal of Materials Chemistry C","2019","7","36","11142","","10.1039/C9TC03301G","","","0.71073","MoKα","","0.3183","0.3135","","","0.749","0.7616","","","","","","6.293","","","","has coordinates","238750","2020-10-21","18:00:00",""
"7237922","14.5026","0.0005","10.3056","0.0003","16.6021","0.0006","90","","101.348","0.003","90","","2432.81","0.14","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H36 Br4 N2 Zn -","- C18 H36 Br4 N2 Zn -","- C72 H144 Br16 N8 Zn4 -","4","0.5","","Gao, Ya-Fang; Zhang, Tie; Zhang, Wan-Ying; Ye, Qiong; Fu, Da-Wei","Great advance in high Tc for hybrid photoelectric-switch bulk/film coupled with dielectric and blue-white light","Journal of Materials Chemistry C","2019","7","32","9840","","10.1039/C9TC03338F","","","0.71073","MoKα","","0.0314","0.0247","","","0.0537","0.0557","","","","","","1.031","","","","has coordinates","238752","2020-10-21","18:00:00",""
"7237923","14.6305","0.0011","10.9175","0.0006","16.4244","0.001","90","","103.984","0.007","90","","2545.7","0.3","388","2","388","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H36 Br4 N2 Zn -","- C18 H36 Br4 N2 Zn -","- C72 H144 Br16 N8 Zn4 -","4","0.5","","Gao, Ya-Fang; Zhang, Tie; Zhang, Wan-Ying; Ye, Qiong; Fu, Da-Wei","Great advance in high Tc for hybrid photoelectric-switch bulk/film coupled with dielectric and blue-white light","Journal of Materials Chemistry C","2019","7","32","9840","","10.1039/C9TC03338F","","","0.71073","MoKα","","0.0675","0.0438","","","0.1436","0.1539","","","","","","1.069","","","","has coordinates,has disorder","238752","2020-10-21","18:00:00",""
"7237924","6.9148","0.0001","9.7402","0.0002","14.5052","0.0002","90","","91.353","0.002","90","","976.68","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Cu2 O9 -","- C6 H8 Cu2 O9 -","- C24 H32 Cu8 O36 -","4","1","","Shi, Dongying; Cui, Chao-Jie; Hu, Min; Ren, A-Hao; Song, Lu-Bin; Liu, Chun-Sen; Du, Miao","A microporous mixed-metal (Na/Cu) mixed-ligand (flexible/rigid) metal‒organic framework for photocatalytic H2 generation","Journal of Materials Chemistry C","2019","7","33","10211","","10.1039/C9TC03342D","","","1.54178","CuKα","","0.04","0.0386","","","0.0937","0.0949","","","","","","1.036","","","","has coordinates","238754","2020-10-21","18:00:00",""
"7237925","15.7471","0.001","17.8249","0.001","11.4482","0.0006","90","","95.314","0.005","90","","3199.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32.5 Cu2 N4 Na0.5 O17.5 -","- C28 H18 Cu2 N4 Na0.5 O17.5 -","- C112 H72 Cu8 N16 Na2 O70 -","4","1","","Shi, Dongying; Cui, Chao-Jie; Hu, Min; Ren, A-Hao; Song, Lu-Bin; Liu, Chun-Sen; Du, Miao","A microporous mixed-metal (Na/Cu) mixed-ligand (flexible/rigid) metal‒organic framework for photocatalytic H2 generation","Journal of Materials Chemistry C","2019","7","33","10211","","10.1039/C9TC03342D","","","1.54178","CuKα","","0.0764","0.0582","","","0.1741","0.1922","","","","","","1.073","","","","has coordinates","238756","2020-10-21","18:00:00",""
"7237926","11.1664","0.0015","11.04","0.004","11.208","0.004","90","","98.792","0.006","90","","1365.5","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","9-phenyl-9H-carbazole-2-carbonitrile","","- C19 H12 N2 -","- C19 H12 N2 -","- C76 H48 N8 -","4","1","","Wang, Yanhui; Zhang, Zhenzhen; Liu, Linxi; Yuan, Shou; Ma, Jie; Liu, Danfeng; Xue, Shanfeng; Sun, Qikun; Yang, Wenjun","Cyanophenylcarbazole isomers exhibiting different UV and visible light excitable room temperature phosphorescence","Journal of Materials Chemistry C","2019","7","31","9671","","10.1039/C9TC03444G","","","0.71073","MoKα","","0.0723","0.0424","","","0.0843","0.0942","","","","","","1.004","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237927","10.205","0.0003","15.88","0.0005","8.508","0.0007","90","","92.8","0.04","90","","1377.12","0.14","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(9H-carbazol-9-yl)benzonitrile","","- C19 H12 N2 -","- C19 H12 N2 -","- C76 H48 N8 -","4","1","","Wang, Yanhui; Zhang, Zhenzhen; Liu, Linxi; Yuan, Shou; Ma, Jie; Liu, Danfeng; Xue, Shanfeng; Sun, Qikun; Yang, Wenjun","Cyanophenylcarbazole isomers exhibiting different UV and visible light excitable room temperature phosphorescence","Journal of Materials Chemistry C","2019","7","31","9671","","10.1039/C9TC03444G","","","0.71073","MoKα","","0.2031","0.0636","","","0.1199","0.1715","","","","","","0.964","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237928","14.7314","0.0014","24.585","0.002","8.0451","0.0008","90","","90","","90","","2913.7","0.5","296","2","296","2","","","","","","","","3","I b a 2","I 2 -2c","45","","2-(9H-carbazol-9-yl)benzonitrile","","- C19 H12 N2 -","- C19 H12 N2 -","- C152 H96 N16 -","8","1","","Wang, Yanhui; Zhang, Zhenzhen; Liu, Linxi; Yuan, Shou; Ma, Jie; Liu, Danfeng; Xue, Shanfeng; Sun, Qikun; Yang, Wenjun","Cyanophenylcarbazole isomers exhibiting different UV and visible light excitable room temperature phosphorescence","Journal of Materials Chemistry C","2019","7","31","9671","","10.1039/C9TC03444G","","","0.71073","MoKα","","0.0631","0.0411","","","0.0987","0.1137","","","","","","0.968","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237929","15.265","0.008","8.089","0.004","22.642","0.012","90","","92.613","0.011","90","","2793","2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4","","- C38 H24 N4 -","- C38 H24 N4 -","- C152 H96 N16 -","4","1","","Wang, Yanhui; Zhang, Zhenzhen; Liu, Linxi; Yuan, Shou; Ma, Jie; Liu, Danfeng; Xue, Shanfeng; Sun, Qikun; Yang, Wenjun","Cyanophenylcarbazole isomers exhibiting different UV and visible light excitable room temperature phosphorescence","Journal of Materials Chemistry C","2019","7","31","9671","","10.1039/C9TC03444G","","","0.71073","MoKα","","0.0756","0.0457","","","0.111","0.1276","","","","","","0.993","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237930","13.648","0.003","10.545","0.001","18.9249","0.0008","90","","92.28","0.03","90","","2721.5","0.7","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","9-phenyl-9H-carbazole-3-carbonitrile","","- C19 H12 N2 -","- C19 H12 N2 -","- C152 H96 N16 -","8","1","","Wang, Yanhui; Zhang, Zhenzhen; Liu, Linxi; Yuan, Shou; Ma, Jie; Liu, Danfeng; Xue, Shanfeng; Sun, Qikun; Yang, Wenjun","Cyanophenylcarbazole isomers exhibiting different UV and visible light excitable room temperature phosphorescence","Journal of Materials Chemistry C","2019","7","31","9671","","10.1039/C9TC03444G","","","0.71073","MoKα","","0.0736","0.0499","","","0.1323","0.1476","","","","","","1.086","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237931","17.32","0.003","14.524","0.003","13.424","0.004","90","","125.116","0.008","90","","2762.3","1.1","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H28 Cu N4 O6 Se -","- C30 H28 Cu N4 O6 Se -","- C120 H112 Cu4 N16 O24 Se4 -","4","1","","Gao, Ji-Xing; Wang, Zhong-Xia; Tang, Yuan-Yuan; Liu, Yu-Ling; Zhou, Lin; Chen, Xiao-Gang; Zhang, Wan-Ying; Xiong, Ren-Gen","The distinguishing of cis–trans isomers enabled via dielectric/ferroelectric signal feedback in a supramolecular Cu(1,10-phenanthroline)2SeO4·(diol) system","Journal of Materials Chemistry C","2019","7","35","11022","","10.1039/C9TC03462E","","","0.71073","MoKα","","0.0515","0.0456","","","0.0967","0.1005","","","","","","1.042","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237932","17.7","0.03","14.592","0.018","13.53","0.02","90","","125.01","0.02","90","","2862","7","348","2","348","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 Cu N4 O6 Se -","- C30 H28 Cu N4 O6 Se -","- C120 H112 Cu4 N16 O24 Se4 -","4","0.5","","Gao, Ji-Xing; Wang, Zhong-Xia; Tang, Yuan-Yuan; Liu, Yu-Ling; Zhou, Lin; Chen, Xiao-Gang; Zhang, Wan-Ying; Xiong, Ren-Gen","The distinguishing of cis‒trans isomers enabled via dielectric/ferroelectric signal feedback in a supramolecular Cu(1,10-phenanthroline)2SeO4·(diol) system","Journal of Materials Chemistry C","2019","7","35","11022","","10.1039/C9TC03462E","","","0.71073","MoKα","","0.1491","0.1135","","","0.2422","0.2667","","","","","","1.037","","","","has coordinates","238759","2020-10-21","18:00:00",""
"7237933","18.008","0.017","14.686","0.011","13.433","0.012","90","","125.206","0.015","90","","2903","4","353","2","353","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 Cu N4 O6 Se -","- C30 H28 Cu N4 O6 Se -","- C120 H112 Cu4 N16 O24 Se4 -","4","0.5","","Gao, Ji-Xing; Wang, Zhong-Xia; Tang, Yuan-Yuan; Liu, Yu-Ling; Zhou, Lin; Chen, Xiao-Gang; Zhang, Wan-Ying; Xiong, Ren-Gen","The distinguishing of cis‒trans isomers enabled via dielectric/ferroelectric signal feedback in a supramolecular Cu(1,10-phenanthroline)2SeO4·(diol) system","Journal of Materials Chemistry C","2019","7","35","11022","","10.1039/C9TC03462E","","","0.71073","MoKα","","0.102","0.0757","","","0.1493","0.1632","","","","","","1.045","","","","has coordinates","238759","2020-10-21","18:00:00",""
"7237934","18.25","0.03","14.81","0.03","13.65","0.04","90","","125.12","0.03","90","","3018","12","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 Cu N4 O6 Se -","- C30 H28 Cu N4 O6 Se -","- C120 H112 Cu4 N16 O24 Se4 -","4","0.5","","Gao, Ji-Xing; Wang, Zhong-Xia; Tang, Yuan-Yuan; Liu, Yu-Ling; Zhou, Lin; Chen, Xiao-Gang; Zhang, Wan-Ying; Xiong, Ren-Gen","The distinguishing of cis‒trans isomers enabled via dielectric/ferroelectric signal feedback in a supramolecular Cu(1,10-phenanthroline)2SeO4·(diol) system","Journal of Materials Chemistry C","2019","7","35","11022","","10.1039/C9TC03462E","","","0.71073","MoKα","","0.1588","0.1344","","","0.3212","0.3397","","","","","","1.018","","","","has coordinates","238759","2020-10-21","18:00:00",""
"7237935","12.0916","0.0017","11.4255","0.0016","10.9413","0.0016","90","","101.999","0.003","90","","1478.5","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Tu, Jin; Fan, Yunhao; Wang, Jiaqiang; Li, Xiaoyu; Liu, Fan; Han, Mengmeng; Wang, Can; Li, Qianqian; Li, Zhen","Halogen-substituted triphenylamine derivatives with intense mechanoluminescence properties","Journal of Materials Chemistry C","2019","7","39","12256","","10.1039/C9TC03515J","","","0.71073","MoKα","","0.0594","0.0407","","","0.0928","0.1052","","","","","","1.008","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237936","9.117","0.004","8.4","0.003","11.068","0.004","90","","107.736","0.007","90","","807.3","0.5","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C19 H13 Cl2 N O -","- C19 H13 Cl2 N O -","- C38 H26 Cl4 N2 O2 -","2","1","","Tu, Jin; Fan, Yunhao; Wang, Jiaqiang; Li, Xiaoyu; Liu, Fan; Han, Mengmeng; Wang, Can; Li, Qianqian; Li, Zhen","Halogen-substituted triphenylamine derivatives with intense mechanoluminescence properties","Journal of Materials Chemistry C","2019","7","39","12256","","10.1039/C9TC03515J","","","0.71073","MoKα","","0.0544","0.0429","","","0.1121","0.1219","","","","","","1.188","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237937","9.244","0.004","8.389","0.004","11.306","0.005","90","","107.57","0.008","90","","835.9","0.7","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C19 H13 Br2 N O -","- C19 H13 Br2 N O -","- C38 H26 Br4 N2 O2 -","2","1","","Tu, Jin; Fan, Yunhao; Wang, Jiaqiang; Li, Xiaoyu; Liu, Fan; Han, Mengmeng; Wang, Can; Li, Qianqian; Li, Zhen","Halogen-substituted triphenylamine derivatives with intense mechanoluminescence properties","Journal of Materials Chemistry C","2019","7","39","12256","","10.1039/C9TC03515J","","","0.71073","MoKα","","0.1002","0.0582","","","0.1391","0.1605","","","","","","0.959","","","","has coordinates,has disorder","301866","2025-08-22","21:38:34",""
"7237938","13.173","0.004","13.212","0.004","17.216","0.005","90","","90","","90","","2996.3","1.6","297","2","297","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H13 F2 N O -","- C19 H13 F2 N O -","- C152 H104 F16 N8 O8 -","8","1","","Tu, Jin; Fan, Yunhao; Wang, Jiaqiang; Li, Xiaoyu; Liu, Fan; Han, Mengmeng; Wang, Can; Li, Qianqian; Li, Zhen","Halogen-substituted triphenylamine derivatives with intense mechanoluminescence properties","Journal of Materials Chemistry C","2019","7","39","12256","","10.1039/C9TC03515J","","","0.71073","MoKα","","0.0948","0.0453","","","0.0993","0.1206","","","","","","1.014","","","","has coordinates,has disorder","238761","2020-10-21","18:00:00",""
"7237939","8.3732","0.0003","8.3732","0.0003","13.9808","0.0009","90","","90","","120","","848.88","0.07","320","2","320","2","","","","","","","","2","P 63/m m c","-P 6c 2c","194","DMAPbCl3D - T320K","","","- Cl3 Pb -","- Cl3 Pb -","- Cl12 Pb4 -","4","0.166667","","García-Fernández, Alberto; Juarez-Perez, Emilio Jose; Bermúdez-García, Juan Manuel; Llamas-Saiz, Antonio Luis; Artiaga, Ramón; López-Beceiro, Jorge Jose; Señarís-Rodríguez, María Antonia; Sánchez-Andújar, Manuel; Castro-García, Socorro","Hybrid lead halide [(CH3)2NH2]PbX3 (X = Cl− and Br−) hexagonal perovskites with multiple functional properties","Journal of Materials Chemistry C","2019","7","32","10008","","10.1039/C9TC03543E","","","0.71073","MoKα","","0.0653","0.0517","","","0.1458","0.158","","","","","","1.097","","","","has coordinates","238763","2020-10-21","18:00:00",""
"7237940","8.5","0.0002","13.4458","0.0004","14.1302","0.0005","90","","90","","90","","1614.93","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","DMAPbCl3D - T100K","","","- C4 H16 Cl6 N2 Pb2 -","- C4 H16 Cl6 N2 Pb2 -","- C16 H64 Cl24 N8 Pb8 -","4","1","","García-Fernández, Alberto; Juarez-Perez, Emilio Jose; Bermúdez-García, Juan Manuel; Llamas-Saiz, Antonio Luis; Artiaga, Ramón; López-Beceiro, Jorge Jose; Señarís-Rodríguez, María Antonia; Sánchez-Andújar, Manuel; Castro-García, Socorro","Hybrid lead halide [(CH3)2NH2]PbX3 (X = Cl− and Br−) hexagonal perovskites with multiple functional properties","Journal of Materials Chemistry C","2019","7","32","10008","","10.1039/C9TC03543E","","","0.71073","MoKα","","0.0511","0.0426","","","0.1097","0.1142","","","","","","1.028","","","","has coordinates","238763","2020-10-21","18:00:00",""
"7237941","8.7631","0.0004","13.9568","0.0006","14.711","0.0007","90","","90","","90","","1799.23","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","DMAPbBr_B - 6_T100K","","","- C4 H16 Br6 N2 Pb2 -","- C4 H16 Br6 N2 Pb2 -","- C16 H64 Br24 N8 Pb8 -","4","1","","García-Fernández, Alberto; Juarez-Perez, Emilio Jose; Bermúdez-García, Juan Manuel; Llamas-Saiz, Antonio Luis; Artiaga, Ramón; López-Beceiro, Jorge Jose; Señarís-Rodríguez, María Antonia; Sánchez-Andújar, Manuel; Castro-García, Socorro","Hybrid lead halide [(CH3)2NH2]PbX3 (X = Cl− and Br−) hexagonal perovskites with multiple functional properties","Journal of Materials Chemistry C","2019","7","32","10008","","10.1039/C9TC03543E","","","0.71073","MoKα","","0.136","0.0979","","","0.2229","0.2577","","","","","","1.027","","","","has coordinates","238763","2020-10-21","18:00:00",""
"7237942","9.1587","0.0006","10.6229","0.0007","11.4011","0.0008","101.576","0.006","109.827","0.006","108.65","0.006","927.32","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H42 Br2 N2 O6 S2 -","- C38 H42 Br2 N2 O6 S2 -","- C38 H42 Br2 N2 O6 S2 -","1","0.5","","Guo, Kai; Wu, Botao; Jiang, Yu; Wang, Zhongli; Liang, Ziqi; Li, Yuning; Deng, Yunfeng; Geng, Yanhou","Synthesis of an isomerically pure thienoquinoid for unipolar n-type conjugated polymers: effect of backbone curvature on charge transport performance","Journal of Materials Chemistry C","2019","7","33","10352","","10.1039/C9TC03556G","","","1.54184","CuKα","","0.0795","0.0759","","","0.2158","0.2174","","","","","","1.091","","","","has coordinates,has disorder","301866","2025-08-22","21:38:34",""
"7237943","12.3771","0.0003","37.6178","0.0007","9.1884","0.0002","90","","104.958","0.002","90","","4133.15","0.16","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H35 Cl3 N2 O4 S2 -","- C50 H35 Cl3 N2 O4 S2 -","- C200 H140 Cl12 N8 O16 S8 -","4","1","","Zeng, Xuan; Pan, Kuan-Chung; Lee, Wei-Kai; Gong, Shaolong; Ni, Fan; Xiao, Xiao; Zeng, Weixuan; Xiang, Yepeng; Zhan, Lisi; Zhang, Yu; Wu, Chung-Chih; Yang, Chuluo","High-efficiency pure blue thermally activated delayed fluorescence emitters with a preferentially horizontal emitting dipole orientation via a spiro-linked double D–A molecular architecture","Journal of Materials Chemistry C","2019","7","35","10851","","10.1039/C9TC03582F","","x-ray","1.54184","CuKα","","0.0637","0.0518","","","0.1334","0.146","","","","","","1.015","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237944","8.1792","0.0007","17.3237","0.0015","15.7673","0.0015","90","","103.382","0.003","90","","2173.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 N O2 S -","- C27 H23 N O2 S -","- C108 H92 N4 O8 S4 -","4","1","","Zeng, Xuan; Pan, Kuan-Chung; Lee, Wei-Kai; Gong, Shaolong; Ni, Fan; Xiao, Xiao; Zeng, Weixuan; Xiang, Yepeng; Zhan, Lisi; Zhang, Yu; Wu, Chung-Chih; Yang, Chuluo","High-efficiency pure blue thermally activated delayed fluorescence emitters with a preferentially horizontal emitting dipole orientation via a spiro-linked double D–A molecular architecture","Journal of Materials Chemistry C","2019","7","35","10851","","10.1039/C9TC03582F","","","0.71073","MoKα","","0.0918","0.0507","","","0.1205","0.143","","","","","","1.01","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237945","16.8177","0.0009","11.9953","0.0007","25.5307","0.0015","90","","90","","90","","5150.4","0.5","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H29 Cl2 N3 O2 Pd -","- C26 H29 Cl2 N3 O2 Pd -","- C208 H232 Cl16 N24 O16 Pd8 -","8","1","","Cuerva, Cristián; Campo, José A.; Cano, Mercedes; Schmidt, Rainer","Lamellar columnar liquid-crystalline mesophases as a 2D platform for anhydrous proton conduction","Journal of Materials Chemistry C","2019","7","33","10318","","10.1039/C9TC03627J","","","0.71073","MoKα","","0.1062","0.0509","","","0.1263","0.1808","","","","","","0.993","","","","has coordinates","238769","2020-10-21","18:00:00",""
"7237946","14.5067","0.0015","21.4211","0.0018","20.0413","0.0017","90","","92.027","0.01","90","","6223.9","1","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H38 Br2 N4 O2 Pd -","- C28 H38 Br2 N4 O2 Pd -","- C224 H304 Br16 N32 O16 Pd8 -","8","1","","Cuerva, Cristián; Campo, José A.; Cano, Mercedes; Schmidt, Rainer","Lamellar columnar liquid-crystalline mesophases as a 2D platform for anhydrous proton conduction","Journal of Materials Chemistry C","2019","7","33","10318","","10.1039/C9TC03627J","","","0.71073","MoKα","","0.0805","0.0451","","","0.1211","0.1422","","","","","","0.994","","","","has coordinates","238769","2020-10-21","18:00:00",""
"7237947","9.9655","0.0009","12.2501","0.0011","13.6017","0.0012","85.163","0.002","88.64","0.002","80.607","0.002","1632.3","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H26 Cl3 Ir N4 O2 -","- C38 H26 Cl3 Ir N4 O2 -","- C76 H52 Cl6 Ir2 N8 O4 -","2","1","","You, Caifa; Liu, Denghui; Meng, Fanyuan; Wang, Yafei; Yu, Junting; Wang, Song; Su, Shijian; Zhu, Weiguo","Iridium(iii) phosphors with rigid fused-heterocyclic chelating architectures for efficient deep-red/near-infrared emissions in polymer light-emitting diodes","Journal of Materials Chemistry C","2019","7","35","10961","","10.1039/C9TC03645H","","","0.71073","MoKα","","0.0478","0.0399","","","0.104","0.1088","","","","","","1.03","","","","has coordinates","238771","2020-10-21","18:00:00",""
"7237948","13.2845","0.0007","16.5525","0.0008","17.2928","0.0011","82.589","0.004","74.698","0.004","76.485","0.003","3557","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H93 Ir N4 O6 -","- C81 H93 Ir N4 O6 -","- C162 H186 Ir2 N8 O12 -","2","1","","You, Caifa; Liu, Denghui; Meng, Fanyuan; Wang, Yafei; Yu, Junting; Wang, Song; Su, Shijian; Zhu, Weiguo","Iridium(iii) phosphors with rigid fused-heterocyclic chelating architectures for efficient deep-red/near-infrared emissions in polymer light-emitting diodes","Journal of Materials Chemistry C","2019","7","35","10961","","10.1039/C9TC03645H","","","1.34139","GaKα","","0.0992","0.0623","","","0.1613","0.1898","","","","","","1.031","","","","has coordinates","238772","2020-10-21","18:00:00",""
"7237949","17.686","0.003","10.9614","0.0016","19.865","0.003","90","","106.682","0.008","90","","3689","1","298","","298","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H30 F4 Ir N3 O5 -","- C40 H30 F4 Ir N3 O5 -","- C160 H120 F16 Ir4 N12 O20 -","4","1","","Li, Dan; Li, Guangfu; Xie, Jiaxin; Zhu, Dongxia; Su, Zhongmin; Bryce, Martin R.","Strategic modification of ligands for remarkable piezochromic luminescence (PCL) based on a neutral Ir(iii) phosphor","Journal of Materials Chemistry C","2019","7","35","10876","","10.1039/C9TC03646F","","","1.54178","CuKα","","0.0352","0.0268","","","0.0602","0.0641","","","","","","1.095","","","","has coordinates","238774","2020-10-21","18:00:00",""
"7237950","9.4641","0.0003","10.6052","0.0003","13.0261","0.0004","75.531","0.003","79.202","0.003","87.392","0.003","1243.53","0.07","101","1","101","1","","","","","","","","7","P -1","-P 1","2","","","","- C33 H36 Cl3 N3 O18 S6 Yb2 -","- C33.15 H36 Cl2.85 N3.15 O18 S6 Yb2 -","- C33.15 H36 Cl2.85 N3.15 O18 S6 Yb2 -","1","0.5","","Artizzu, Flavia; Atzori, Matteo; Liu, Jing; Mara, Dimitrije; Van Hecke, Kristof; Van Deun, Rik","Solution-processable Yb/Er 2D-layered metallorganic frameworks with high NIR-emission quantum yields","Journal of Materials Chemistry C","2019","7","36","11207","","10.1039/C9TC03698A","","","1.54184","CuKα","","0.0608","0.0565","","","0.1546","0.1594","","","","","","1.058","","","","has coordinates,has disorder","238776","2020-10-21","18:00:00",""
"7237951","19.7597","0.001","19.7597","0.001","14.6295","0.001","90","","90","","90","","5712","0.6","100","0.1","100","0.1","","","","","","","","7","I 4/m","-I 4","87","","","","- C65.89 H72 Cl6.11 Er4 N5.89 O36 S12 -","- C65.888 H72 Cl6.112 Er4 N5.888 O36 S12 -","- C131.776 H144 Cl12.224 Er8 N11.776 O72 S24 -","2","0.125","","Artizzu, Flavia; Atzori, Matteo; Liu, Jing; Mara, Dimitrije; Van Hecke, Kristof; Van Deun, Rik","Solution-processable Yb/Er 2D-layered metallorganic frameworks with high NIR-emission quantum yields","Journal of Materials Chemistry C","2019","7","36","11207","","10.1039/C9TC03698A","","x-ray","1.54184","CuKα","","0.1828","0.1255","","","0.1707","0.1909","","","","","","1.056","","","","has coordinates,has disorder","238777","2020-10-21","18:00:00",""
"7237952","9.4433","0.0003","10.6073","0.0003","13.0079","0.0004","75.844","0.002","79.142","0.003","87.177","0.002","1240.78","0.07","102","2","102","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H36 Cl3 Er N3 O18 S6 Yb -","- C33.978 H36 Cl2.022 Er2 N3.978 O18 S6 -","- C33.978 H36 Cl2.022 Er2 N3.978 O18 S6 -","1","0.5","","Artizzu, Flavia; Atzori, Matteo; Liu, Jing; Mara, Dimitrije; Van Hecke, Kristof; Van Deun, Rik","Solution-processable Yb/Er 2D-layered metallorganic frameworks with high NIR-emission quantum yields","Journal of Materials Chemistry C","2019","7","36","11207","","10.1039/C9TC03698A","","","1.54184","CuKα","","0.0648","0.0595","","","0.1577","0.1627","","","","","","1.022","","","","has coordinates,has disorder","238779","2020-10-21","18:00:00",""
"7237953","5.0685","0.0013","12.33","0.003","34.435","0.009","90","","90","","90","","2152","0.9","296","2","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1M","","","- C31 H19 N O -","- C31 H19 N O -","- C124 H76 N4 O4 -","4","1","","Zhang, Junying; Tang, Shao-Xiong; Fu, Rong; Xu, Xing-Dong; Feng, Shengyu","Aggregation-induced photodimerization of an alkynylpyrene derivative as a photoresponsive fluorescent ink","Journal of Materials Chemistry C","2019","7","44","13786","","10.1039/C9TC03786A","","","0.71","MoKα","","0.0597","0.038","","","0.0773","0.0876","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237954","12.1535","0.0008","17.2039","0.0013","21.2434","0.0014","85.915","0.006","82.611","0.005","70.949","0.006","4161.6","0.5","180","0.1","180","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C55 H34 N6 -","- C55 H34 N6 -","- C220 H136 N24 -","4","2","","Guo, Xuan; Bian, Mengying; Lv, Fang; Wang, Yuanxun; Zhao, Zifeng; Bian, Zuqiang; Qu, Bo; Xiao, Lixin; Chen, Zhijian","Increasing electron transporting properties and horizontal molecular orientation via meta-position of nitrogen for “(A)n–D–(A)n” structured terpyridine electron-transporting material","Journal of Materials Chemistry C","2019","7","37","11581","","10.1039/C9TC03787J","","x-ray","0.71073","MoKα","","0.1664","0.0869","","","0.1692","0.1973","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237955","14.9363","0.001","14.9363","0.001","39.332","0.006","90","","90","","90","","8774.7","1.6","296.15","","296.15","","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C45 H50 O10 -","- C45 H50 O10 -","- C360 H400 O80 -","8","0.5","","Chen, Jin-Fa; Meng, Guoyun; Zhu, Qian; Zhang, Songhe; Chen, Pangkuan","Pillar[5]arenes: a new class of AIEgen macrocycles used for luminescence sensing of Fe3+ ions","Journal of Materials Chemistry C","2019","7","38","11747","","10.1039/C9TC03831K","","","0.71073","MoKα","","0.1333","0.0603","","","0.1693","0.2291","","","","","","1.001","","","","has coordinates","238785","2020-10-21","18:00:00",""
"7237956","9.0445","0.0013","10.552","0.0015","13.01","0.002","81.909","0.009","70.755","0.009","84.493","0.009","1159","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H23 N3 O2 Pt -","- C27 H23 N3 O2 Pt -","- C54 H46 N6 O4 Pt2 -","2","1","","Sun, Yuanhui; Yang, Xiaolong; Liu, Boao; Guo, Haoran; Zhou, Guijiang; Ma, Wei; Wu, Zhaoxin","Aggregation-induced emission triggered by the radiative-transition-switch of a cyclometallated Pt(ii) complex","Journal of Materials Chemistry C","2019","7","40","12552","","10.1039/C9TC03838H","","","0.71073","MoKα","","0.0314","0.0235","","","0.0552","0.059","","","","","","0.866","","","","has coordinates","238787","2020-10-21","18:00:00",""
"7237957","11.572","0.0003","14.5866","0.0003","20.1757","0.0005","90","","99.824","0.002","90","","3355.64","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(Hdma)Bi(1,4-ndc)2DMF]n,nDMF","","","- C31.99 H33.12 Bi N3 O10 -","- C31.984 H33.132 Bi N3 O10 -","- C127.936 H132.528 Bi4 N12 O40 -","4","1","","Lu, Jian; Zhao, Xiu-Hui; Bai, Bing; Zheng, Fa-Kun; Guo, Guo-Cong","Significant enhancement of cathode-ray scintillation for a conductive Bi-SMOF via in situ partial rare earth ion replacement","Journal of Materials Chemistry C","2019","7","36","11099","","10.1039/C9TC03858B","","x-ray","0.71073","MoKα","","0.0317","0.0232","","","0.0453","0.0472","","","","","","1.021","","","","has coordinates,has disorder","238789","2020-10-21","18:00:00",""
"7237958","13.4753","0.0012","14.2487","0.0013","16.597","0.0015","106.997","0.0017","94.9688","0.0017","107.877","0.0015","2845.4","0.4","296","2","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H18 F6 Ir N3 O3 S -","- C29 H18 F6 Ir N3 O3 S -","- C116 H72 F24 Ir4 N12 O12 S4 -","4","2","","Zhang, Lin; Yan, Zhi-Ping; Tu, Zhen-Long; Wu, Zheng-Guang; Zheng, You-Xuan","Green-emitting iridium(iii) complexes containing pyridine sulfonic acid as ancillary ligands for efficient OLEDs with extremely low efficiency roll-off","Journal of Materials Chemistry C","2019","7","37","11606","","10.1039/C9TC03937F","","","0.71073","MoKα","","0.0626","0.0408","","","0.0975","0.109","","","","","","0.984","","","","has coordinates,has disorder","238790","2020-10-21","18:00:00",""
"7237959","9.0788","0.0008","19.4903","0.0017","31.615","0.003","90","","90","","90","","5594.2","0.9","296","2","296","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H18 F6 Ir N3 O3 S -","- C29 H18 F6 Ir N3 O3 S -","- C232 H144 F48 Ir8 N24 O24 S8 -","8","1","","Zhang, Lin; Yan, Zhi-Ping; Tu, Zhen-Long; Wu, Zheng-Guang; Zheng, You-Xuan","Green-emitting iridium(iii) complexes containing pyridine sulfonic acid as ancillary ligands for efficient OLEDs with extremely low efficiency roll-off","Journal of Materials Chemistry C","2019","7","37","11606","","10.1039/C9TC03937F","","","0.71073","MoKα","","0.0785","0.0558","","","0.1084","0.1155","","","","","","1.177","","","","has coordinates","238792","2020-10-21","18:00:00",""
"7237960","10.951","0.002","10.159","0.002","26.604","0.005","90","","99.365","0.007","90","","2920.3","1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 N4 -","- C37 H32 N4 -","- C148 H128 N16 -","4","1","","Chen, Yating; Zhang, Xinyu; Wang, Mengzhu; Peng, Jingqing; Zhou, Yunbing; Huang, Xiaobo; Gao, Wenxia; Liu, Miaochang; Wu, Huayue","Mechanofluorochromism, polymorphism and thermochromism of novel D–π–A piperidin-1-yl-substitued isoquinoline derivatives","Journal of Materials Chemistry C","2019","7","40","12580","","10.1039/C9TC03942B","","","0.71073","MoKα","","0.1392","0.0831","","","0.206","0.2602","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237961","8.1632","0.0004","33.999","0.002","10.2383","0.0005","90","","90","","90","","2841.5","0.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C37 H30 N4 -","- C37 H30 N4 -","- C148 H120 N16 -","4","1","","Chen, Yating; Zhang, Xinyu; Wang, Mengzhu; Peng, Jingqing; Zhou, Yunbing; Huang, Xiaobo; Gao, Wenxia; Liu, Miaochang; Wu, Huayue","Mechanofluorochromism, polymorphism and thermochromism of novel D–π–A piperidin-1-yl-substitued isoquinoline derivatives","Journal of Materials Chemistry C","2019","7","40","12580","","10.1039/C9TC03942B","","","0.71073","MoKα","","0.0704","0.0445","","","0.0967","0.1109","","","","","","1.056","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237962","8.1615","0.0002","33.9887","0.0012","10.2333","0.0003","90","","90","","90","","2838.7","0.15","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C37 H30 N4 -","- C37 H30 N4 -","- C148 H120 N16 -","4","1","","Chen, Yating; Zhang, Xinyu; Wang, Mengzhu; Peng, Jingqing; Zhou, Yunbing; Huang, Xiaobo; Gao, Wenxia; Liu, Miaochang; Wu, Huayue","Mechanofluorochromism, polymorphism and thermochromism of novel D–π–A piperidin-1-yl-substitued isoquinoline derivatives","Journal of Materials Chemistry C","2019","7","40","12580","","10.1039/C9TC03942B","","","0.71073","MoKα","","0.0674","0.0441","","","0.0845","0.0965","","","","","","1.062","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237963","10.9558","0.0003","10.1374","0.0003","26.5962","0.0007","90","","99.376","0.001","90","","2914.4","0.14","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 N4 -","- C37 H32 N4 -","- C148 H128 N16 -","4","1","","Chen, Yating; Zhang, Xinyu; Wang, Mengzhu; Peng, Jingqing; Zhou, Yunbing; Huang, Xiaobo; Gao, Wenxia; Liu, Miaochang; Wu, Huayue","Mechanofluorochromism, polymorphism and thermochromism of novel D–π–A piperidin-1-yl-substitued isoquinoline derivatives","Journal of Materials Chemistry C","2019","7","40","12580","","10.1039/C9TC03942B","","","0.71073","MoKα","","0.0685","0.0447","","","0.105","0.1221","","","","","","1.034","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237964","13.2762","0.001","13.6624","0.0011","16.458","0.0013","90","","107.96","0.002","90","","2839.8","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 Br2 N2 O3 S2 -","- C27 H34 Br2 N2 O3 S2 -","- C108 H136 Br8 N8 O12 S8 -","4","1","","Wang, Hua-Chun; Ren, Minrun; Cao, Jian; Yin, Hong-Bo; Zhang, Guichuan; Xiao, Jingyang; Ren, Xiancheng; Yip, Hin-Lap; Xu, Yun-Xiang","A distorted lactam unit with intramolecular hydrogen bonds as the electron donor of polymer solar cells","Journal of Materials Chemistry C","2019","7","39","12290","","10.1039/C9TC04014E","","","1.34138","GaKα","","0.0474","0.0455","","","0.1185","0.1202","","","","","","1.036","","","","has coordinates,has disorder","301866","2025-08-22","21:38:34",""
"7237965","8.9832","0.0002","10.0012","0.0004","11.0442","0.0004","76.698","0.003","81.519","0.002","78.513","0.003","940.89","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H30 Cd3 O12 -","- C42 H30 Cd3 O12 -","- C42 H30 Cd3 O12 -","1","0.5","","Miao, Jinling; Nie, Yong; Li, Yexin; Qin, Chengyuan; Ren, Yifan; Xu, Chunyue; Yan, Meijing; Liu, Kexin; Liu, Guangning","Single-component solid state white-light emission and photoluminescence color tuning of a Cd(ii) complex and its application as a luminescence thermometer","Journal of Materials Chemistry C","2019","7","43","13454","","10.1039/C9TC04033A","","x-ray","0.71073","MoKα","","0.0297","0.0221","","","0.0468","0.05","","","","","","1.053","","","","has coordinates","238798","2020-10-21","18:00:00",""
"7237966","12.5936","0.0005","8.8231","0.0003","16.1379","0.0006","90","","99.837","0.004","90","","1766.79","0.12","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H32 Cd2 N4 O8 -","- C38 H32 Cd2 N4 O8 -","- C76 H64 Cd4 N8 O16 -","2","0.5","","Miao, Jinling; Nie, Yong; Li, Yexin; Qin, Chengyuan; Ren, Yifan; Xu, Chunyue; Yan, Meijing; Liu, Kexin; Liu, Guangning","Single-component solid state white-light emission and photoluminescence color tuning of a Cd(ii) complex and its application as a luminescence thermometer","Journal of Materials Chemistry C","2019","7","43","13454","","10.1039/C9TC04033A","","x-ray","0.71073","MoKα","","0.0561","0.0425","","","0.0952","0.1046","","","","","","1.032","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237967","9.1718","0.0003","7.47627","0.00019","30.853","0.0009","90","","91.843","0.003","90","","2114.52","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Cl2 O2 -","- C26 H18 Cl2 O2 -","- C104 H72 Cl8 O8 -","4","1","","Tang, Zhaofeng; Zhou, Sainan; Wang, Xiangyang; Liu, Heyuan; Yan, Xinyu; Liu, Shanshan; Lu, Xiaoqing; Li, Xiyou","Enhancing the intermolecular singlet fission efficiency by controlling the self-assembly of amphipathic tetracene derivatives in aqueous solution","Journal of Materials Chemistry C","2019","7","36","11090","","10.1039/C9TC04070F","","x-ray","1.54184","CuKα","","0.1045","0.0921","","","0.2998","0.3262","","","","","","1.33","","","","has coordinates","238800","2020-10-21","18:00:00",""
"7237968","13.3341","0.0014","14.3315","0.0016","17.3246","0.0017","101.642","0.009","90.149","0.008","90.054","0.009","3242.6","0.6","150","0.1","150","0.1","","","","","","","","2","P -1","-P 1","2","","","","- C96 H64 -","- C96 H64 -","- C192 H128 -","2","1","","Tang, Zhaofeng; Zhou, Sainan; Wang, Xiangyang; Liu, Heyuan; Yan, Xinyu; Liu, Shanshan; Lu, Xiaoqing; Li, Xiyou","Enhancing the intermolecular singlet fission efficiency by controlling the self-assembly of amphipathic tetracene derivatives in aqueous solution","Journal of Materials Chemistry C","2019","7","36","11090","","10.1039/C9TC04070F","","x-ray","0.71","MoKα","","0.1871","0.1004","","","0.2435","0.3185","","","","","","1.048","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237969","19.6702","0.0007","10.3189","0.0005","17.1073","0.0008","90","","90","","90","","3472.4","0.3","100.01","0.1","100.01","0.1","","","","","","","","3","P c a 21","P 2c -2ac","29","","BTCMA","","- C71 H8 S -","- C71 H8 S -","- C284 H32 S4 -","4","1","","Tian, Chengbo; Chen, Miaomiao; Tian, Hanrui; Nan, Ziang; Liang, Yuming; Wei, Zhanhua","Tuning the molecular packing and energy levels of fullerene acceptors for polymer solar cells","Journal of Materials Chemistry C","2019","7","40","12688","","10.1039/C9TC04111G","","x-ray","1.54184","CuKα","","0.0834","0.0785","","","0.2198","0.2238","","","","","","1.078","","","","has coordinates,has disorder","238802","2020-10-21","18:00:00",""
"7237970","19.5012","0.0004","17.5328","0.0003","21.1857","0.0005","90","","98.027","0.002","90","","7172.6","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H10 O S -","- C72 H10 O S -","- C576 H80 O8 S8 -","8","2","","Tian, Chengbo; Chen, Miaomiao; Tian, Hanrui; Nan, Ziang; Liang, Yuming; Wei, Zhanhua","Tuning the molecular packing and energy levels of fullerene acceptors for polymer solar cells","Journal of Materials Chemistry C","2019","7","40","12688","","10.1039/C9TC04111G","","x-ray","1.54184","CuKα","","0.067","0.0558","","","0.1503","0.1622","","","","","","1.057","","","","has coordinates","238802","2020-10-21","18:00:00",""
"7237971","9.3883","0.0002","9.5773","0.0001","11.6563","0.0002","72.243","0.002","81.656","0.002","87.613","0.001","987.57","0.03","291.9","0.5","291.9","0.5","","","","","","","","3","P -1","-P 1","2","","","","- C26 H21 N -","- C26 H21 N -","- C52 H42 N2 -","2","1","","Jiang, Yuqing; Wang, Jiaqiang; Huang, Guangxi; Li, Zhen; Li, Bing Shi; Tang, Ben Zhong","Insight from the old: mechanochromism and mechanoluminescence of two amine-containing tetraphenylethylene isomers","Journal of Materials Chemistry C","2019","7","38","11790","","10.1039/C9TC04140K","","x-ray","1.54184","CuKα","","0.0632","0.0551","","","0.1491","0.1544","","","","","","1.073","","","","has coordinates,has disorder","301866","2025-08-22","21:38:34",""
"7237972","9.8537","0.0005","9.7409","0.0005","10.7497","0.0005","90","","107.104","0.005","90","","986.16","0.09","293","2","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H21 N -","- C26 H21 N -","- C52 H42 N2 -","2","1","","Jiang, Yuqing; Wang, Jiaqiang; Huang, Guangxi; Li, Zhen; Li, Bing Shi; Tang, Ben Zhong","Insight from the old: mechanochromism and mechanoluminescence of two amine-containing tetraphenylethylene isomers","Journal of Materials Chemistry C","2019","7","38","11790","","10.1039/C9TC04140K","","x-ray","1.54184","CuKα","","0.0649","0.0595","","","0.1803","0.19","","","","","","1.075","","","","has coordinates,has disorder","301866","2025-08-22","21:38:34",""
"7237973","21.2255","0.0004","11.3734","0.0002","17.6183","0.0003","90","","113.602","0.002","90","","3897.38","0.13","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N -","- C26 H21 N -","- C208 H168 N8 -","8","2","","Jiang, Yuqing; Wang, Jiaqiang; Huang, Guangxi; Li, Zhen; Li, Bing Shi; Tang, Ben Zhong","Insight from the old: mechanochromism and mechanoluminescence of two amine-containing tetraphenylethylene isomers","Journal of Materials Chemistry C","2019","7","38","11790","","10.1039/C9TC04140K","","x-ray","1.54184","CuKα","","0.07","0.0614","","","0.1619","0.1672","","","","","","1.069","","","","has coordinates,has disorder","301866","2025-08-22","21:38:34",""
"7237974","3.8748","0.0003","13.0602","0.001","11.0151","0.001","90","","98.117","0.007","90","","551.84","0.08","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H4 Br2 O2 S2 -","- C10 H4 Br2 O2 S2 -","- C20 H8 Br4 O4 S4 -","2","0.5","","Tani, Yosuke; Terasaki, Morihisa; Komura, Mao; Ogawa, Takuji","Room-temperature phosphorescence-to-phosphorescence mechanochromism of a metal-free organic 1,2-diketone","Journal of Materials Chemistry C","2019","7","38","11926","","10.1039/C9TC04176A","","","0.71075","MoKα","","0.0352","0.0248","","","0.0521","0.0534","","","","","","1.001","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237975","12.0795","0.0009","9.5698","0.0006","27.9836","0.0017","90","","92.019","0.007","90","","3232.9","0.4","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H44 Br2 O2 S2 Si2 -","- C28 H44 Br2 O2 S2 Si2 -","- C112 H176 Br8 O8 S8 Si8 -","4","0.5","","Tani, Yosuke; Terasaki, Morihisa; Komura, Mao; Ogawa, Takuji","Room-temperature phosphorescence-to-phosphorescence mechanochromism of a metal-free organic 1,2-diketone","Journal of Materials Chemistry C","2019","7","38","11926","","10.1039/C9TC04176A","","","0.71075","MoKα","","0.0442","0.0304","","","0.0604","0.0641","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237976","14.8648","0.0005","14.9373","0.0004","15.6032","0.0004","90","","117.17","0.008","90","","3082.2","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 O2 S2 Si2 -","- C28 H46 O2 S2 Si2 -","- C112 H184 O8 S8 Si8 -","4","1","","Tani, Yosuke; Terasaki, Morihisa; Komura, Mao; Ogawa, Takuji","Room-temperature phosphorescence-to-phosphorescence mechanochromism of a metal-free organic 1,2-diketone","Journal of Materials Chemistry C","2019","7","38","11926","","10.1039/C9TC04176A","","","0.71075","MoKα","","0.0354","0.0295","","","0.0773","0.0874","","","","","","1.098","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237977","6.6874","0.0003","8.4353","0.0003","13.3471","0.0007","86.724","0.004","89.892","0.004","66.719","0.004","690.3","0.06","150","0.1","150","0.1","","","","","","","","5","P 1","P 1","1","","","","- C9 H8 F3 P0.5 S6 -","- C9 H8 F3 P0.5 S6 -","- C18 H16 F6 P S12 -","2","2","","Mroweh, Nabil; Auban-Senzier, Pascale; Vanthuyne, Nicolas; Canadell, Enric; Avarvari, Narcis","Chiral EDT-TTF precursors with one stereogenic centre: substituent size modulation of the conducting properties in the (R-EDT-TTF)2PF6 (R = Me or Et) series","Journal of Materials Chemistry C","2019","7","40","12664","","10.1039/C9TC04243A","","","1.54184","CuKα","","0.0335","0.0331","","","0.0906","0.0912","","","","","","1.067","","","","has coordinates","238810","2020-10-21","18:00:00",""
"7237978","6.6574","0.0008","8.7901","0.0011","13.9791","0.0011","104.001","0.009","93.385","0.008","110.082","0.012","736.36","0.16","150","0.1","150.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C10 H10 F3 P0.5 S6 -","- C10 H10 F3 P0.5 S6 -","- C20 H20 F6 P S12 -","2","2","","Mroweh, Nabil; Auban-Senzier, Pascale; Vanthuyne, Nicolas; Canadell, Enric; Avarvari, Narcis","Chiral EDT-TTF precursors with one stereogenic centre: substituent size modulation of the conducting properties in the (R-EDT-TTF)2PF6 (R = Me or Et) series","Journal of Materials Chemistry C","2019","7","40","12664","","10.1039/C9TC04243A","","","1.54184","CuKα","","0.0676","0.0565","","","0.1619","0.1977","","","","","","1.163","","","","has coordinates","238810","2020-10-21","18:00:00",""
"7237979","11.3175","0.0005","14.386","0.0007","16.3305","0.0007","90","","90","","90","","2658.8","0.2","150.01","0.1","150.01","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C10 H10 S6 -","- C10 H10 S6 -","- C80 H80 S48 -","8","1","","Mroweh, Nabil; Auban-Senzier, Pascale; Vanthuyne, Nicolas; Canadell, Enric; Avarvari, Narcis","Chiral EDT-TTF precursors with one stereogenic centre: substituent size modulation of the conducting properties in the (R-EDT-TTF)2PF6 (R = Me or Et) series","Journal of Materials Chemistry C","2019","7","40","12664","","10.1039/C9TC04243A","","","1.54184","CuKα","","0.0657","0.0568","","","0.1634","0.174","","","","","","1.1","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237980","8.224","0.0002","12.4006","0.0003","13.2719","0.0003","90","","90","","90","","1353.5","0.06","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 S6 -","- C10 H10 S6 -","- C40 H40 S24 -","4","1","","Mroweh, Nabil; Auban-Senzier, Pascale; Vanthuyne, Nicolas; Canadell, Enric; Avarvari, Narcis","Chiral EDT-TTF precursors with one stereogenic centre: substituent size modulation of the conducting properties in the (R-EDT-TTF)2PF6 (R = Me or Et) series","Journal of Materials Chemistry C","2019","7","40","12664","","10.1039/C9TC04243A","","","1.54184","CuKα","","0.0238","0.0223","","","0.0553","0.0562","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237981","6.7396","0.0003","8.5079","0.0003","13.4369","0.0006","93.626","0.003","90.268","0.004","113.096","0.004","706.93","0.06","292.88","0.1","292.88","0.1","","","","","","","","5","P 1","P 1","1","","","","- C18 H16 F6 P S12 -","- C18 H16 F6 P S12 -","- C18 H16 F6 P S12 -","1","1","","Mroweh, Nabil; Auban-Senzier, Pascale; Vanthuyne, Nicolas; Canadell, Enric; Avarvari, Narcis","Chiral EDT-TTF precursors with one stereogenic centre: substituent size modulation of the conducting properties in the (R-EDT-TTF)2PF6 (R = Me or Et) series","Journal of Materials Chemistry C","2019","7","40","12664","","10.1039/C9TC04243A","","","1.54184","CuKα","","0.0538","0.0519","","","0.1332","0.136","","","","","","1.099","","","","has coordinates","238810","2020-10-21","18:00:00",""
"7237982","6.6481","0.0003","8.7844","0.0005","13.9788","0.0005","103.905","0.004","93.412","0.004","109.901","0.005","736.13","0.07","150.01","0.1","150.01","0.1","","","","","","","","5","P 1","P 1","1","","","","- C10 H10 F3 P0.5 S6 -","- C10 H10 F3 P0.5 S6 -","- C20 H20 F6 P S12 -","2","2","","Mroweh, Nabil; Auban-Senzier, Pascale; Vanthuyne, Nicolas; Canadell, Enric; Avarvari, Narcis","Chiral EDT-TTF precursors with one stereogenic centre: substituent size modulation of the conducting properties in the (R-EDT-TTF)2PF6 (R = Me or Et) series","Journal of Materials Chemistry C","2019","7","40","12664","","10.1039/C9TC04243A","","","1.54184","CuKα","","0.0511","0.0468","","","0.1161","0.1218","","","","","","1.05","","","","has coordinates","238810","2020-10-21","18:00:00",""
"7237983","8.2254","0.0002","12.4077","0.0002","13.2789","0.0003","90","","90","","90","","1355.22","0.05","153.26","0.1","153.26","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H10 S6 -","- C10 H10 S6 -","- C40 H40 S24 -","4","1","","Mroweh, Nabil; Auban-Senzier, Pascale; Vanthuyne, Nicolas; Canadell, Enric; Avarvari, Narcis","Chiral EDT-TTF precursors with one stereogenic centre: substituent size modulation of the conducting properties in the (R-EDT-TTF)2PF6 (R = Me or Et) series","Journal of Materials Chemistry C","2019","7","40","12664","","10.1039/C9TC04243A","","","1.54184","CuKα","","0.0238","0.0227","","","0.0585","0.0589","","","","","","1.063","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237984","8.1196","0.0004","10.5643","0.0005","13.074","0.0007","98.689","0.004","99.065","0.004","101.231","0.004","1066.95","0.1","294.54","0.1","294.54","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C14 H18 F6 O P S6 -","- C14 H18 F6 O P S6 -","- C28 H36 F12 O2 P2 S12 -","2","1","","Mroweh, Nabil; Auban-Senzier, Pascale; Vanthuyne, Nicolas; Canadell, Enric; Avarvari, Narcis","Chiral EDT-TTF precursors with one stereogenic centre: substituent size modulation of the conducting properties in the (R-EDT-TTF)2PF6 (R = Me or Et) series","Journal of Materials Chemistry C","2019","7","40","12664","","10.1039/C9TC04243A","","","1.54184","CuKα","","0.0735","0.0619","","","0.1735","0.1928","","","","","","1.061","","","","has coordinates","238810","2020-10-21","18:00:00",""
"7237985","6.7028","0.0004","8.3786","0.0006","13.3275","0.0015","93.076","0.007","90.018","0.008","113.21","0.006","686.72","0.11","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 F6 P S12 -","- C18 H16 F6 P S12 -","- C18 H16 F6 P S12 -","1","0.5","","Mroweh, Nabil; Auban-Senzier, Pascale; Vanthuyne, Nicolas; Canadell, Enric; Avarvari, Narcis","Chiral EDT-TTF precursors with one stereogenic centre: substituent size modulation of the conducting properties in the (R-EDT-TTF)2PF6 (R = Me or Et) series","Journal of Materials Chemistry C","2019","7","40","12664","","10.1039/C9TC04243A","","","1.54184","CuKα","","0.0589","0.0507","","","0.1367","0.1417","","","","","","1.077","","","","has coordinates,has disorder","238810","2020-10-21","18:00:00",""
"7237986","15.0083","0.0002","15.807","0.0002","15.9762","0.0002","83.797","0.001","86.358","0.001","69.306","0.001","3523.53","0.08","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","12AcCz-PM","","- C98 H72 N8 -","- C98 H72 N8 -","- C196 H144 N16 -","2","1","","Zhang, Qing; Sun, Shuaiqiang; Chung, Won Jae; Yoon, Sung Joon; Wang, Yaxiong; Guo, Runda; Ye, Shaofeng; Lee, Jun Yeob; Wang, Lei","Highly efficient TADF OLEDs with low efficiency roll-off based on novel acridine–carbazole hybrid donor-substituted pyrimidine derivatives","Journal of Materials Chemistry C","2019","7","39","12248","","10.1039/C9TC04284A","","x-ray","1.54184","CuKα","","0.0423","0.0414","","","0.0997","0.1001","","","","","","1.092","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237987","15.3627","0.0001","14.6158","0.0001","16.7357","0.0001","90","","107.788","0.001","90","","3578.16","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","23AcCz-PM","","- C49 H36 N4 -","- C49 H36 N4 -","- C196 H144 N16 -","4","1","","Zhang, Qing; Sun, Shuaiqiang; Chung, Won Jae; Yoon, Sung Joon; Wang, Yaxiong; Guo, Runda; Ye, Shaofeng; Lee, Jun Yeob; Wang, Lei","Highly efficient TADF OLEDs with low efficiency roll-off based on novel acridine–carbazole hybrid donor-substituted pyrimidine derivatives","Journal of Materials Chemistry C","2019","7","39","12248","","10.1039/C9TC04284A","","x-ray","1.54184","CuKα","","0.0401","0.0377","","","0.0928","0.0944","","","","","","1.025","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237988","12.284","0.004","7.108","0.002","21.887","0.009","90","","105.717","0.007","90","","1839.6","1.1","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H40 B2 N4 -","- C46 H40 B2 N4 -","- C92 H80 B4 N8 -","2","0.5","","Mukundam, Vanga; Sa, Shreenibasa; Kumari, Anupa; Das, Ritwick; Venkatasubbaiah, Krishnan","B–N coordinated triaryl pyrazole: effect of dimerization, and optical and NLO properties","Journal of Materials Chemistry C","2019","7","40","12725","","10.1039/C9TC04309H","","","0.71073","MoKα","","0.1389","0.077","","","0.1886","0.2299","","","","","","1.029","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237989","11.5795","0.0005","12.0816","0.0005","16.8101","0.0011","97.113","0.004","100.9","0.004","117.414","0.003","1989.1","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H42 B2 N4 S -","- C50 H42 B2 N4 S -","- C100 H84 B4 N8 S2 -","2","1","","Mukundam, Vanga; Sa, Shreenibasa; Kumari, Anupa; Das, Ritwick; Venkatasubbaiah, Krishnan","B–N coordinated triaryl pyrazole: effect of dimerization, and optical and NLO properties","Journal of Materials Chemistry C","2019","7","40","12725","","10.1039/C9TC04309H","","","0.71073","MoKα","","0.0821","0.0633","","","0.1632","0.174","","","","","","1.086","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237990","7.0486","0.0017","15.859","0.004","19.155","0.005","90","","95.549","0.006","90","","2131.2","0.9","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 B2 N4 S2 -","- C54 H44 B2 N4 S2 -","- C108 H88 B4 N8 S4 -","2","0.5","","Mukundam, Vanga; Sa, Shreenibasa; Kumari, Anupa; Das, Ritwick; Venkatasubbaiah, Krishnan","B–N coordinated triaryl pyrazole: effect of dimerization, and optical and NLO properties","Journal of Materials Chemistry C","2019","7","40","12725","","10.1039/C9TC04309H","","","0.71073","MoKα","","0.1252","0.0559","","","0.1223","0.1524","","","","","","0.978","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7237991","13.4091","0.0006","14.0249","0.0007","19.5464","0.0013","109.303","0.004","95.233","0.004","112.832","0.003","3094","0.3","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C71 H72 B2 N4 -","- C71 H72 B2 N4 -","- C142 H144 B4 N8 -","2","1","","Mukundam, Vanga; Sa, Shreenibasa; Kumari, Anupa; Das, Ritwick; Venkatasubbaiah, Krishnan","B‒N coordinated triaryl pyrazole: effect of dimerization, and optical and NLO properties","Journal of Materials Chemistry C","2019","7","40","12725","","10.1039/C9TC04309H","","","0.71073","MoKα","","0.106","0.0569","","","0.1474","0.1664","","","","","","0.936","","","","has coordinates,has disorder","238814","2020-10-21","18:00:00",""
"7237992","24.2858","0.0018","16.1704","0.0012","9.8778","0.0007","90","","97.135","0.006","90","","3849.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C80 H120 N4 O12 -","- C80 H120 N4 O12 -","- C160 H240 N8 O24 -","2","0.5","","Diebold, Morgane; Christ, Elliot; Biniek, Laure; Karmazin, Lydia; Heinrich, Benoît; Contal, Christophe; Ghosh, Suhrit; Mesini, Philippe J.; Brinkmann, Martin","Original polymorphism in a naphthalene bisimide π-conjugated organogelator: a complex interplay between hydrogen bonding and heterocycle π-stacking","Journal of Materials Chemistry C","2019","7","42","13120","","10.1039/C9TC04402G","","","1.54178","CuKα","","0.1464","0.0762","","","0.1924","0.2371","","","","","","1.03","","","","has coordinates,has disorder","301866","2025-08-22","21:38:34",""
"7237993","10.075","0.0004","14.646","0.0005","15.682","0.0006","82.593","0.003","78.874","0.003","82.281","0.003","2237.29","0.15","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","3g in manuscript","","- C62 H64 -","- C62 H64 -","- C124 H128 -","2","1","","Goetz, Katelyn P.; Sekine, Kohei; Paulus, Fabian; Zhong, Yu; Roth, Daniel; Becker-Koch, David; Hofstetter, Yvonne J.; Michel, Elena; Reichert, Lisa; Rominger, Frank; Rudolph, Matthias; Huettner, Sven; Vaynzof, Yana; Herzig, Eva M.; Hashmi, A. Stephen K.; Zaumseil, Jana","The effect of side-chain length on the microstructure and processing window of zone-cast naphthalene-based bispentalenes","Journal of Materials Chemistry C","2019","7","43","13493","","10.1039/C9TC04470A","","","1.54178","CuKα","","0.095","0.0582","","","0.1454","0.1667","","","","","","1.028","","","","has coordinates","238819","2020-10-21","18:00:00",""
"7237994","9.9846","0.0009","15.2085","0.0014","15.4812","0.0014","101.68","0.003","95.697","0.003","108.613","0.003","2147.5","0.3","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C55 H49 Cl3 -","- C55 H49 Cl3 -","- C110 H98 Cl6 -","2","1","","Goetz, Katelyn P.; Sekine, Kohei; Paulus, Fabian; Zhong, Yu; Roth, Daniel; Becker-Koch, David; Hofstetter, Yvonne J.; Michel, Elena; Reichert, Lisa; Rominger, Frank; Rudolph, Matthias; Huettner, Sven; Vaynzof, Yana; Herzig, Eva M.; Hashmi, A. Stephen K.; Zaumseil, Jana","The effect of side-chain length on the microstructure and processing window of zone-cast naphthalene-based bispentalenes","Journal of Materials Chemistry C","2019","7","43","13493","","10.1039/C9TC04470A","","","0.71073","MoKα","","0.1739","0.0787","","","0.1912","0.249","","","","","","1.022","","","","has coordinates,has disorder","238819","2020-10-21","18:00:00",""
"7237995","9.7669","0.0007","15.3758","0.0011","17.385","0.0012","73.683","0.002","85.076","0.002","71.659","0.002","2378.3","0.3","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C59 H57 Cl3 -","- C59 H57 Cl3 -","- C118 H114 Cl6 -","2","1","","Goetz, Katelyn P.; Sekine, Kohei; Paulus, Fabian; Zhong, Yu; Roth, Daniel; Becker-Koch, David; Hofstetter, Yvonne J.; Michel, Elena; Reichert, Lisa; Rominger, Frank; Rudolph, Matthias; Huettner, Sven; Vaynzof, Yana; Herzig, Eva M.; Hashmi, A. Stephen K.; Zaumseil, Jana","The effect of side-chain length on the microstructure and processing window of zone-cast naphthalene-based bispentalenes","Journal of Materials Chemistry C","2019","7","43","13493","","10.1039/C9TC04470A","","","0.71073","MoKα","","0.1654","0.0725","","","0.1862","0.2403","","","","","","1.04","","","","has coordinates,has disorder","238819","2020-10-21","18:00:00",""
"7237996","8.4013","0.0003","8.2","0.0003","29.0071","0.0012","90","","90","","90","","1998.32","0.13","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H16 Br4 N2 Pb S2 -","- C10 H22 Br4 N2 Pb S2 -","- C40 H88 Br16 N8 Pb4 S8 -","4","0.5","","Wei, Wen-Juan; Li, Chao; Li, Lin-Sui; Tang, Yun-Zhi; Jiang, Xing-Xing; Lin, Zhe-Shuai","Phase transition, optical and dielectric properties regulated by anion-substitution in a homologous series of 2D hybrid organic‒inorganic perovskites","Journal of Materials Chemistry C","2019","7","38","11964","","10.1039/C9TC04479E","","","0.71073","MoKα","","0.0655","0.0433","","","0.0892","0.0965","","","","","","1.124","","","","has coordinates","238823","2020-10-21","18:00:00",""
"7237997","7.6733","0.0004","7.6733","0.0004","32.33","0.003","90","","90","","90","","1903.6","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C2.67 H4.8 Cl1.07 N0.53 Pb0.27 S0.53 -","- C2.66667 H4.8 Cl1.06667 N0.533333 Pb0.266667 S0.533333 -","- C40 H72 Cl16 N8 Pb4 S8 -","15","1.875","","Wei, Wen-Juan; Li, Chao; Li, Lin-Sui; Tang, Yun-Zhi; Jiang, Xing-Xing; Lin, Zhe-Shuai","Phase transition, optical and dielectric properties regulated by anion-substitution in a homologous series of 2D hybrid organic‒inorganic perovskites","Journal of Materials Chemistry C","2019","7","38","11964","","10.1039/C9TC04479E","","","0.71073","MoKα","","0.0374","0.0337","","","0.0707","0.0719","","","","","","1.195","","","","has coordinates","238823","2020-10-21","18:00:00",""
"7237998","29.051","0.002","8.6982","0.0006","8.7096","0.0006","90","","90","","90","","2200.8","0.3","212","","212.01","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C31.45 I8 N8 Pb2 S0.55 -","- C31.44 I8 N8 Pb2 S0.56 -","- C62.88 I16 N16 Pb4 S1.12 -","2","0.125","","Wei, Wen-Juan; Li, Chao; Li, Lin-Sui; Tang, Yun-Zhi; Jiang, Xing-Xing; Lin, Zhe-Shuai","Phase transition, optical and dielectric properties regulated by anion-substitution in a homologous series of 2D hybrid organic‒inorganic perovskites","Journal of Materials Chemistry C","2019","7","38","11964","","10.1039/C9TC04479E","","x-ray","0.71073","MoKα","","0.0456","0.0408","","","0.0798","0.0813","","","","","","1.291","","","","has coordinates,has disorder","238823","2020-10-21","18:00:00",""
"7237999","32.397","0.007","7.7997","0.0013","7.7943","0.0014","90","","90","","90","","1969.5","0.6","415","","415","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C21.28 Cl8 N4 Pb2 S2.72 -","- C21.28 Cl8 N4 Pb2 S2.72 -","- C42.56 Cl16 N8 Pb4 S5.44 -","2","0.125","","Wei, Wen-Juan; Li, Chao; Li, Lin-Sui; Tang, Yun-Zhi; Jiang, Xing-Xing; Lin, Zhe-Shuai","Phase transition, optical and dielectric properties regulated by anion-substitution in a homologous series of 2D hybrid organic‒inorganic perovskites","Journal of Materials Chemistry C","2019","7","38","11964","","10.1039/C9TC04479E","","","0.71073","MoKα","","0.0488","0.0291","","","0.0687","0.0767","","","","","","1.107","","","","has coordinates,has disorder","238823","2020-10-21","18:00:00",""
"7238000","8.81","0.002","8.678","0.0019","28.972","0.006","90","","90","","90","","2215","0.8","298","2","298","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10.71 H24.71 I4 N2 Pb S1.29 -","- C10.52 H18 I4 N2 Pb S1.48 -","- C42.08 H72 I16 N8 Pb4 S5.92 -","4","0.5","","Wei, Wen-Juan; Li, Chao; Li, Lin-Sui; Tang, Yun-Zhi; Jiang, Xing-Xing; Lin, Zhe-Shuai","Phase transition, optical and dielectric properties regulated by anion-substitution in a homologous series of 2D hybrid organic‒inorganic perovskites","Journal of Materials Chemistry C","2019","7","38","11964","","10.1039/C9TC04479E","","x-ray","0.71076","MoKα","","0.0889","0.062","","","0.1322","0.1412","","","","","","1.249","","","","has coordinates,has disorder","238823","2020-10-21","18:00:00",""
"7238001","9.7794","0.0002","9.5115","0.0002","23.9482","0.0005","90","","101.228","0.002","90","","2184.95","0.08","293.15","","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H22 O2 -","- C28 H22 O2 -","- C112 H88 O8 -","4","2","","Huang, Guangxi; Jiang, Yuqing; Wang, Jianguo; Li, Zhen; Li, Bing Shi; Tang, Ben Zhong","The influence of intermolecular interactions and molecular packings on mechanochromism and mechanoluminescence – a tetraphenylethylene derivative case","Journal of Materials Chemistry C","2019","7","40","12709","","10.1039/C9TC04501E","","x-ray","1.54184","CuKα","","0.0566","0.0479","","","0.1317","0.139","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238002","19.8069","0.001","5.4313","0.0003","19.6647","0.0009","90","","102.555","0.004","90","","2064.89","0.18","169.99","0.1","169.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 O2 -","- C27 H20 O2 -","- C108 H80 O8 -","4","1","","Huang, Guangxi; Jiang, Yuqing; Wang, Jianguo; Li, Zhen; Li, Bing Shi; Tang, Ben Zhong","The influence of intermolecular interactions and molecular packings on mechanochromism and mechanoluminescence ‒ a tetraphenylethylene derivative case","Journal of Materials Chemistry C","2019","7","40","12709","","10.1039/C9TC04501E","","x-ray","1.54184","CuKα","","0.108","0.0762","","","0.2167","0.2471","","","","","","1.051","","","","has coordinates","238826","2020-10-21","18:00:00",""
"7238003","9.6841","0.0001","9.4043","0.0001","51.7692","0.0006","90","","90.918","0.001","90","","4714.13","0.09","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 O2 -","- C27 H20 O2 -","- C216 H160 O16 -","8","2","","Huang, Guangxi; Jiang, Yuqing; Wang, Jianguo; Li, Zhen; Li, Bing Shi; Tang, Ben Zhong","The influence of intermolecular interactions and molecular packings on mechanochromism and mechanoluminescence – a tetraphenylethylene derivative case","Journal of Materials Chemistry C","2019","7","40","12709","","10.1039/C9TC04501E","","x-ray","1.54184","CuKα","","0.0487","0.0424","","","0.1066","0.1105","","","","","","1.041","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238004","12.5354","0.0008","14.1497","0.0009","35.992","0.002","90","","90","","90","","6384","0.7","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","PI33PPCz","","","- C45 H29 N3 -","- C45 H29 N3 -","- C360 H232 N24 -","8","1","","Li, Zhiqiang; Cheng, Zong; Lin, Jianyan; Xie, Ning; Li, Chenglong; Yang, Guochun; Wang, Yue","Isomer dependent molecular packing and carrier mobility of N-phenylcarbazole–phenanthro[9,10-d]imidazole based materials as hosts for efficient electrophosphorescence devices","Journal of Materials Chemistry C","2019","7","43","13486","","10.1039/C9TC04522H","","","0.71073","MoKα","","0.0876","0.0558","","","0.0978","0.1094","","","","","","1.07","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238005","10.052","0.002","14.186","0.003","21.411","0.004","90","","91.84","0.03","90","","3051.6","1.1","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","PI22PPCz","","","- C45 H29 N3 -","- C45 H29 N3 -","- C180 H116 N12 -","4","1","","Li, Zhiqiang; Cheng, Zong; Lin, Jianyan; Xie, Ning; Li, Chenglong; Yang, Guochun; Wang, Yue","Isomer dependent molecular packing and carrier mobility of N-phenylcarbazole–phenanthro[9,10-d]imidazole based materials as hosts for efficient electrophosphorescence devices","Journal of Materials Chemistry C","2019","7","43","13486","","10.1039/C9TC04522H","","","0.71073","MoKα","","0.13","0.065","","","0.1363","0.1627","","","","","","1.039","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238006","10.3324","0.0004","14.334","0.0005","26.1832","0.001","77.029","0.002","80.766","0.002","74.062","0.002","3613.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H39 N3 O2 -","- C49 H39 N3 O2 -","- C196 H156 N12 O8 -","4","2","","Pandidurai, Jayabalan; Jayakumar, Jayachandran; Senthilkumar, Natarajan; Cheng, Chien-Hong","Effects of intramolecular hydrogen bonding on the conformation and luminescence properties of dibenzoylpyridine-based thermally activated delayed fluorescence materials","Journal of Materials Chemistry C","2019","7","42","13104","","10.1039/C9TC04536H","","","0.71073","MoKα","","0.0772","0.0493","","","0.1009","0.1181","","","","","","1.029","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238007","11.35","0.02","11.79","0.02","12.45","0.02","111.73","0.04","94.96","0.05","92.64","0.04","1536","5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H27 N3 O4 -","- C43 H27 N3 O4 -","- C86 H54 N6 O8 -","2","1","","Pandidurai, Jayabalan; Jayakumar, Jayachandran; Senthilkumar, Natarajan; Cheng, Chien-Hong","Effects of intramolecular hydrogen bonding on the conformation and luminescence properties of dibenzoylpyridine-based thermally activated delayed fluorescence materials","Journal of Materials Chemistry C","2019","7","42","13104","","10.1039/C9TC04536H","","","0.71073","MoKα","","0.1382","0.0805","","","0.1931","0.2285","","","","","","0.969","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238008","9.108","0.0005","9.7627","0.0005","20.9805","0.001","97.767","0.002","97.52","0.002","98.633","0.002","1805.61","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H39 N3 O2 -","- C49 H39 N3 O2 -","- C98 H78 N6 O4 -","2","1","","Pandidurai, Jayabalan; Jayakumar, Jayachandran; Senthilkumar, Natarajan; Cheng, Chien-Hong","Effects of intramolecular hydrogen bonding on the conformation and luminescence properties of dibenzoylpyridine-based thermally activated delayed fluorescence materials","Journal of Materials Chemistry C","2019","7","42","13104","","10.1039/C9TC04536H","","","0.71073","MoKα","","0.1379","0.1039","","","0.2587","0.2831","","","","","","1.055","","","","has coordinates,has disorder","301866","2025-08-22","21:38:34",""
"7238009","9.0935","0.0006","13.5384","0.001","16.5246","0.0011","66.373","0.003","79.409","0.003","75.388","0.003","1795.7","0.2","296","2","296.38","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H44 F20 Ir2 N14 P2 -","- C64 H44 F20 Ir2 N14 P2 -","- C64 H44 F20 Ir2 N14 P2 -","1","0.5","","Mao, Hui-Ting; Cui, Yang; Li, Guang-Fu; Shan, Guo-Gang; Zeng, Qun-Ying; Li, Fu-Shan; Su, Zhong-Min","Dinuclear Ir(iii) complexes with asymmetrical bridging ligands as highly efficient phosphors for single-layer electroluminescent devices","Journal of Materials Chemistry C","2019","7","43","13461","","10.1039/C9TC04556B","","x-ray","0.71073","MoKα","","0.0791","0.0557","","","0.1185","0.1312","","","","","","1.083","","","","has coordinates","238832","2020-10-21","18:00:00",""
"7238010","3.8774","0.0003","7.2116","0.0006","19.1149","0.0014","88.416","0.006","88.918","0.006","82.032","0.006","529.07","0.07","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","2-chloro-9H-thioxanthen-9-one","","- C13 H7 Cl O S -","- C13 H7 Cl O S -","- C26 H14 Cl2 O2 S2 -","2","1","","Wen, Yating; Liu, Haichao; Zhang, Shitong; Gao, Yu; Yan, Yan; Yang, Bing","One-dimensional π–π stacking induces highly efficient pure organic room-temperature phosphorescence and ternary-emission single-molecule white light","Journal of Materials Chemistry C","2019","7","40","12502","","10.1039/C9TC04580E","","","1.54178","CuKα","","0.1033","0.0518","","","0.1203","0.1466","","","","","","0.876","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238011","15.6308","0.001","3.91","0.0002","15.6582","0.001","90","","100.879","0.002","90","","939.77","0.1","100","2","100.02","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","9H-thioxanthen-9-one","","- C13 H8 O S -","- C12.4989 H8 O0.4989 S0.4989 -","- C49.9956 H32 O1.9956 S1.9956 -","4","1","","Wen, Yating; Liu, Haichao; Zhang, Shitong; Gao, Yu; Yan, Yan; Yang, Bing","One-dimensional π‒π stacking induces highly efficient pure organic room-temperature phosphorescence and ternary-emission single-molecule white light","Journal of Materials Chemistry C","2019","7","40","12502","","10.1039/C9TC04580E","","","0.71073","MoKα","","0.0782","0.0573","","","0.1528","0.1689","","","","","","1.093","","","","has coordinates,has disorder","238834","2020-10-21","18:00:00",""
"7238012","3.9237","0.001","7.2727","0.0019","19.173","0.005","88.393","0.004","88.616","0.004","82.487","0.004","542.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-bromo-9H-thioxanthen-9-one","","- C13 H0 Br O S -","- C13 Br O S -","- C26 Br2 O2 S2 -","2","1","","Wen, Yating; Liu, Haichao; Zhang, Shitong; Gao, Yu; Yan, Yan; Yang, Bing","One-dimensional π‒π stacking induces highly efficient pure organic room-temperature phosphorescence and ternary-emission single-molecule white light","Journal of Materials Chemistry C","2019","7","40","12502","","10.1039/C9TC04580E","","","0.71073","MoKα","","0.0837","0.0654","","","0.1792","0.1913","","","","","","1.023","","","","has coordinates","238834","2020-10-21","18:00:00",""
"7238013","4.1712","0.0003","6.1807","0.0004","43.775","0.003","90","","90","","90","","1128.56","0.13","289","2","289","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-iodo-9H-thioxanthen-9-one","","- C13 H7 I O S -","- C13 H7 I O S -","- C52 H28 I4 O4 S4 -","4","1","","Wen, Yating; Liu, Haichao; Zhang, Shitong; Gao, Yu; Yan, Yan; Yang, Bing","One-dimensional π–π stacking induces highly efficient pure organic room-temperature phosphorescence and ternary-emission single-molecule white light","Journal of Materials Chemistry C","2019","7","40","12502","","10.1039/C9TC04580E","","","1.54178","CuKα","","0.0647","0.0599","","","0.1506","0.154","","","","","","1.043","","","","has coordinates","298703","2025-04-03","05:34:22",""
"7238014","10.8799","0.0007","13.3532","0.0008","17.0824","0.001","101.465","0.005","97.263","0.005","109.371","0.006","2244.3","0.3","173","0.1","173","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 N O2 -","- C30 H25 N O2 -","- C120 H100 N4 O8 -","4","2","","Zhang, Fang; Liang, Xiaozhong; Li, Da; Yin, Xiangkai; Tian, Xia; Li, Bin; Xu, Hong; Guo, Kunpeng; Li, Jie","Utilizing the heterocyclic effect towards high contrast ratios of mechanoresponsive luminescence based on aromatic aldehydes","Journal of Materials Chemistry C","2019","7","39","12328","","10.1039/C9TC04586D","","","0.71073","MoKα","","0.1014","0.0603","","","0.1315","0.1608","","","","","","1.045","","","","has coordinates,has disorder","301866","2025-08-22","21:38:34",""
"7238015","22.789","0.0012","11.8841","0.0007","38.1493","0.0018","90","","104.566","0.005","90","","9999.8","0.9","173","0.1","173","0.1","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C33 H31 N O2 -","- C33 H31 N O2 -","- C528 H496 N16 O32 -","16","4","","Zhang, Fang; Liang, Xiaozhong; Li, Da; Yin, Xiangkai; Tian, Xia; Li, Bin; Xu, Hong; Guo, Kunpeng; Li, Jie","Utilizing the heterocyclic effect towards high contrast ratios of mechanoresponsive luminescence based on aromatic aldehydes","Journal of Materials Chemistry C","2019","7","39","12328","","10.1039/C9TC04586D","","","0.71073","MoKα","","0.1294","0.073","","","0.1444","0.1876","","","","","","1.036","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238016","9.3553","0.0005","25.1617","0.0013","9.5973","0.0005","90","","95.653","0.005","90","","2248.2","0.2","173","0.1","173","0.1","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C30 H25 N O3 -","- C30 H25 N O3 -","- C120 H100 N4 O12 -","4","1","","Zhang, Fang; Liang, Xiaozhong; Li, Da; Yin, Xiangkai; Tian, Xia; Li, Bin; Xu, Hong; Guo, Kunpeng; Li, Jie","Utilizing the heterocyclic effect towards high contrast ratios of mechanoresponsive luminescence based on aromatic aldehydes","Journal of Materials Chemistry C","2019","7","39","12328","","10.1039/C9TC04586D","","","0.71073","MoKα","","0.1184","0.073","","","0.1888","0.222","","","","","","1.063","","","","has coordinates,has disorder","238837","2020-10-21","18:00:00",""
"7238017","12.9046","0.0003","13.7184","0.0003","16.8199","0.0004","94.511","0.002","110.592","0.002","110.126","0.002","2548.76","0.12","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","Eu1","","","- C51 H40 Eu F9 O9 P2 -","- C51 H40 Eu F9 O9 P2 -","- C102 H80 Eu2 F18 O18 P4 -","2","1","","Ilmi, Rashid; Khan, Muhammad S.; Sun, Weidong; Zhou, Liang; Wong, Wai-Yeung; Raithby, Paul R.","A single component white electroluminescent device fabricated from a metallo-organic terbium complex","Journal of Materials Chemistry C","2019","7","44","13966","","10.1039/C9TC04653D","","x-ray","0.71073","MoKα","","0.0408","0.0314","","","0.0668","0.0715","","","","","","1.073","","","","has coordinates,has disorder","301866","2025-08-22","21:38:34",""
"7238018","12.9304","0.0003","13.7121","0.0003","16.7959","0.0004","94.449","0.002","110.577","0.002","110.301","0.002","2546.39","0.12","149.6","0.9","149.6","0.9","","","","","","","","6","P -1","-P 1","2","Tb2","","","- C51 H40 F9 O9 P2 Tb -","- C51 H40 F9 O9 P2 Tb -","- C102 H80 F18 O18 P4 Tb2 -","2","1","","Ilmi, Rashid; Khan, Muhammad S.; Sun, Weidong; Zhou, Liang; Wong, Wai-Yeung; Raithby, Paul R.","A single component white electroluminescent device fabricated from a metallo-organic terbium complex","Journal of Materials Chemistry C","2019","7","44","13966","","10.1039/C9TC04653D","","x-ray","0.71073","MoKα","","0.0458","0.0348","","","0.0765","0.0818","","","","","","1.026","","","","has coordinates,has disorder","301866","2025-08-22","21:38:34",""
"7238019","14.018","0.0012","14.018","0.0012","11.1505","0.0019","90","","90","","120","","1897.6","0.4","160","2","160","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C16 H38 Br3 N O7 Zn -","- C16 H37.995 Br3 N O7 Zn -","- C48 H113.985 Br9 N3 O21 Zn3 -","3","0.333333","","Li, Wang; Zeng, Ying; Shu, Xia; He, Chun-Ting; Du, Zi-Yi; Zhang, Wei-Xiong; Chen, Xiao-Ming","Isostructural phase transition and tunable water rotation within a unique solid rotor system","Journal of Materials Chemistry C","2019","7","42","13176","","10.1039/C9TC04765D","","","0.71073","MoKα","","0.0549","0.0534","","","0.1234","0.1247","","","","","","1.136","","","","has coordinates,has disorder","238841","2020-10-21","18:00:00",""
"7238020","14.1219","0.0001","14.1219","0.0001","11.3624","0.0003","90","","90","","120","","1962.4","0.06","296","2","296","2","","","","","","","","6","R 3 :H","R 3","146","","","","- C16 H38 Br3 N O7 Zn -","- C16 H38.0001 Br3 N O7 Zn -","- C48 H114 Br9 N3 O21 Zn3 -","3","0.333333","","Li, Wang; Zeng, Ying; Shu, Xia; He, Chun-Ting; Du, Zi-Yi; Zhang, Wei-Xiong; Chen, Xiao-Ming","Isostructural phase transition and tunable water rotation within a unique solid rotor system","Journal of Materials Chemistry C","2019","7","42","13176","","10.1039/C9TC04765D","","","0.71073","MoKα","","0.0733","0.0429","","","0.1056","0.1184","","","","","","1.01","","","","has coordinates","238841","2020-10-21","18:00:00",""
"7238021","12.9444","0.0006","12.9605","0.0006","20.6567","0.001","88.355","0.004","89.92","0.004","86.34","0.004","3457","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C42 H36 N2 O2 S -","- C42 H36 N2 O2 S -","- C168 H144 N8 O8 S4 -","4","2","","Zhan, Lisi; Xiang, Yepeng; Chen, Zhanxiang; Wu, Kailong; Gong, Shaolong; Xie, Guohua; Yang, Chuluo","Fine-tuning the photophysical properties of thermally activated delayed fluorescent emitters using torsion angles: high performance sky-blue OLEDs","Journal of Materials Chemistry C","2019","7","44","13953","","10.1039/C9TC04804A","","x-ray","1.54184","CuKα","","0.0525","0.0439","","","0.113","0.1194","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238022","8.5922","0.0008","16.4651","0.0018","23.2456","0.0018","90","","90","","90","","3288.6","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 N2 O2 S -","- C42 H36 N2 O2 S -","- C168 H144 N8 O8 S4 -","4","1","","Zhan, Lisi; Xiang, Yepeng; Chen, Zhanxiang; Wu, Kailong; Gong, Shaolong; Xie, Guohua; Yang, Chuluo","Fine-tuning the photophysical properties of thermally activated delayed fluorescent emitters using torsion angles: high performance sky-blue OLEDs","Journal of Materials Chemistry C","2019","7","44","13953","","10.1039/C9TC04804A","","x-ray","0.71073","MoKα","","0.081","0.0605","","","0.1156","0.1298","","","","","","1.003","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238023","16.5526","0.0007","32.2692","0.0011","32.7633","0.0011","103.703","0.002","102.725","0.002","100.939","0.002","16034.9","1.1","190","1","190","1","","","","","","","","4","P -1","-P 1","2","","Cluster-1","","- C280 H378 O238 Yb42 -","- C280 H378 O238 Yb42 -","- C280 H378 O238 Yb42 -","1","0.5","","Shi, Dongliang; Yang, Xiaoping; Chen, Hongfen; Ma, Yanan; Schipper, Desmond; Jones, Richard A.","Self-assembly of luminescent 42-metal lanthanide nanowheels with sensing properties towards metal ions and nitro explosives","Journal of Materials Chemistry C","2019","7","43","13425","","10.1039/C9TC04821A","","","0.71073","MoKα","","0.1649","0.0824","","","0.1869","0.2143","","","","","","0.83","","","","has coordinates","238847","2020-10-21","18:00:00",""
"7238024","16.7518","0.0007","32.1189","0.0011","33.0529","0.0011","104.117","0.002","103.59","0.002","99.196","0.002","16313.4","1.1","190","1","190","1","","","","","","","","4","P -1","-P 1","2","","Cluster-2","","- C280 H378 O238 Sm42 -","- C280 H378 O238 Sm42 -","- C280 H378 O238 Sm42 -","1","0.5","","Shi, Dongliang; Yang, Xiaoping; Chen, Hongfen; Ma, Yanan; Schipper, Desmond; Jones, Richard A.","Self-assembly of luminescent 42-metal lanthanide nanowheels with sensing properties towards metal ions and nitro explosives","Journal of Materials Chemistry C","2019","7","43","13425","","10.1039/C9TC04821A","","","0.71073","MoKα","","0.1202","0.0972","","","0.2432","0.2673","","","","","","1.095","","","","has coordinates","238847","2020-10-21","18:00:00",""
"7238025","8.0052","0.0008","10.0066","0.0009","15.6982","0.0014","90","","100.691","0.004","90","","1235.7","0.2","313","2","313","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H12 N2 O10 V4 -","- C3 H12 N2 O10 V4 -","- C12 H48 N8 O40 V16 -","4","1","","Yao, Zhi-Yuan; Qian, Yin; Ren, Qiu; Zhang, Guo-Qin; Zhang, Jin; Liu, Wen-Long; Luo, Hong-Bin; Ren, Xiao-Ming","Order‒disorder transformation of intercalated cations triggering huge negative thermal expansion, switchable dielectrics and ion conduction near room temperature in a 2D vanadium oxide hybrid","Journal of Materials Chemistry C","2019","7","42","13243","","10.1039/C9TC04911H","","","0.71073","MoKα","","0.0895","0.052","","","0.1175","0.1309","","","","","","1.1","","","","has coordinates","238849","2020-10-21","18:00:00",""
"7238026","7.9959","0.0011","10.0451","0.0011","15.538","0.002","90","","103.935","0.004","90","","1211.3","0.3","330","2","330.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C3 H12 N2 O10 V4 -","- C3 H12 N2 O10 V4 -","- C12 H48 N8 O40 V16 -","4","0.5","","Yao, Zhi-Yuan; Qian, Yin; Ren, Qiu; Zhang, Guo-Qin; Zhang, Jin; Liu, Wen-Long; Luo, Hong-Bin; Ren, Xiao-Ming","Order‒disorder transformation of intercalated cations triggering huge negative thermal expansion, switchable dielectrics and ion conduction near room temperature in a 2D vanadium oxide hybrid","Journal of Materials Chemistry C","2019","7","42","13243","","10.1039/C9TC04911H","","","0.71073","MoKα","","0.0631","0.0463","","","0.1001","0.1057","","","","","","1.101","","","","has coordinates,has disorder","238849","2020-10-21","18:00:00",""
"7238027","7.7604","0.0009","14.5145","0.0016","18.046","0.002","69.651","0.011","79.985","0.011","86.698","0.009","1876.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 N4 S2 Si2 -","- C36 H46 N4 S2 Si2 -","- C72 H92 N8 S4 Si4 -","2","1","","Ding, Fangwei; Xia, Debin; Ge, Congwu; Kang, Zhenchao; Yang, Yulin; Fan, Ruiqing; Lin, Kaifeng; Gao, Xike","Indenone-fused N-heteroacenes","Journal of Materials Chemistry C","2019","7","45","14314","","10.1039/C9TC04962B","","","1.54178","CuKα","","0.1303","0.0845","","","0.2516","0.3184","","","","","","1.029","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238028","10.7016","0.0009","12.967","0.001","13.0146","0.001","79.414","0.002","72.908","0.002","87.393","0.003","1696.8","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H48 N2 O Si2 -","- C37 H48 N2 O Si2 -","- C74 H96 N4 O2 Si4 -","2","1","","Ding, Fangwei; Xia, Debin; Ge, Congwu; Kang, Zhenchao; Yang, Yulin; Fan, Ruiqing; Lin, Kaifeng; Gao, Xike","Indenone-fused N-heteroacenes","Journal of Materials Chemistry C","2019","7","45","14314","","10.1039/C9TC04962B","","","0.71073","MoKα","","0.1127","0.0697","","","0.1626","0.1893","","","","","","1.037","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238029","8.2528","0.0005","14.9237","0.0012","17.2022","0.0012","87.976","0.006","79.647","0.005","85.341","0.006","2076.8","0.3","297","","297","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H51 N2 O Si2 -","- C45 H51 N2 O Si2 -","- C90 H102 N4 O2 Si4 -","2","1","","Ding, Fangwei; Xia, Debin; Ge, Congwu; Kang, Zhenchao; Yang, Yulin; Fan, Ruiqing; Lin, Kaifeng; Gao, Xike","Indenone-fused N-heteroacenes","Journal of Materials Chemistry C","2019","7","45","14314","","10.1039/C9TC04962B","","x-ray","1.54178","CuKα","","0.1068","0.0736","","","0.2164","0.2625","","","","","","1.03","","","","has coordinates,has disorder","238859","2020-10-21","18:00:00",""
"7238030","35.3121","0.0018","7.9802","0.0004","26.6542","0.0012","90","","99.715","0.004","90","","7403.4","0.6","180","0.1","180","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C41 H50 N2 O Si2 -","- C41 H50 N2 O Si2 -","- C328 H400 N16 O8 Si16 -","8","1","","Ding, Fangwei; Xia, Debin; Ge, Congwu; Kang, Zhenchao; Yang, Yulin; Fan, Ruiqing; Lin, Kaifeng; Gao, Xike","Indenone-fused N-heteroacenes","Journal of Materials Chemistry C","2019","7","45","14314","","10.1039/C9TC04962B","","x-ray","1.54184","CuKα","","0.0479","0.0439","","","0.1178","0.1211","","","","","","1.052","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238031","8.0685","0.0005","14.3842","0.0011","18.1853","0.0011","67.428","0.006","79.859","0.005","81.38","0.006","1910.6","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H46 N4 O S Si2 -","- C37 H46 N4 O S Si2 -","- C74 H92 N8 O2 S2 Si4 -","2","1","","Ding, Fangwei; Xia, Debin; Ge, Congwu; Kang, Zhenchao; Yang, Yulin; Fan, Ruiqing; Lin, Kaifeng; Gao, Xike","Indenone-fused N-heteroacenes","Journal of Materials Chemistry C","2019","7","45","14314","","10.1039/C9TC04962B","","","1.54178","CuKα","","0.1019","0.0743","","","0.2295","0.2712","","","","","","1.046","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238032","6.6078","0.0007","14.9482","0.0015","16.8745","0.0018","96.078","0.004","95.431","0.005","102.535","0.004","1606","0.3","170","2","170.01","","","","","","","","","6","P -1","-P 1","2","","","","- C72 H76 F4 N6 O4 S2 -","- C72 H76 F4 N6 O4 S2 -","- C72 H76 F4 N6 O4 S2 -","1","0.5","","Zhou, Qian; Jiang, Yu; Du, Tian; Wang, Zhongli; Liang, Ziqi; Han, Yang; Deng, Yunfeng; Tian, Hongkun; Geng, Yanhou","Diketopyrrolopyrrole-based small molecules for solution-processed n-channel organic thin film transistors","Journal of Materials Chemistry C","2019","7","44","13939","","10.1039/C9TC05038H","","","1.34139","GaKα","","0.1078","0.0732","","","0.2127","0.245","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238033","12.265","0.004","9.76","0.003","26.828","0.009","90","","102.119","0.006","90","","3139.9","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H37 B N2 O2 -","- C37 H37 B N2 O2 -","- C148 H148 B4 N8 O8 -","4","1","","Yu, Yun; Fan, Yuanyuan; Wang, Can; Wei, Yao; Liao, Qiuyan; Li, Qianqian; Li, Zhen","Phenanthroimidazole derivatives with minor structural differences: crystalline polymorphisms, different molecular packing, and totally different mechanoluminescence","Journal of Materials Chemistry C","2019","7","44","13759","","10.1039/C9TC05218F","","","0.71073","MoKα","","0.1009","0.0584","","","0.1435","0.1745","","","","","","1.065","","","","has coordinates,has disorder","301866","2025-08-22","21:38:34",""
"7238034","28.0786","0.0007","9.9927","0.0002","20.671","0.0004","90","","104.841","0.002","90","","5606.4","0.2","292.6","0.6","292.6","0.6","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","C33H31BN2O3","","- C33 H29 B N2 O3 -","- C33 H29 B N2 O3 -","- C264 H232 B8 N16 O24 -","8","1","","Yu, Yun; Fan, Yuanyuan; Wang, Can; Wei, Yao; Liao, Qiuyan; Li, Qianqian; Li, Zhen","Phenanthroimidazole derivatives with minor structural differences: crystalline polymorphisms, different molecular packing, and totally different mechanoluminescence","Journal of Materials Chemistry C","2019","7","44","13759","","10.1039/C9TC05218F","","x-ray","1.54184","CuKα","","0.0891","0.0831","","","0.2603","0.2702","","","","","","1.043","","","","has coordinates","238872","2020-10-21","18:00:00",""
"7238035","10.253","0.0019","10.807","0.002","14.406","0.003","77.441","0.003","89.437","0.003","80.778","0.003","1537.4","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H37 B N2 O2 -","- C37 H37 B N2 O2 -","- C74 H74 B2 N4 O4 -","2","1","","Yu, Yun; Fan, Yuanyuan; Wang, Can; Wei, Yao; Liao, Qiuyan; Li, Qianqian; Li, Zhen","Phenanthroimidazole derivatives with minor structural differences: crystalline polymorphisms, different molecular packing, and totally different mechanoluminescence","Journal of Materials Chemistry C","2019","7","44","13759","","10.1039/C9TC05218F","","","0.71073","MoKα","","0.0682","0.0519","","","0.1553","0.1771","","","","","","1.034","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238036","11.9377","0.0003","9.3838","0.0002","19.0539","0.0005","90","","90.192","0.002","90","","2134.42","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H26 Br6 Cu N2 -","- C10 H26 Br6 Cu N2 -","- C40 H104 Br24 Cu4 N8 -","4","1","","Sui, Yan; Zhong, Ye-Shun; Wang, Jing-Jing; Xia, Qin; Wang, Liang-Jun; Liu, Dong-Sheng","A semiconducting organic‒inorganic hybrid ([BrCH2CH2N(CH3)3]2+[CuBr4]2−) with switchable dielectric properties derived from an unusual piston-like displacive movement","Journal of Materials Chemistry C","2019","7","45","14294","","10.1039/C9TC05328J","","","0.71073","MoKα","","0.064","0.0378","","","0.0704","0.0763","","","","","","0.955","","","","has coordinates","238876","2020-10-21","18:00:00",""
"7238037","11.9733","0.0016","9.414","0.002","19.243","0.003","90","","90.089","0.013","90","","2169","0.6","363","0.1","363","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H26 Br6 Cu N2 -","- C10 H26 Br6 Cu N2 -","- C40 H104 Br24 Cu4 N8 -","4","1","","Sui, Yan; Zhong, Ye-Shun; Wang, Jing-Jing; Xia, Qin; Wang, Liang-Jun; Liu, Dong-Sheng","A semiconducting organic‒inorganic hybrid ([BrCH2CH2N(CH3)3]2+[CuBr4]2−) with switchable dielectric properties derived from an unusual piston-like displacive movement","Journal of Materials Chemistry C","2019","7","45","14294","","10.1039/C9TC05328J","","","0.71073","MoKα","","0.223","0.0798","","","0.1082","0.1458","","","","","","0.923","","","","has coordinates","238876","2020-10-21","18:00:00",""
"7238038","13.295","0.0007","16.9126","0.001","33.4253","0.0019","94.049","0.002","96.201","0.002","90.124","0.002","7452.8","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H26 N4 O -","- C43 H26 N4 O -","- C344 H208 N32 O8 -","8","4","","Cheng, Zong; Liang, Jixiong; Li, Zhiqiang; Yang, Tong; Lin, Chunhui; Mu, Xiaoyue; Wang, Yue","Photoluminescent manipulation of phenoxazine-based molecules via regulating conformational isomerization, and the corresponding electroluminescent properties","Journal of Materials Chemistry C","2019","7","45","14255","","10.1039/C9TC05368A","","","0.71073","MoKα","","0.0987","0.0596","","","0.1446","0.1577","","","","","","1.065","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238039","38.7107","0.0019","11.7637","0.0006","21.4913","0.001","90","","98.148","0.003","90","","9687.9","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C59 H58 N4 O -","- C59 H58 N4 O -","- C472 H464 N32 O8 -","8","1","","Cheng, Zong; Liang, Jixiong; Li, Zhiqiang; Yang, Tong; Lin, Chunhui; Mu, Xiaoyue; Wang, Yue","Photoluminescent manipulation of phenoxazine-based molecules via regulating conformational isomerization, and the corresponding electroluminescent properties","Journal of Materials Chemistry C","2019","7","45","14255","","10.1039/C9TC05368A","","","0.71073","MoKα","","0.0758","0.0509","","","0.1037","0.1142","","","","","","1.015","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238087","10.779","0.002","11.647","0.002","17.741","0.004","86.46","0.03","83.91","0.03","63.32","0.03","1978.6","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H54 Mo12 N8 O40 Si -","- C64 H48 Mo12 N8 O40 Si -","- C64 H48 Mo12 N8 O40 Si -","1","0.5","","Han, Zhangang; Zhao, Yulong; Peng, Jun; Tian, Aixiang; Liu, Qun; Ma, Jianfang; Wang, Enbo; Hu, Ninghai","Co-existing intermolecular halogen bonding, aryl packing and hydrogen bonding in driving the self-assembly process of Keggin polyoxometalates","CrystEngComm","2005","7","63","380","","10.1039/b501922b","","","0.71073","MoKα","","0.0698","0.0473","","","0.1123","0.1264","","","","","","1.037","","","","has coordinates","244063","2020-10-21","18:00:00",""
"7238088","21.22","0.004","15.343","0.003","24.707","0.005","90","","109.23","0.03","90","","7595","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H28.4 Cl3 Mo12 N6 O42.2 P -","- C30 H21 Cl3 Mo12 N6 O42.2 P -","- C120 H84 Cl12 Mo48 N24 O168.8 P4 -","4","0.5","","Han, Zhangang; Zhao, Yulong; Peng, Jun; Tian, Aixiang; Liu, Qun; Ma, Jianfang; Wang, Enbo; Hu, Ninghai","Co-existing intermolecular halogen bonding, aryl packing and hydrogen bonding in driving the self-assembly process of Keggin polyoxometalates","CrystEngComm","2005","7","63","380","","10.1039/b501922b","","","0.71073","MoKα","","0.0782","0.0571","","","0.1596","0.1741","","","","","","1.023","","","","has coordinates","244063","2020-10-21","18:00:00",""
"7238089","9.783","0.002","14.444","0.003","15.724","0.003","88.09","0.03","72.05","0.03","79.4","0.03","2077","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H55 Br4 Mo12 N8 O43 P -","- C64 H44 Br4 Mo12 N8 O43 P -","- C64 H44 Br4 Mo12 N8 O43 P -","1","0.5","","Han, Zhangang; Zhao, Yulong; Peng, Jun; Tian, Aixiang; Liu, Qun; Ma, Jianfang; Wang, Enbo; Hu, Ninghai","Co-existing intermolecular halogen bonding, aryl packing and hydrogen bonding in driving the self-assembly process of Keggin polyoxometalates","CrystEngComm","2005","7","63","380","","10.1039/b501922b","","","0.71073","MoKα","","0.0872","0.0614","","","0.1774","0.1966","","","","","","1.04","","","","has coordinates","244063","2020-10-21","18:00:00",""
"7238090","9.897","0.002","14.401","0.003","15.775","0.003","87.64","0.03","72.1","0.03","79.24","0.03","2101.6","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H56 Br4 N8 O43 Si W12 -","- C64 H44 Br4 N8 O43 Si W12 -","- C64 H44 Br4 N8 O43 Si W12 -","1","0.5","","Han, Zhangang; Zhao, Yulong; Peng, Jun; Tian, Aixiang; Liu, Qun; Ma, Jianfang; Wang, Enbo; Hu, Ninghai","Co-existing intermolecular halogen bonding, aryl packing and hydrogen bonding in driving the self-assembly process of Keggin polyoxometalates","CrystEngComm","2005","7","63","380","","10.1039/b501922b","","","0.71073","MoKα","","0.0787","0.0706","","","0.1504","0.1538","","","","","","1.199","","","","has coordinates","244063","2020-10-21","18:00:00",""
"7238091","9.1196","0.0005","37.326","0.001","8.8987","0.0004","90","","90","","90","","3029.1","0.2","293","2","293","2","","","","","","","","6","C 2 e b","C -2ac 2","41","","","","- C9 H21 I7 N3 O4 Pb2 -","- C9 H18 I7 N3 O4 Pb2 -","- C36 H72 I28 N12 O16 Pb8 -","4","0.5","","Mercier, Nicolas","(HO2C(CH2)3NH3)2(CH3NH3)Pb2I7: a predicted non-centrosymmetrical structure built up from carboxylic acid supramolecular synthons and bilayer perovskite sheets","CrystEngComm","2005","7","70","429","","10.1039/b504342e","","x-ray","0.71073","MoKα","","0.066","0.0365","","","0.0627","0.0683","","","","","","1.018","","","","has coordinates","244064","2020-10-21","18:00:00",""
"7238092","8.904","0.001","9.266","0.001","24.261","0.003","90","","90","","90","","2001.6","0.4","293","2","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H20 I4 N2 O4 Pb -","- C8 H20 I4 N2 O4 Pb -","- C32 H80 I16 N8 O16 Pb4 -","4","0.5","","Mercier, Nicolas","(HO2C(CH2)3NH3)2(CH3NH3)Pb2I7: a predicted non-centrosymmetrical structure built up from carboxylic acid supramolecular synthons and bilayer perovskite sheets","CrystEngComm","2005","7","70","429","","10.1039/b504342e","","x-ray","0.71073","MoKα","","","0.0277","","","","0.0738","","","","","","0.997","","","","has coordinates","244064","2020-10-21","18:00:00",""
"7238093","11.3793","0.0009","9.6944","0.0007","13.5323","0.001","90","","90","","90","","1492.82","0.19","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H4 Cu I N2 -","- C7 H4 Cu I N2 -","- C56 H32 Cu8 I8 N16 -","8","1","","Wu, Tao; Li, Dan; Ng, Seik Weng","Solvent control in the hydrothermal synthesis of two copper(i) iodide‒benzimidazole coordination polymers","CrystEngComm","2005","7","84","514","","10.1039/b506273j","","","0.71073","MoKα","","0.0718","0.0636","","","0.1882","0.1949","","","","","","1.167","","","","has coordinates","244065","2020-10-21","18:00:00",""
"7238094","15.8807","0.0012","4.1476","0.0003","17.2672","0.0013","90","","111.929","0.001","90","","1055.05","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 Cu2 I2 N2 -","- C7 H6 Cu2 I2 N2 -","- C28 H24 Cu8 I8 N8 -","4","1","","Wu, Tao; Li, Dan; Ng, Seik Weng","Solvent control in the hydrothermal synthesis of two copper(i) iodide‒benzimidazole coordination polymers","CrystEngComm","2005","7","84","514","","10.1039/b506273j","","","0.71073","MoKα","","0.0488","0.0373","","","0.0954","0.1135","","","","","","1.105","","","","has coordinates","244065","2020-10-21","18:00:00",""
"7238095","6.7802","0.0009","6.7802","0.0009","27.425","0.007","90","","90","","90","","1260.8","0.4","100","0.2","100","0.2","","","","","","","","3","P 41","P 4w","76","(4aR*,8aS*,9aR*,10aS*)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro- 4a,8a,9a,10a-anthracenetetraol","(4aR*,8aS*,9aR*,10aS*)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-4a,8a,9a,10a- anthracenetetraol","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","1","","Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam","Concomitant dimorphism and helical self-assembly in a C2h-symmetric ‘locked’ cyclitol","CrystEngComm","2005","7","65","398","","10.1039/b506591g","","x-ray","0.71073","MoKα","","0.0436","0.0422","","","0.0986","0.0993","","","","","","1.224","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238096","9.2811","0.0019","9.926","0.002","13.927","0.003","92.912","0.003","101.065","0.003","91.848","0.004","1256.4","0.5","100","0.2","100","0.2","","","","","","","","3","P -1","-P 1","2","(4aR*,8aS*,9aR*,10aS*)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro- 4a,8a,9a,10a-anthracenetetraol","(4aR*,8aS*,9aR*,10aS*)-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-4a,8a,9a,10a- anthracenetetraol","","- C14 H20 O4 -","- C14 H20 O4 -","- C56 H80 O16 -","4","2","","Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam","Concomitant dimorphism and helical self-assembly in a C2h-symmetric ‘locked’ cyclitol","CrystEngComm","2005","7","65","398","","10.1039/b506591g","","x-ray","0.71073","MoKα","","0.0714","0.0519","","","0.1322","0.1458","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238097","5.958","0.005","5.994","0.005","9.867","0.008","86.177","0.013","82.547","0.013","73.2","0.012","334.3","0.5","292","2","292","2","","","","","","","","3","P -1","-P 1","2","(4aR,8aS,9aR,10aS)perhydro-4a,8a,9a,10a-anthracenetetraol","(4aR,8aS,9aR,10aS)perhydro-4a,8a,9a,10a-anthracenetetraol","","- C14 H24 O4 -","- C14 H24 O4 -","- C14 H24 O4 -","1","0.5","","Mehta, Goverdhan; Sen, Saikat; Venkatesan, Kailasam","Concomitant dimorphism and helical self-assembly in a C2h-symmetric ‘locked’ cyclitol","CrystEngComm","2005","7","65","398","","10.1039/b506591g","","x-ray","0.71073","MoKα","","0.0576","0.0504","","","0.1405","0.1471","","","","","","1.058","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238098","6.4271","0.0005","12.845","0.001","13.122","0.001","87.403","0.001","78.592","0.001","87.916","0.001","1060.39","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H42 I2 N2 O4 Pd S2 -","- C40 H42 I2 N2 O4 Pd S2 -","- C40 H42 I2 N2 O4 Pd S2 -","1","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Engineering organic/inorganic diols that reversibly capture and release volatile guests","CrystEngComm","2005","7","86","527","","10.1039/b507966g","","","0.71069","MoKα","","0.0538","0.0464","","","0.1279","0.1356","","","","","","1.059","","","","has coordinates","244068","2020-10-21","18:00:00",""
"7238099","7.0847","0.0004","12.3248","0.0006","12.7151","0.0007","88.999","0.001","74.24","0.001","86.511","0.001","1066.53","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 I2 N4 O4 Pd -","- C42 H42 I2 N4 O4 Pd -","- C42 H42 I2 N4 O4 Pd -","1","0.5","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Engineering organic/inorganic diols that reversibly capture and release volatile guests","CrystEngComm","2005","7","86","527","","10.1039/b507966g","","","0.71069","MoKα","","0.0373","0.0308","","","0.0821","0.0872","","","","","","1.045","","","","has coordinates","244068","2020-10-21","18:00:00",""
"7238100","12.388","0.001","13.834","0.002","14.151","0.002","64.58","0.002","67.931","0.002","83.78","0.002","2025.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H42 I2 N2 O5 Pd -","- C42 H42 I2 N2 O5 Pd -","- C84 H84 I4 N4 O10 Pd2 -","2","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Engineering organic/inorganic diols that reversibly capture and release volatile guests","CrystEngComm","2005","7","86","527","","10.1039/b507966g","","","0.71069","MoKα","","0.0902","0.0503","","","0.1317","0.1615","","","","","","1.001","","","","has coordinates","244068","2020-10-21","18:00:00",""
"7238101","10.955","0.002","11.153","0.002","14.248","0.003","91.81","0.003","91.062","0.004","105.529","0.003","1675.8","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 I2 N2 O2 Pd -","- C36 H30 I2 N2 O2 Pd -","- C72 H60 I4 N4 O4 Pd2 -","2","1","","Bacchi, Alessia; Bosetti, Elsa; Carcelli, Mauro","Engineering organic/inorganic diols that reversibly capture and release volatile guests","CrystEngComm","2005","7","86","527","","10.1039/b507966g","","","0.71069","MoKα","","0.1475","0.111","","","0.3493","0.3703","","","","","","1.308","","","","has coordinates","244068","2020-10-21","18:00:00",""
"7238102","8.36","0.0017","8.478","0.0017","22.484","0.006","90","","107.92","0.03","90","","1516.3","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cd2 N2 O9 -","- C14 H8 Cd2 N2 O9 -","- C56 H32 Cd8 N8 O36 -","4","1","","Zhang, Hong-Tao; Li, Yi-Zhi; Wang, Hua-Qin; Nfor, Emmanuel N.; You, Xiao-Zeng","From loop-like chain to helix: a result of symmetry breaking triggered by the replacement of coordination water","CrystEngComm","2005","7","94","578","","10.1039/b510446g","","","0.71073","MoKα","","0.0372","0.0275","","","0.0652","0.0681","","","","","","1.085","","","","has coordinates","244069","2020-10-21","18:00:00",""
"7238103","9.142","0.0018","9.597","0.0019","9.904","0.002","117.25","0.03","104.93","0.03","98.44","0.03","710.1","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 Cd N3 O8 -","- C11 H11 Cd N3 O8 -","- C22 H22 Cd2 N6 O16 -","2","1","","Zhang, Hong-Tao; Li, Yi-Zhi; Wang, Hua-Qin; Nfor, Emmanuel N.; You, Xiao-Zeng","From loop-like chain to helix: a result of symmetry breaking triggered by the replacement of coordination water","CrystEngComm","2005","7","94","578","","10.1039/b510446g","","","0.71073","MoKα","","0.0439","0.0325","","","0.0789","0.0835","","","","","","1.074","","","","has coordinates","244069","2020-10-21","18:00:00",""
"7238104","8.1781","0.0009","10.4752","0.0012","17.291","0.002","78.35","0.02","84.08","0.02","81.4","0.03","1430.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H42 Cd4 N8 O29 -","- C52 H42 Cd4 N8 O29 -","- C52 H42 Cd4 N8 O29 -","1","0.5","","Zhang, Hong-Tao; Li, Yi-Zhi; Wang, Hua-Qin; Nfor, Emmanuel N.; You, Xiao-Zeng","From loop-like chain to helix: a result of symmetry breaking triggered by the replacement of coordination water","CrystEngComm","2005","7","94","578","","10.1039/b510446g","","","0.71073","MoKα","","0.0694","0.0427","","","0.0811","0.0854","","","","","","0.952","","","","has coordinates","244069","2020-10-21","18:00:00",""
"7238105","7.8679","0.0019","15.969","0.004","8.078","0.002","90","","114.515","0.01","90","","923.4","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Cd N O6 -","- C7 H7 Cd N O6 -","- C28 H28 Cd4 N4 O24 -","4","1","","Zhang, Hong-Tao; Li, Yi-Zhi; Wang, Hua-Qin; Nfor, Emmanuel N.; You, Xiao-Zeng","From loop-like chain to helix: a result of symmetry breaking triggered by the replacement of coordination water","CrystEngComm","2005","7","94","578","","10.1039/b510446g","","","0.71073","MoKα","","0.0415","0.0319","","","0.0579","0.0605","","","","","","0.952","","","","has coordinates","244069","2020-10-21","18:00:00",""
"7238106","33.839","0.005","5.6356","0.0009","17.58","0.003","90","","116.787","0.003","90","","2992.8","0.8","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H22 Cu2 N4 O11 -","- C34 H22 Cu2 N4 O11 -","- C136 H88 Cu8 N16 O44 -","4","0.5","","Ghoshal, Debajyoti; Ghosh, Ananta Kumar; Ribas, Joan; Mostafa, Golam; Chaudhuri, Nirmalendu Ray","Synthesis, crystal structure and magnetic behavior of a croconato bridged Cu(ii) complex: effect of C‒H⋯O interaction in controlling the coordination bond formation in organic‒inorganic hybrid","CrystEngComm","2005","7","102","616","","10.1039/b511251f","","","0.71073","MoKα","","0.1282","0.0563","","","0.1252","0.1396","","","","","","0.885","","","","has coordinates","244070","2020-10-21","18:00:00",""
"7238107","7.9398","0.001","8.2908","0.0011","8.5591","0.0011","83.699","0.002","87.174","0.002","86.834","0.002","558.63","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","cis-dichloro[2-(phenylselanyl)ethanamine]platinum(II)","","- C8 H11 Cl2 N Pt Se -","- C8 H11 Cl2 N Pt Se -","- C16 H22 Cl4 N2 Pt2 Se2 -","2","1","","Carland, Michael; Abrahams, Brendan F.; Denny, William A.; Murray, Vincent; McFadyen, W. David","Hydrogen-bonded networks from novel platinum(ii) dimers","CrystEngComm","2005","7","115","701","","10.1039/b511536a","","","0.71073","MoKα","","0.0323","0.0303","","","0.0783","0.0794","","","","","","1.043","","","","has coordinates","244071","2020-10-21","18:00:00",""
"7238108","10.5679","0.0008","10.7752","0.0009","11.4873","0.0009","90","","98.485","0.001","90","","1293.76","0.18","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","cis-dichloro[2-benzylselanyl)ethanamine]platinum(II)","","- C9 H13 Cl2 N Pt Se -","- C9 H13 Cl2 N Pt Se -","- C36 H52 Cl8 N4 Pt4 Se4 -","4","1","","Carland, Michael; Abrahams, Brendan F.; Denny, William A.; Murray, Vincent; McFadyen, W. David","Hydrogen-bonded networks from novel platinum(ii) dimers","CrystEngComm","2005","7","115","701","","10.1039/b511536a","","","0.71073","MoKα","","0.0516","0.0469","","","0.1102","0.1115","","","","","","1.047","","","","has coordinates","244071","2020-10-21","18:00:00",""
"7238109","16.199","0.003","23.421","0.003","8.289","0.002","90","","90","","90","","3144.8","1","294","","","","","","","","","","","6","P b a 2","P 2 -2ab","32","","","","- C22 H31 Cl2 Fe N10 O6.5 -","- C22 H26 Cl2.5 Fe N10 O6 -","- C88 H104 Cl10 Fe4 N40 O24 -","4","1","","Scudder, Marcia L.; Craig, Donald C.; Goodwin, Harold A.","Hydrogen bonding influences on the properties of heavily hydrated chloride salts of iron(ii) and ruthenium(ii) complexes of 2,6-bis(pyrazol-3-yl)pyridine, 2,6-bis(1,2,4-triazol-3-yl)pyridine and 2,2′∶6′,2″-terpyridine","CrystEngComm","2005","7","107","642","","10.1039/b511825e","","","0.71073","MoKα","","","0.063","","","","0.073","","","","","","1.91","","","","has coordinates","244072","2020-10-21","18:00:00",""
"7238110","11.733","0.002","11.733","0.002","20.664","0.004","90","","90","","90","","2844.7","0.9","294","","","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C18 H26 Cl2 Fe N14 O6 -","- C18 H14 Cl2 Fe N14 O6 -","- C72 H56 Cl8 Fe4 N56 O24 -","4","0.25","","Scudder, Marcia L.; Craig, Donald C.; Goodwin, Harold A.","Hydrogen bonding influences on the properties of heavily hydrated chloride salts of iron(ii) and ruthenium(ii) complexes of 2,6-bis(pyrazol-3-yl)pyridine, 2,6-bis(1,2,4-triazol-3-yl)pyridine and 2,2′∶6′,2″-terpyridine","CrystEngComm","2005","7","107","642","","10.1039/b511825e","","","0.71073","MoKα","","","0.071","","","","0.105","","","","","","1.7","","","","has coordinates","244072","2020-10-21","18:00:00",""
"7238111","16.299","0.004","23.473","0.005","8.339","0.002","90","","90","","90","","3190.4","1.3","294","","","","","","","","","","","6","P b a 2","P 2 -2ab","32","","","","- C22 H31 Cl2 N10 O6.5 Ru -","- C22 H26 Cl2.5 N10 O6 Ru -","- C88 H104 Cl10 N40 O24 Ru4 -","4","1","","Scudder, Marcia L.; Craig, Donald C.; Goodwin, Harold A.","Hydrogen bonding influences on the properties of heavily hydrated chloride salts of iron(ii) and ruthenium(ii) complexes of 2,6-bis(pyrazol-3-yl)pyridine, 2,6-bis(1,2,4-triazol-3-yl)pyridine and 2,2′∶6′,2″-terpyridine","CrystEngComm","2005","7","107","642","","10.1039/b511825e","","","0.71073","MoKα","","","0.052","","","","0.067","","","","","","1.95","","","","has coordinates","244072","2020-10-21","18:00:00",""
"7238112","8.836","0.003","20.969","0.004","17.825","0.004","90","","91.26","0.02","90","","3301.9","1.5","294","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Cl2 N6 O6 Ru -","- C30 H22 Cl7 N6 O Ru -","- C120 H88 Cl28 N24 O4 Ru4 -","4","1","","Scudder, Marcia L.; Craig, Donald C.; Goodwin, Harold A.","Hydrogen bonding influences on the properties of heavily hydrated chloride salts of iron(ii) and ruthenium(ii) complexes of 2,6-bis(pyrazol-3-yl)pyridine, 2,6-bis(1,2,4-triazol-3-yl)pyridine and 2,2′∶6′,2″-terpyridine","CrystEngComm","2005","7","107","642","","10.1039/b511825e","","","0.71073","MoKα","","","0.056","","","","0.069","","","","","","1.87","","","","has coordinates","244072","2020-10-21","18:00:00",""
"7238113","9.6207","0.0003","11.1229","0.0003","11.5791","0.0003","75.102","0.001","73.232","0.001","71.184","0.001","1104.44","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetraphenylphosphonium chloride, hydrogenperoxide water solvate","","- C24 H24 Cl O3.85 P -","- C24 H24 Cl O3.85 P -","- C48 H48 Cl2 O7.7 P2 -","2","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.0376","0.0337","","","0.0919","0.0943","","","","","","1.07","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238114","9.6277","0.0011","11.1642","0.0013","11.6014","0.0014","75.114","0.002","73.164","0.002","71.148","0.003","1111","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetraphenylphosphonium chloride, hydrogenperoxide water solvate","","- C24 H24 Cl O3.9 P -","- C24 H24 Cl O3.9 P -","- C48 H48 Cl2 O7.8 P2 -","2","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.071","0.0565","","","0.1307","0.1367","","","","","","1.073","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238115","9.6029","0.0006","11.128","0.0007","11.5333","0.0007","75.131","0.001","73.415","0.001","71.343","0.001","1100.42","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetraphenylphosphonium chloride, hydrogenperoxide water solvate","","- C24 H24 Cl O3.73 P -","- C24 H24 Cl O3.73 P -","- C48 H48 Cl2 O7.46 P2 -","2","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.047","0.0406","","","0.0996","0.1033","","","","","","1.034","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238116","9.5924","0.0005","11.1652","0.0006","11.9082","0.0006","75.233","0.001","71.189","0.001","70.977","0.001","1125.23","0.1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetraphenylphosphonium bromide, hydrogenperoxide water solvate","","- C24 H24 Br O3.84 P -","- C24 H24 Br O3.84 P -","- C48 H48 Br2 O7.68 P2 -","2","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.0509","0.035","","","0.0765","0.0811","","","","","","1.03","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238117","10.8495","0.0006","16.3505","0.0009","12.8342","0.0007","90","","91.889","0.001","90","","2275.5","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetraphenylphosphonium bromide, hydrogenperoxide water solvate","","- C24 H24 Br O3.5 P -","- C24 H24 Br O3.5 P -","- C96 H96 Br4 O14 P4 -","4","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.0689","0.0376","","","0.0829","0.0908","","","","","","0.985","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238118","9.6626","0.0006","11.1999","0.0007","11.5831","0.0008","75.261","0.001","73.801","0.001","71.866","0.001","1124.51","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetraphenylarsonium chloride, hydrogenperoxide water solvate","","- C24 H24 As Cl O3.85 -","- C24 H24 As Cl O3.85 -","- C48 H48 As2 Cl2 O7.7 -","2","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.028","0.0258","","","0.0633","0.0642","","","","","","1.062","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238119","10.4668","0.0003","15.9259","0.0004","13.1947","0.0003","90","","101.444","0.001","90","","2155.74","0.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetraphenylarsonium chloride, hydrogenperoxide solvate","","- C24 H23 As Cl O3 -","- C24 H23 As Cl O3 -","- C96 H92 As4 Cl4 O12 -","4","1","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal–·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.0358","0.0277","","","0.0715","0.0744","","","","","","1.055","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238120","10.8149","0.0002","12.7601","0.0003","15.4838","0.0004","82.691","0.001","80.994","0.001","86.723","0.001","2091.75","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","Tetraphenylarsonium chloride, hydrogenperoxide water solvate","","- C24 H22 As Cl O1.98 -","- C24 H22 As Cl O1.98 -","- C96 H88 As4 Cl4 O7.92 -","4","2","","Churakov, Andrei V.; Prikhodchenko, Petr V.; Howard, Judith A. K.","The preparation and crystal structures of novel perhydrates Ph4X+Hal‒·nH2O2: anionic hydrogen-bonded chains containing hydrogen peroxide","CrystEngComm","2005","7","110","664","","10.1039/b511834d","","","0.71073","MoKα","","0.0482","0.0322","","","0.0761","0.0805","","","","","","0.983","","","","has coordinates,has disorder","244073","2020-10-21","18:00:00",""
"7238121","9.771","0.003","10.467","0.006","11.703","0.007","99.62","0.03","101.62","0.04","117.14","0.03","996.2","1","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H26 O3 -","- C24 H26 O3 -","- C48 H52 O6 -","2","1","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest–host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.0718","0.0485","","","0.1172","0.1406","","","","","","0.932","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238122","12.007","0.006","9.772","0.005","21.546","0.011","90","","98.194","0.003","90","","2502","2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","Bis(4-hydroxy-3,5-dimethylphenyl)(4-formylphenyl)methane: benzene inclusion","","","- C30 H30 O3 -","- C30 H30 O3 -","- C120 H120 O12 -","4","1","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest–host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.1301","0.073","","","0.1912","0.2459","","","","","","1.014","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238123","12.11","0.004","9.815","0.003","21.26","0.006","90","","97.277","0.002","90","","2506.6","1.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Bis(4-hydroxy-3,5-dimethylphenyl)(4-nitrophenyl)methane with benzene","","","- C28 H28 N O4 -","- C29 H29 N O4 -","- C116 H116 N4 O16 -","4","1","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.1362","0.0626","","","0.1606","0.1966","","","","","","1.021","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238124","35.873","0.002","35.873","0.002","6.108","0.01","90","","90","","120","","6807","11","296","2","296","2","","","","","","","","3","R -3 :H","-R 3","148","Bis(4-hydroxyphenyl)phenylmethane","Bis(4-hydroxyphenyl)phenylmethane","","- C114 H98 O13 -","- C19 H16 O2.16667 -","- C342 H288 O39 -","18","1","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.0751","0.0572","","","0.1643","0.1841","","","","","","1.037","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238125","11.482","0.012","11.739","0.011","12.465","0.013","62.491","0.006","63.027","0.006","62.88","0.006","1262","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Bis(4-hydroxy-2,6-dimethylphenyl)(4- aminophenyl)methane:Toluene solvate","","","- C30 H33 N O2 -","- C20 H22 N0.666667 O1.33333 -","- C60 H66 N2 O4 -","3","1.5","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.1293","0.0794","","","0.2325","0.262","","","","","","1.151","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238126","9.692","0.002","11.739","0.003","12.104","0.007","112.155","0.003","101.102","0.004","91.062","0.004","1245.3","0.8","296","2","296","2","","","","","","","","3","P -1","-P 1","2","(Bis(4-hydroxy-3,5-dimethylphenyl)(4-hydroxyphenyl))methane","","","- C30 H32 O3 -","- C30 H31 O3 -","- C60 H62 O6 -","2","1","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest‒host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.081","0.0663","","","0.1893","0.2065","","","","","","1.045","","","","has coordinates","244074","2020-10-21","18:00:00",""
"7238127","5.331","0.004","14.537","0.013","15.166","0.014","85.576","0.006","88.042","0.006","85.168","0.006","1167.2","1.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","Bis(((4-hydroxy-3,5-dimethylphenyl)methyl)phenyl)nicotinamide","","","- C29 H28 N2 O3 -","- C29 H28 N2 O3 -","- C58 H56 N4 O6 -","2","1","","Sarma, Rupam J.; Baruah, Jubaraj B.","Selectivity in guest–host binding in assemblies of bisphenols","CrystEngComm","2005","7","116","706","","10.1039/b512786f","","","0.71073","MoKα","","0.1312","0.0797","","","0.0978","0.1503","","","","","","0.872","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238128","7.746","0.004","10.408","0.005","12.556","0.007","90","","100.061","0.008","90","","996.7","0.9","292","2","292","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","(3aR*,4R*,5S*,6R*,7S*,7aR*)perhydro-3a,4,5,6,7,7a-indenehexaol","(3aR*,4R*,5S*,6R*,7S*,7aR*)perhydro-3a,4,5,6,7,7a-indenehexaol","","- C9 H16 O6 -","- C9 H16 O6 -","- C36 H64 O24 -","4","1","","Mehta, Goverdhan; Sen, Saikat","Fine tuning the hydrophilic–hydrophobic balance in inositols through annulation: An analysis of the hydrogen-bonded architectures of ‘annulated inositols’","CrystEngComm","2005","7","109","656","","10.1039/b512911g","","x-ray","0.71073","MoKα","","0.0386","0.0359","","","0.0978","0.0996","","","","","","1.03","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238129","6.1134","0.0013","7.6139","0.0013","11.668","0.002","102.319","0.003","97.916","0.003","91.829","0.002","524.49","0.17","295","2","296","2","","","","","","","","3","P -1","-P 1","2","annulated myo-inositol","(1R*,2R*,3R*,4S*,4aR*,8aR*)perhydro-1,2,3,4,4a,8a-naphthalenehexaol","","- C10 H18 O6 -","- C10 H18 O6 -","- C20 H36 O12 -","2","1","","Mehta, Goverdhan; Sen, Saikat","Fine tuning the hydrophilic–hydrophobic balance in inositols through annulation: An analysis of the hydrogen-bonded architectures of ‘annulated inositols’","CrystEngComm","2005","7","109","656","","10.1039/b512911g","","x-ray","0.71073","MoKα","","0.1005","0.0577","","","0.1353","0.1549","","","","","","1.017","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238130","12.559","0.004","12.916","0.004","13.86","0.004","87.959","0.006","87.627","0.006","70.606","0.006","2118.3","1.1","292","2","292","2","","","","","","","","3","P -1","-P 1","2","annulated chiro-inositol","(1R*,2S*,3R*,4S*,4aR*,8aR*)perhydro-1,2,3,4,4a,8a-naphthalenehexaol","","- C10 H18 O6 -","- C10 H18 O6 -","- C80 H144 O48 -","8","4","","Mehta, Goverdhan; Sen, Saikat","Fine tuning the hydrophilic–hydrophobic balance in inositols through annulation: An analysis of the hydrogen-bonded architectures of ‘annulated inositols’","CrystEngComm","2005","7","109","656","","10.1039/b512911g","","x-ray","0.71073","MoKα","","0.0916","0.0499","","","0.1116","0.1294","","","","","","0.967","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238131","13.7281","0.0005","10.14","0.0004","13.8928","0.0006","90","","118.578","0.001","90","","1698.3","0.12","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Valyl-L-alanine acetonitrile solvate 0.85 hydrate","L-Valyl-L-alanine acetonitrile solvate 0.85 hydrate","","- C8.67 H17.57 N2.33 O3.29 -","- C8.66667 H17.574 N2.33333 O3.287 -","- C52 H105.444 N14 O19.722 -","6","3","","Görbitz, Carl Henrik","Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate","CrystEngComm","2005","7","111","670","","10.1039/b513055g","","","0.71073","MoKα","","0.0436","0.0373","","","0.0928","0.0962","","","","","","1.059","","","","has coordinates,has disorder","244076","2020-10-21","18:00:00",""
"7238132","14.4539","0.0018","14.4539","0.0018","9.996","0.003","90","","90","","120","","1808.5","0.6","105","2","105","2","","","","","","","","4","P 61","P 61","169","L-Valyl-L-alanine","L-Valyl-L-alanine","","- C8.41 H16 N2 O3 -","- C8.411 H16 N2 O3 -","- C50.466 H96 N12 O18 -","6","1","","Görbitz, Carl Henrik","Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate","CrystEngComm","2005","7","111","670","","10.1039/b513055g","","","0.71073","MoKα","","0.0564","0.0393","","","0.0875","0.0958","","","","","","1.11","","","","has coordinates","244076","2020-10-21","18:00:00",""
"7238133","14.0668","0.0013","9.8053","0.001","14.1915","0.0014","90","","116.172","0.002","90","","1756.7","0.3","105","2","105","2","","","","","","","","5","P 1 21 1","P 2yb","4","L-Valyl-L-serine trifluoroethanol solvate","L-Valyl-L-serine trifluoroethanol solvate","","- C8.28 H16 F0.85 N2 O4.13 -","- C8.27967 H16 F0.855 N2 O4.12933 -","- C49.678 H96 F5.13 N12 O24.776 -","6","3","","Görbitz, Carl Henrik","Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate","CrystEngComm","2005","7","111","670","","10.1039/b513055g","","","0.71073","MoKα","","0.0601","0.0455","","","0.1135","0.1213","","","","","","1.139","","","","has coordinates,has disorder","244076","2020-10-21","18:00:00",""
"7238134","14.0999","0.0014","9.814","0.001","14.2142","0.0014","90","","116.14","0.002","90","","1765.7","0.3","105","2","105","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-Valyl-L-serine trifluoroethanol solvate","L-Valyl-L-serine trifluoroethanol solvate","","- C8.55 H15.94 N2 O4.08 -","- C8.56233 H15.9407 N2 O4.086 -","- C51.374 H95.644 N12 O24.516 -","6","3","","Görbitz, Carl Henrik","Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate","CrystEngComm","2005","7","111","670","","10.1039/b513055g","","","0.71073","MoKα","","0.0598","0.0389","","","0.0908","0.1","","","","","","1.114","","","","has coordinates,has disorder","244076","2020-10-21","18:00:00",""
"7238135","13.687","0.004","15.018","0.004","17.572","0.005","82.449","0.005","75.466","0.005","62.991","0.005","3114.4","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H50 Mn2 N6 O8 -","- C76 H50 Mn2 N6 O8 -","- C152 H100 Mn4 N12 O16 -","2","1","","Zou, Ru-Qiang; Liu, Chun-Sen; Shi, Xue-Song; Bu, Xian-He; Ribas, Joan","Tuning the topologies of MnII complexes with 3-(2-pyridyl)pyrazole and carboxylate ligands by intramolecular hydrogen bonds and the geometries of pendant ligands: crystal structures and magnetic properties","CrystEngComm","2005","7","118","722","","10.1039/b513269j","","","0.71073","MoKα","","0.1503","0.0576","","","0.0918","0.1175","","","","","","0.946","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238136","12.203","0.004","21.137","0.004","10.774","0.004","90","","90","","90","","2779","1.5","293","2","293","2","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C30 H24 Mn N6 O4 -","- C30 H24 Mn N6 O4 -","- C120 H96 Mn4 N24 O16 -","4","0.5","","Zou, Ru-Qiang; Liu, Chun-Sen; Shi, Xue-Song; Bu, Xian-He; Ribas, Joan","Tuning the topologies of MnII complexes with 3-(2-pyridyl)pyrazole and carboxylate ligands by intramolecular hydrogen bonds and the geometries of pendant ligands: crystal structures and magnetic properties","CrystEngComm","2005","7","118","722","","10.1039/b513269j","","","0.71073","MoKα","","0.0767","0.0403","","","0.0897","0.1089","","","","","","1.021","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238137","12.0122","0.0018","10.5592","0.0015","25.048","0.004","90","","90","","90","","3177.1","0.8","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H28 Mn N6 O4 -","- C38 H28 Mn N6 O4 -","- C152 H112 Mn4 N24 O16 -","4","0.5","","Zou, Ru-Qiang; Liu, Chun-Sen; Shi, Xue-Song; Bu, Xian-He; Ribas, Joan","Tuning the topologies of MnII complexes with 3-(2-pyridyl)pyrazole and carboxylate ligands by intramolecular hydrogen bonds and the geometries of pendant ligands: crystal structures and magnetic properties","CrystEngComm","2005","7","118","722","","10.1039/b513269j","","","0.71073","MoKα","","0.0682","0.036","","","0.0886","0.0984","","","","","","1.035","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238138","8.6036","0.001","12.7431","0.0015","14.4016","0.0016","90","","90","","90","","1578.9","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H5 Cl2 N O -","- C7 H5 Cl2 N O -","- C56 H40 Cl16 N8 O8 -","8","1","","Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P.","Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder","CrystEngComm","2005","7","114","690","","10.1039/b513882e","","","0.71073","MoKα","","0.0468","0.0309","","","0.0784","0.085","","","","","","1.045","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238139","4.3539","0.0008","13.406","0.003","14.073","0.003","90","","92.616","0.004","90","","820.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H5 Cl2 N O -","- C7 H5 Cl2 N O -","- C28 H20 Cl8 N4 O4 -","4","1","","Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P.","Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder","CrystEngComm","2005","7","114","690","","10.1039/b513882e","","","0.71073","MoKα","","0.0646","0.0485","","","0.1443","0.1573","","","","","","0.974","","","","has coordinates","301866","2025-08-22","21:38:34",""
"7238140","8.4446","0.0002","12.9028","0.0003","14.4186","0.0003","90","","90","","90","","1571.04","0.06","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2,6-chloromethyl-N-phenylformamide","","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C64 H64 Cl8 N8 O8 -","8","1","","Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P.","Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder","CrystEngComm","2005","7","114","690","","10.1039/b513882e","","","0.71073","MoKα","","0.0454","0.0405","","","0.1049","0.1086","","","","","","1.06","","","","has coordinates,has disorder","301866","2025-08-22","21:38:34",""
"7238141","13.498","0.003","4.3186","0.001","14.938","0.003","90","","111.365","0.004","90","","810.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","2,6-chloromethyl-N-phenylformamide","","","- C8 H8 Cl N O -","- C8 H8 Cl N O -","- C32 H32 Cl4 N4 O4 -","4","1","","Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P.","Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder","CrystEngComm","2005","7","114","690","","10.1039/b513882e","","","0.71073","MoKα","","0.0506","0.0395","","","0.1021","0.1111","","","","","","1.053","","","","has coordinates,has disorder","301866","2025-08-22","21:38:34",""
"7238142","4.5023","0.0004","8.5886","0.0008","21.297","0.002","90","","90","","90","","823.52","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2,6-dimethyl-N-phenylformamide","","","- C9 H11 N O -","- C9 H11 N O -","- C36 H44 N4 O4 -","4","1","","Omondi, B.; Fernandes, M. A.; Layh, M.; Levendis, D. C.; Look, J. L.; Mkwizu, T. S. P.","Polymorphism and phase transformations in 2,6-disubstituted N-phenylformamides: the influence of hydrogen bonding, chloro-methyl exchange, intermolecular interactions and disorder","CrystEngComm","2005","7","114","690","","10.1039/b513882e","","","0.71073","MoKα","","0.0348","0.031","","","0.1001","0.1074","","","","","","0.664","","","","has coordinates","301866","2025-08-22","21:38:34",""
"8000227","10.73807","0.00019","18.8417","0.0003","27.9758","0.0005","90","","90","","90","","5660.16","0.17","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C66 H78 O6 -","- C66 H78 O6 -","- C264 H312 O24 -","4","1","","Kosaka, Tomoyo; Inoue, Yoshihisa; Mori, Tadashi","Toroidal Interaction and Propeller Chirality of Hexaarylbenzenes. Dynamic Domino Inversion Revealed by Combined Experimental and Theoretical Circular Dichroism Studies.","The journal of physical chemistry letters","2016","7","5","783","788","10.1021/acs.jpclett.6b00179","","","1.54187","CuKα","","","0.0661","","","","0.1876","","","","","","1.055","","","","has coordinates","301880","2025-08-22","23:45:41",""
"8000228","14.5496","0.0009","25.3475","0.0014","10.4535","0.0007","90","","100.915","0.003","90","","3785.5","0.4","123","","123","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C48 H42 O6 -","- C48 H42 O6 -","- C192 H168 O24 -","4","1","","Kosaka, Tomoyo; Inoue, Yoshihisa; Mori, Tadashi","Toroidal Interaction and Propeller Chirality of Hexaarylbenzenes. Dynamic Domino Inversion Revealed by Combined Experimental and Theoretical Circular Dichroism Studies.","The journal of physical chemistry letters","2016","7","5","783","788","10.1021/acs.jpclett.6b00179","","","1.54187","CuKα","","0.218","0.064","","","0.121","0.1767","","","","","","0.846","","","","has coordinates","301880","2025-08-22","23:45:41",""
"8000231","22.9575","0.0012","13.5678","0.0007","10.0581","0.0005","90","","90","","90","","3132.9","0.3","90","","90","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C37 H39 N2 O2 -","- C37 H39 N2 O2 -","- C148 H156 N8 O8 -","4","1","","Kobayashi, Yoichi; Shima, Kentaro; Mutoh, Katsuya; Abe, Jiro","Fast Photochromism Involving Thermally-Activated Valence Isomerization of Phenoxyl-Imidazolyl Radical Complex Derivatives.","The journal of physical chemistry letters","2016","7","16","3067","3072","10.1021/acs.jpclett.6b01271","","","0.71073","MoKα","","0.0553","0.0486","","","0.1231","0.128","","","","","","0.99","","","","has coordinates,has disorder","186255","2020-10-21","18:00:00",""
"8000232","14.2277","0.0006","17.004","0.0009","17.1275","0.0006","95.533","0.002","91.1547","0.0014","104.605","0.002","3986.8","0.3","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H51.42 N2 O -","- C51 H51.4255 N2 O -","- C204 H205.702 N8 O4 -","4","2","","Kobayashi, Yoichi; Shima, Kentaro; Mutoh, Katsuya; Abe, Jiro","Fast Photochromism Involving Thermally-Activated Valence Isomerization of Phenoxyl-Imidazolyl Radical Complex Derivatives.","The journal of physical chemistry letters","2016","7","16","3067","3072","10.1021/acs.jpclett.6b01271","","","0.71073","MoKα","","0.0875","0.0609","","","0.1584","0.178","","","","","","1.03","","","","has coordinates,has disorder","186255","2020-10-21","18:00:00",""
"8000233","8.8117","0.0008","8.8117","0.0008","12.674","0.002","90","","90","","90","","984.1","0.2","180","2","180","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- I6 N8 Pb2 -","- I6 N8 Pb2 -","- I12 N16 Pb4 -","2","0.0625","","G, Sharada; Mahale, Pratibha; Kore, Bhushan P.; Mukherjee, Somdutta; Pavan, Mysore S.; De, Chandan; Ghara, Somnath; Sundaresan, A.; Pandey, Anshu; Guru Row, Tayur N.; Sarma, D. D.","Is CH3NH3PbI3 Polar?","The journal of physical chemistry letters","2016","7","13","2412","2419","10.1021/acs.jpclett.6b00803","","","0.71073","MoKα","","0.0684","0.0612","","","0.1898","0.1962","","","","","","0.972","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000234","8.8767","0.0009","12.64","0.0014","8.5879","0.001","90","","90","","90","","963.58","0.18","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C H6 I3 N Pb -","- C H6 I3 N Pb -","- C4 H24 I12 N4 Pb4 -","4","0.5","","G, Sharada; Mahale, Pratibha; Kore, Bhushan P.; Mukherjee, Somdutta; Pavan, Mysore S.; De, Chandan; Ghara, Somnath; Sundaresan, A.; Pandey, Anshu; Guru Row, Tayur N.; Sarma, D. D.","Is CH3NH3PbI3 Polar?","The journal of physical chemistry letters","2016","7","13","2412","2419","10.1021/acs.jpclett.6b00803","","","0.71073","MoKα","","0.0918","0.0688","","","0.2354","0.2437","","","","","","1.068","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000349","6.6764","0.001","13.184","0.003","17.361","0.003","73.665","0.009","83.571","0.01","83.54","0.01","1452","0.5","383","2","383","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H86 O6 -","- C60 H86 O6 -","- C60 H86 O6 -","1","0.5","","Roy, Syamantak; Hazra, Arpan; Bandyopadhyay, Arkamita; Raut, Devraj; Madhuri, P. Lakshmi; Rao, D. S. Shankar; Ramamurty, Upadrasta; Pati, Swapan Kumar; Krishna Prasad, S.; Maji, Tapas Kumar","Reversible Polymorphism, Liquid Crystallinity, and Stimuli-Responsive Luminescence in a Bola-amphiphilic π-System: Structure-Property Correlations Through Nanoindentation and DFT Calculations.","The journal of physical chemistry letters","2016","7","20","4086","4092","10.1021/acs.jpclett.6b01891","","","0.71073","MoKα","","0.4051","0.137","","","0.2264","0.3438","","","","","","1.018","","","","has coordinates","301880","2025-08-22","23:45:42",""
"8000350","7.1245","0.0003","12.6264","0.0006","16.7681","0.001","101.132","0.002","101.941","0.002","103.882","0.002","1385.09","0.12","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H86 O6 -","- C60 H86 O6 -","- C60 H86 O6 -","1","0.5","","Roy, Syamantak; Hazra, Arpan; Bandyopadhyay, Arkamita; Raut, Devraj; Madhuri, P. Lakshmi; Rao, D. S. Shankar; Ramamurty, Upadrasta; Pati, Swapan Kumar; Krishna Prasad, S.; Maji, Tapas Kumar","Reversible Polymorphism, Liquid Crystallinity, and Stimuli-Responsive Luminescence in a Bola-amphiphilic π-System: Structure-Property Correlations Through Nanoindentation and DFT Calculations.","The journal of physical chemistry letters","2016","7","20","4086","4092","10.1021/acs.jpclett.6b01891","","","0.71073","MoKα","","0.1568","0.0668","","","0.1798","0.2436","","","","","","1.017","","","","has coordinates","301880","2025-08-22","23:45:42",""
"8000351","5.6873","0.0004","11.0563","0.0009","21.3282","0.0017","76.848","0.002","83.218","0.002","89.785","0.003","1296.44","0.17","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H86 O6 -","- C60 H86 O6 -","- C60 H86 O6 -","1","0.5","","Roy, Syamantak; Hazra, Arpan; Bandyopadhyay, Arkamita; Raut, Devraj; Madhuri, P. Lakshmi; Rao, D. S. Shankar; Ramamurty, Upadrasta; Pati, Swapan Kumar; Krishna Prasad, S.; Maji, Tapas Kumar","Reversible Polymorphism, Liquid Crystallinity, and Stimuli-Responsive Luminescence in a Bola-amphiphilic π-System: Structure-Property Correlations Through Nanoindentation and DFT Calculations.","The journal of physical chemistry letters","2016","7","20","4086","4092","10.1021/acs.jpclett.6b01891","","","0.71073","MoKα","","0.0985","0.0542","","","0.1465","0.2084","","","","","","1.067","","","","has coordinates","301880","2025-08-22","23:45:42",""
"8000352","8.1868","0.0007","8.2071","0.0007","29.482","0.003","84.999","0.007","84.042","0.006","63.879","0.005","1767.1","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H51 B Cl Co N9 O3 -","- C31 H51 B Cl Co N9 O3 -","- C62 H102 B2 Cl2 Co2 N18 O6 -","2","1","","Pavlov, Alexander A.; Nelyubina, Yulia V.; Kats, Svitlana V.; Penkova, Larysa V.; Efimov, Nikolay N.; Dmitrienko, Artem O.; Vologzhanina, Anna V.; Belov, Alexander S.; Voloshin, Yan Z.; Novikov, Valentin V.","Polymorphism in a Cobalt-Based Single-Ion Magnet Tuning Its Barrier to Magnetization Relaxation.","The journal of physical chemistry letters","2016","7","20","4111","4116","10.1021/acs.jpclett.6b02091","","","1.54178","CuKα","","0.1516","0.1451","","","0.3514","0.3567","","","","","","2.465","","","","has coordinates","301880","2025-08-22","23:45:42",""
"8000353","32.44","0.007","8.0312","0.0016","13.936","0.003","90","","90.734","0.004","90","","3630.5","1.3","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H51 B Cl Co N9 O3 -","- C31 H51 B Cl Co N9 O3 -","- C124 H204 B4 Cl4 Co4 N36 O12 -","4","1","","Pavlov, Alexander A.; Nelyubina, Yulia V.; Kats, Svitlana V.; Penkova, Larysa V.; Efimov, Nikolay N.; Dmitrienko, Artem O.; Vologzhanina, Anna V.; Belov, Alexander S.; Voloshin, Yan Z.; Novikov, Valentin V.","Polymorphism in a Cobalt-Based Single-Ion Magnet Tuning Its Barrier to Magnetization Relaxation.","The journal of physical chemistry letters","2016","7","20","4111","4116","10.1021/acs.jpclett.6b02091","","","0.71073","MoKα","","0.0989","0.0753","","","0.1816","0.1975","","","","","","1.012","","","","has coordinates","301880","2025-08-22","23:45:42",""
"8000354","4.266","0.005","13.533","0.005","19.669","0.005","90","0.005","90","0.005","90","0.005","1135.5","1.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 Br -","- C16 H9 Br -","- C64 H36 Br4 -","4","1","","Philip, Abbey M.; Mallia, Ajith R.; Hariharan, Mahesh","Prolonged Charge Separated States in Twisted Stacks of All-Carbon Donor and Acceptor Chromophores.","The journal of physical chemistry letters","2016","7","22","4751","4756","10.1021/acs.jpclett.6b02310","","","0.71073","MoKα","","0.0591","0.0379","","","0.0744","0.0851","","","","","","1.1","","","","has coordinates","236650","2020-10-21","18:00:00",""
"8000355","30.4984","0.0011","3.9613","0.0002","16.2415","0.0006","90","","92.412","0.003","90","","1960.45","0.14","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C32 H18 -","- C32 H18 -","- C128 H72 -","4","1","","Philip, Abbey M.; Mallia, Ajith R.; Hariharan, Mahesh","Prolonged Charge Separated States in Twisted Stacks of All-Carbon Donor and Acceptor Chromophores.","The journal of physical chemistry letters","2016","7","22","4751","4756","10.1021/acs.jpclett.6b02310","","","0.71073","MoKα","","0.1065","0.0489","","","0.1106","0.1373","","","","","","1.011","","","","has coordinates","301880","2025-08-22","23:45:42",""
"9004059","12.28","","3.6","","8","","90","","96.25","","90","","351.562","","","","","","","","","","","","Paradox Valley, Montrose County, Coldrado,USA","3","P 1 21/m 1","-P 2yb","11","","","Metahewettite","- Na O8 V3 -","- Na O8 V3 -","- Na2 O16 V6 -","2","0.5","","Bachmann, H. G.; Barnes, W. H.","The crystal structure of a sodium-calcium variety of metahewettite Sample: anhydrous","The Canadian Mineralogist","1962","7","","219","235","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004060","12.26","","3.58","","8.11","","90","","92.5","","90","","355.616","","","","","","","","","","","","Paradox Valley, Montrose County, Coldrado,USA","5","P 1 21 1","P 2yb","4","","","Barnesite","- Ca0.25 H0.54 Na0.5 O9 V3 -","- Ca0.25 H2 Na0.5 O9 V3 -","- Ca0.5 H4 Na O18 V6 -","2","1","","Bachmann, H. G.; Barnes, W. H.","The crystal structure of a sodium-calcium variety of metahewettite Sample: hydrated","The Canadian Mineralogist","1962","7","","219","235","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9004061","7.4","","5.84","","9.21","","90","","90","","90","","398.019","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","Conichalcite","- As Ca Cu H O5 -","- As Ca Cu H O5 -","- As4 Ca4 Cu4 H4 O20 -","4","1","","Qurashi, M. M.; Barnes, W. H.","The structures of the minerals of the descloizite and adelite groups: IV - descloizite and conichalcite (part 2) The structure of conichalcite","The Canadian Mineralogist","1963","7","","561","577","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9004062","8.534","","8.556","","7.015","","101.53","","114.97","","103.38","","425.242","","","","","","","","","","","","","3","P -1","-P 1","2","","","Rossite","- Ca O10 V2 -","- Ca O10 V2 -","- Ca2 O20 V4 -","2","1","","Ahmed, F. R.; Barnes, W. H.","The crystal structure of rossite","The Canadian Mineralogist","1963","7","","713","726","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:32",""
"9005234","9.678","","8.836","","5.257","","90","","106.9","","90","","430.137","","","","","","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.25 Ca0.645 Cr0.044 Fe0.112 Mg0.957 Mn0.002 Na0.094 O6 Si1.888 Ti0.008 -","- Al0.25 Ca0.645 Cr0.044 Fe0.112 Mg0.957 Mn0.002 Na0.094 O6 Si1.888 Ti0.008 -","- Al Ca2.58 Cr0.176 Fe0.448 Mg3.828 Mn0.008 Na0.376 O24 Si7.552 Ti0.032 -","4","0.5","","Comodi, P.; Princivalle, F.; Tirone, M.; Zanazzi, P. F.","Comparative compressibility of clinopyroxenes from mantle nodules Sample: PC135 at room conditions","European Journal of Mineralogy","1995","7","","141","149","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005235","9.702","","8.878","","5.252","","90","","106.2","","90","","434.415","","","","","","","","","","","","","10","C 1 2/c 1","-C 2yc","15","","","Diopside","- Al0.121 Ca0.828 Cr0.023 Fe0.072 Mg0.89 Mn0.001 Na0.102 O6 Si1.962 Ti0.002 -","- Al0.121 Ca0.828 Cr0.023 Fe0.072 Mg0.89 Mn0.001 Na0.102 O6 Si1.962 Ti0.002 -","- Al0.484 Ca3.312 Cr0.092 Fe0.288 Mg3.56 Mn0.004 Na0.408 O24 Si7.848 Ti0.008 -","4","0.5","","Comodi, P.; Princivalle, F.; Tirone, M.; Zanazzi, P. F.","Comparative compressibility of clinopyroxenes from mantle nodules Sample: 3211 at room conditions","European Journal of Mineralogy","1995","7","","141","149","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005236","11.91","","20.4","","4.73","","90","","90","","90","","1149.22","","","","","","","","","","","","","9","P m c n","-P 2n 2a","62","","","Magnesiodumortierite","- Al5.22 B Fe0.01 H2.96 Mg0.99 O18 P0.02 Si2.88 Ti0.19 -","- Al5.22 B Fe0.01 H2.96 Mg0.99 O18 P0.02 Si2.88 Ti0.19 -","- Al20.88 B4 Fe0.04 H11.84 Mg3.96 O72 P0.08 Si11.52 Ti0.76 -","4","0.5","","Ferraris, G.; Ivaldi, G.; Chopin, C.","Magnesiodumortierite, a new mineral from very-high-pressure rocks (Western Alps). Part I: Crystal structure","European Journal of Mineralogy","1995","7","","167","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005237","12.005","","12.675","","6.546","","90","","114.55","","90","","906.017","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","Alluaudite","- Ca0.98 Cd0.946 Mg2 Na1.074 O12 P3 -","- Ca0.98 Cd0.946 Mg2 Na1.074 O12 P3 -","- Ca3.92 Cd3.784 Mg8 Na4.296 O48 P12 -","4","0.5","","Antenucci, D.; Fransolet, A. M.; Miehe, G.; Tarte, P.","Synthese et cristallochimie de NaCaCdMg2(PO4)3, Phosphate nouveau a structure alluaudite sans cation trivalent Note: P2 y-coordinate changed to reproduce bond lengths","European Journal of Mineralogy","1995","7","","175","181","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005238","10.058","","10.058","","14.336","","90","","90","","120","","1255.98","","","","","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","Osumilite","- Al4.2 Ba0.09 Mg2 O30 Si10.8 -","- Al4.2 Ba0.09 Mg2 O30 Si10.8 -","- Al8.4 Ba0.18 Mg4 O60 Si21.6 -","2","0.0833333","","Winter, W.; Armbruster, T.; Lengauer, C.","Crystal structure refinement of synthetic osumilite-type phases: BaMg2Al6Si9O30, SrMg2Al6Si9O30 and Mg2Al4Si11O30 Sample: MAS, Mg2Al4Si11O30","European Journal of Mineralogy","1995","7","","277","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005239","10.129","","10.129","","14.34","","90","","90","","120","","1274.13","","","","","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","Osumilite","- Al6 Ba Mg2 O30 Si9 -","- Al6 Ba Mg2 O30 Si9 -","- Al12 Ba2 Mg4 O60 Si18 -","2","0.0833333","","Winter, W.; Armbruster, T.; Lengauer, C.","Crystal structure refinement of synthetic osumilite-type phases: BaMg2Al6Si9O30, SrMg2Al6Si9O30 and Mg2Al4Si11O30 Sample: CBa, BaMg2Al6Si9O30","European Journal of Mineralogy","1995","7","","277","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005240","10.1273","","10.1273","","14.2274","","90","","90","","120","","1263.7","","","","","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","","Osumilite","- Al5.82 Mg2 O30 Si9.18 Sr0.91 -","- Al5.82 Mg2 O30 Si9.18 Sr0.91 -","- Al11.64 Mg4 O60 Si18.36 Sr1.82 -","2","0.0833333","","Winter, W.; Armbruster, T.; Lengauer, C.","Crystal structure refinement of synthetic osumilite-type phases: BaMg2Al6Si9O30, SrMg2Al6Si9O30 and Mg2Al4Si11O30 Sample: CSr, SrMg2Al6Si9O30","European Journal of Mineralogy","1995","7","","277","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005241","8.66","","13.102","","7.229","","90","","116.06","","90","","736.838","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","Sanidine","- Ga K O8 Si3 -","- Ga K O8 Si3 -","- Ga4 K4 O32 Si12 -","4","0.5","","Kimata, M.; Saito, S.; Shimizu, M.","Structure of sanidine-type KGaSi3O8: Tetrahedral-site disordering in potassium feldspar","European Journal of Mineralogy","1995","7","","287","293","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005242","18.109","","20.485","","7.523","","90","","90","","90","","2790.75","","","","","","","","","","","","Ponza, Italy","7","C m c m","-C 2c 2","63","","","Mordenite","- Al2.04 Ca0.4 H22 K0.66 Na0.56 O30.94 Si9.96 -","- Al2.04 Ca0.4 H13.88 K0.66 Na0.56 O30.94 Si9.96 -","- Al8.16 Ca1.6 H55.52 K2.64 Na2.24 O123.76 Si39.84 -","4","0.25","","Passaglia, E.; Artioli, G.; Gualtieri, A.; Carnevali, R.","Diagenetic mordenite from Ponza, Italy","European Journal of Mineralogy","1995","7","","429","438","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005243","7.393","","8.711","","17.58","","103.81","","91.81","","109.51","","1028.62","","","","","","","","","","","","","4","P -1","-P 1","2","","","Jankovicite","- As1.467 S11 Sb5.033 Tl2.5 -","- As1.46667 S11 Sb5.03333 Tl2.5 -","- As2.93334 S22 Sb10.0667 Tl5 -","2","1","","Libowitzky, E.; Giester, G.; Tillmanns, E.","The crystal structure of jankovicite, Tl5Sb9(As,Sb)4S22","European Journal of Mineralogy","1995","7","","479","487","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005244","18.347","","18.561","","6.587","","90","","90","","90","","2243.13","","","","","","","","","","","","","5","F d d 2","F 2 -2d","43","","","Natrolite","- Al1.927 H4 Na2 O12 Si3.073 -","- Al1.927 H4 Na2 O12 Si3.073 -","- Al15.416 H32 Na16 O96 Si24.584 -","8","0.5","","Alberti, A.; Cruciani, G.; Dauru, I.","Order-disorder in natrolite-group minerals","European Journal of Mineralogy","1995","7","","501","508","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:37",""
"9005245","9.404","","9.404","","7.636","","90","","90","","120","","584.819","","","","","","","","","","","","Moctezuma Mine, Moctezuma, Sonora, Mexico","7","P 63/m","-P 6c","176","","","Zemannite","- Fe1.1 H24 Mg0.45 Mn0.08 O13.08 Te3 Zn0.82 -","- Fe1.1 H8.16 Mg0.45 Mn0.08 O13.08 Te3 Zn0.82 -","- Fe2.2 H16.32 Mg0.9 Mn0.16 O26.16 Te6 Zn1.64 -","2","0.166667","","Miletich, F.","Crystal chemistry of the microporous tellurite minerals zemannite and kinichilite, Mg0.5[MeFe(TeO3)3].4.5H2O, (Me=Zn;Mn) Note: sample moc6","European Journal of Mineralogy","1995","7","","509","523","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005246","9.42","","9.42","","7.657","","90","","90","","120","","588.425","","","","","","","","","","","","Bambolla Mine, Moctezuma, Sonora, Mexico","7","P 63/m","-P 6c","176","","","Zemannite","- Fe0.98 H24 Mg0.51 Mn0.18 O13.5 Te3 Zn0.84 -","- Fe0.98 H9 Mg0.51 Mn0.18 O13.5 Te3 Zn0.84 -","- Fe1.96 H18 Mg1.02 Mn0.36 O27 Te6 Zn1.68 -","2","0.166667","","Miletich, F.","Crystal chemistry of the microporous tellurite minerals zemannite and kinichilite, Mg0.5[MeFe(TeO3)3].4.5H2O, (Me=Zn;Mn) Note: sample bam6","European Journal of Mineralogy","1995","7","","509","523","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005247","9.451","","9.451","","7.687","","90","","90","","120","","594.625","","","","","","","","","","","","Kawazu Mine, Rendaiji, Shimoda City, Shizuoka Prefecture, Japan","7","P 63/m","-P 6c","176","","","Kinichilite","- Fe0.98 H24 Mg0.51 Mn0.48 O13.5 Te3 Zn0.54 -","- Fe0.98 H9 Mg0.51 Mn0.48 O13.5 Te3 Zn0.54 -","- Fe1.96 H18 Mg1.02 Mn0.96 O27 Te6 Zn1.08 -","2","0.166667","","Miletich, F.","Crystal chemistry of the microporous tellurite minerals zemannite and kinichilite, Mg0.5[MeFe(TeO3)3].4.5H2O, (Me=Zn;Mn) Note: sample kaw4","European Journal of Mineralogy","1995","7","","509","523","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005248","10.363","","16.31","","9.132","","90","","105.34","","90","","1488.51","","","","293.15","","","","","","","","Kola Peninsula, Russia","7","C 1 2/m 1","-C 2y","12","","","Altisite","- Al2 Cl3 K5.5 Na3.5 O26 Si8 Ti2 -","- Al2 Cl3 K5.5 Na3.5 O26 Si8 Ti2 -","- Al4 Cl6 K11 Na7 O52 Si16 Ti4 -","2","0.25","","Ferraris, G.; Ivaldi, G.; Khomyakov, A. P.","Altisite Na3K6Ti2[Al2Si8O26]Cl3 a new hyperalkaline aluminosilicate from Kola Peninsula (Russia) related to lemoynite: crystal structure and thermal evolution Sample: RT, T = 20 C, before heating","European Journal of Mineralogy","1995","7","","537","546","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005249","10.423","","16.333","","9.16","","90","","105.62","","90","","1501.8","","","","973.15","","","","","","","","Kola Peninsula, Russia","7","C 1 2/m 1","-C 2y","12","","","Altisite","- Al2 Cl3 K5.5 Na3.5 O26 Si8 Ti2 -","- Al2 Cl3 K5.5 Na3.5 O26 Si8 Ti2 -","- Al4 Cl6 K11 Na7 O52 Si16 Ti4 -","2","0.25","","Ferraris, G.; Ivaldi, G.; Khomyakov, A. P.","Altisite Na3K6Ti2[Al2Si8O26]Cl3 a new hyperalkaline aluminosilicate from Kola Peninsula (Russia) related to lemoynite: crystal structure and thermal evolution Sample: HT, T = 700 C","European Journal of Mineralogy","1995","7","","537","546","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005250","10.337","","16.257","","9.099","","90","","105.49","","90","","1473.53","","","","293.15","","","","","","","","Kola Peninsula, Russia","7","C 1 2/m 1","-C 2y","12","","","Altisite","- Al2 Cl3 K5.5 Na3.5 O26 Si8 Ti2 -","- Al2 Cl3 K5.5 Na3.5 O26 Si8 Ti2 -","- Al4 Cl6 K11 Na7 O52 Si16 Ti4 -","2","0.25","","Ferraris, G.; Ivaldi, G.; Khomyakov, A. P.","Altisite Na3K6Ti2[Al2Si8O26]Cl3 a new hyperalkaline aluminosilicate from Kola Peninsula (Russia) related to lemoynite: crystal structure and thermal evolution Sample: RT', T = 20 C, after heating","European Journal of Mineralogy","1995","7","","537","546","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005251","11.841","","9.553","","9.942","","90","","94.87","","90","","1120.55","","","","","","","","","","","","Lavrion Mining District, Greece","5","C 1 2/m 1","-C 2y","12","","","Mereiterite","- Fe H8 K2 O12 S2 -","- Fe H8 K2 O12 S2 -","- Fe4 H32 K8 O48 S8 -","4","0.5","","Giester, G.; Rieck, B.","Mereiterite, K2Fe[SO4]2.4H2O, a new leonite-type mineral from the Lavrion Mining District, Greece","European Journal of Mineralogy","1995","7","","559","566","","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:44",""
"9005252","4.699","","5.817","","4.887","","91.33","","92.08","","83.9","","132.713","","","","","","","","","","","","","4","P -1","-P 1","2","","","Cuproscheelite","- Cu0.7 O4 W Zn0.3 -","- Cu0.7 O4 W Zn0.3 -","- Cu1.4 O8 W2 Zn0.6 -","2","1","","Redfern, S. A. T.; Bell, A. M. T.; Henderson, M. B.; Schofield, P. F.","Rietveld study of the structural phase transition in the sanmartinite (ZnWO4)- cuproscheelite (CuWO4) solid solution Sample: Cu.7Zn.3WO4","European Journal of Mineralogy","1995","7","","1019","1028","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005253","4.689","","5.77","","4.899","","90.84","","91.52","","85.87","","132.144","","","","","","","","","","","","","4","P -1","-P 1","2","","","Sanmartinite","- Cu0.45 O4 W Zn0.55 -","- Cu0.45 O4 W Zn0.55 -","- Cu0.9 O8 W2 Zn1.1 -","2","1","","Redfern, S. A. T.; Bell, A. M. T.; Henderson, M. B.; Schofield, P. F.","Rietveld study of the structural phase transition in the sanmartinite (ZnWO4)- cuproscheelite (CuWO4) solid solution Sample: x=0.55","European Journal of Mineralogy","1995","7","","1019","1028","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005254","4.687","","5.726","","4.92","","90","","90.85","","90","","132.027","","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","Sanmartinite","- Cu0.15 O4 W Zn0.85 -","- Cu0.15 O4 W Zn0.85 -","- Cu0.3 O8 W2 Zn1.7 -","2","0.5","","Redfern, S. A. T.; Bell, A. M. T.; Henderson, M. B.; Schofield, P. F.","Rietveld study of the structural phase transition in the sanmartinite (ZnWO4)- cuproscheelite (CuWO4) solid solution Sample: x=0.85","European Journal of Mineralogy","1995","7","","1019","1028","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005255","9.81","","18.091","","5.294","","90","","104.58","","90","","909.285","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Tremolite","- Al0.83 Ca1.67 F0.027 Fe1.4 H1.973 K0.04 Mg3.65 Mn0.03 Na0.15 O23.973 Si7.38 -","- Al0.83 Ca1.67 F0.027 Fe1.4 H1.973 K0.04 Mg3.65 Mn0.03 Na0.15 O23.973 Si7.38 -","- Al1.66 Ca3.34 F0.054 Fe2.8 H3.946 K0.08 Mg7.3 Mn0.06 Na0.3 O47.946 Si14.76 -","2","0.25","","Oberti, R.; Ungaretti, L.; Cannillo, E.; Hawthorne, F. C.; Memmi, I.","Temperature-dependent Al order-disorder in the tetrahedral double chain of C2/m amphiboles Sample: S(1)","European Journal of Mineralogy","1995","7","","1049","1063","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9005256","9.856","","18.078","","5.311","","90","","104.85","","90","","914.691","","","","","","","","","","","","","12","C 1 2/m 1","-C 2y","12","","","Magnesiohornblende","- Al1.33 Ca1.81 F0.047 Fe1.63 H1.953 K0.13 Mg3.14 Mn0.02 Na0.28 O23.953 Si6.92 Ti0.15 -","- Al1.33 Ca1.81 F0.047 Fe1.63 H1.953 K0.13 Mg3.14 Mn0.02 Na0.28 O23.953 Si6.92 Ti0.15 -","- Al2.66 Ca3.62 F0.094 Fe3.26 H3.906 K0.26 Mg6.28 Mn0.04 Na0.56 O47.906 Si13.84 Ti0.3 -","2","0.25","","Oberti, R.; Ungaretti, L.; Cannillo, E.; Hawthorne, F. C.; Memmi, I.","Temperature-dependent Al order-disorder in the tetrahedral double chain of C2/m amphiboles Sample: S(3)","European Journal of Mineralogy","1995","7","","1049","1063","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005257","9.869","","18.058","","5.32","","90","","105.03","","90","","915.666","","","","","","","","","","","","","12","C 1 2/m 1","-C 2y","12","","","Pargasite","- Al0.86 Ca1.85 F0.042 Fe1.55 H1.958 K0.1 Mg2.98 Mn0.02 Na0.43 O23.958 Si7.49 Ti0.21 -","- Al0.86 Ca1.85 F0.042 Fe1.55 H1.958 K0.1 Mg2.98 Mn0.02 Na0.43 O23.958 Si7.49 Ti0.21 -","- Al1.72 Ca3.7 F0.084 Fe3.1 H3.916 K0.2 Mg5.96 Mn0.04 Na0.86 O47.916 Si14.98 Ti0.42 -","2","0.25","","Oberti, R.; Ungaretti, L.; Cannillo, E.; Hawthorne, F. C.; Memmi, I.","Temperature-dependent Al order-disorder in the tetrahedral double chain of C2/m amphiboles Sample: S(5)","European Journal of Mineralogy","1995","7","","1049","1063","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005258","9.867","","18.044","","5.318","","90","","105.06","","90","","914.298","","","","","","","","","","","","","14","C 1 2/m 1","-C 2y","12","","","Pargasite","- Al0.97 Ca1.84 F0.028 Fe1.57 H1.972 K0.1 Mg2.97 Mn0.02 Na0.45 Ni0.01 O23.972 Si7.4 Ti0.21 Zn0.01 -","- Al0.97 Ca1.84 F0.028 Fe1.57 H1.972 K0.1 Mg2.97 Mn0.02 Na0.45 Ni0.01 O23.972 Si7.4 Ti0.21 Zn0.01 -","- Al1.94 Ca3.68 F0.056 Fe3.14 H3.944 K0.2 Mg5.94 Mn0.04 Na0.9 Ni0.02 O47.944 Si14.8 Ti0.42 Zn0.02 -","2","0.25","","Oberti, R.; Ungaretti, L.; Cannillo, E.; Hawthorne, F. C.; Memmi, I.","Temperature-dependent Al order-disorder in the tetrahedral double chain of C2/m amphiboles Sample: S(6) Note: O(5) y-coordinate changed to reproduce reported bond lengths","European Journal of Mineralogy","1995","7","","1049","1063","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005259","9.87","","18.046","","5.318","","90","","105.04","","90","","914.764","","","","","","","","","","","","","12","C 1 2/m 1","-C 2y","12","","","Pargasite","- Al0.99 Ca1.83 F0.042 Fe1.45 H1.958 K0.1 Mg3.06 Mn0.02 Na0.47 O23.958 Si7.31 Ti0.33 -","- Al0.99 Ca1.83 F0.042 Fe1.45 H1.958 K0.1 Mg3.06 Mn0.02 Na0.47 O23.958 Si7.31 Ti0.33 -","- Al1.98 Ca3.66 F0.084 Fe2.9 H3.916 K0.2 Mg6.12 Mn0.04 Na0.94 O47.916 Si14.62 Ti0.66 -","2","0.25","","Oberti, R.; Ungaretti, L.; Cannillo, E.; Hawthorne, F. C.; Memmi, I.","Temperature-dependent Al order-disorder in the tetrahedral double chain of C2/m amphiboles Sample: S(7)","European Journal of Mineralogy","1995","7","","1049","1063","","","","","","","","","","","","","","","","","","","","","","has coordinates","284046","2023-05-28","13:40:50",""
"9005260","12.34","","12.34","","12.34","","90","","90","","90","","1879.08","","","","","","","","","","","","Wessels mine, Kalahari manganese field, South Africa","7","I a -3 d","-I 4bd 2c 3","230","","","Andradite","- Al0.26 Ca3 Fe1.54 H5.4 Mn0.2 O12 Si1.65 -","- Al0.26 Ca3 Fe1.54 Mn0.2 O12 Si1.65 -","- Al2.08 Ca24 Fe12.32 Mn1.6 O96 Si13.2 -","8","0.0833333","","Armbruster, T.","Structure refinement of hydrous andradite, Ca3Fe1.54Mn0.02Al0.26(SiO4)1.65(O4H4)1.35, from the Wessels mine, Kalahari manganese field, South Africa Note: reported coordinates of Ca and Y-site made no sense, they have been changed Locality: Wessels mine, Kalahari manganese field, South Africa","European Journal of Mineralogy","1995","7","","1221","1225","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005261","5.492","","13.324","","20.685","","90","","90","","90","","1513.63","","","","","","","","","","","","","5","P b c m","-P 2c 2b","57","","","Orthowalpurgite","- As2 Bi4 H4 O16 U -","- As2 Bi4 H4 O16 U -","- As8 Bi16 H16 O64 U4 -","4","0.5","","Krause, W.; Effenberger, H.; Brandstatter, F.","Orthowalpurgite, (UO2)Bi4O4(AsO4)2.2H2O, a new mineral from the Black Forest, Germany Locality: Black Forest, Germany","European Journal of Mineralogy","1995","7","","1313","1324","","","","","","","","","","","","","","","","","","","","","","has coordinates","287555","2023-11-12","10:38:27",""
"9005262","8.197","","8.197","","7.312","","90","","90","","120","","425.478","","","","","","","","","","","","","6","P -3","-P 3","147","","","Sabelliite","- As2.4 Cu6 H6 O21 Sb0.42 Zn2.86 -","- As2.4 Cu6 H6 O21 Sb0.42 Zn2.86 -","- As2.4 Cu6 H6 O21 Sb0.42 Zn2.86 -","1","0.166667","","Olmi, F.; Sabelli, C.; Trosti-Ferroni R","The crystal structure of sabelliite","European Journal of Mineralogy","1995","7","","1331","1337","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005263","8.729","","31.326","","4.903","","90","","90","","90","","1340.7","","","","","","","","","","","","","6","P n a b","-P 2bc 2n","60","","","Chiavennite","- Be2 Ca H6 Mn O17 Si5 -","- Be2 Ca H6 Mn O17 Si5 -","- Be8 Ca4 H24 Mn4 O68 Si20 -","4","0.5","","Tazzoli, V.; Domeneghetti, M. C.; Mazzi, F.; Cannillo, E.","The crystal structure of chiavennite","European Journal of Mineralogy","1995","7","","1339","1334","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9005763","4.4036","","9.4286","","2.8459","","90","","90","","90","","118.161","","","","","","","","","","","","from the Ural Mts., USSR, associated with anatase","3","P b n m","-P 2c 2ab","62","","","Diaspore","- Al H O2 -","- Al H O2 -","- Al4 H4 O8 -","4","0.5","","Klug, A.; Farkas, L.","Structural investigations of polycrystalline diaspore samples by x-ray powder diffraction Note: sample #1","Physics and Chemistry of Minerals","1981","7","","138","140","10.1007/BF00308231","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9005764","4.4035","","9.4269","","2.8454","","90","","90","","90","","118.116","","","","","","","","","","","","from the Ural Mts., USSR, associated with anatase and rutile","3","P b n m","-P 2c 2ab","62","","","Diaspore","- Al H O2 -","- Al H O2 -","- Al4 H4 O8 -","4","0.5","","Klug, A.; Farkas, L.","Structural investigations of polycrystalline diaspore samples by x-ray powder diffraction Note: sample #2","Physics and Chemistry of Minerals","1981","7","","138","140","10.1007/BF00308231","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9005765","4.4027","","9.4273","","2.8464","","90","","90","","90","","118.141","","","","","","","","","","","","from Viet-Nam, associated with hematite, ilmenite and chamosite","3","P b n m","-P 2c 2ab","62","","","Diaspore","- Al H O2 -","- Al H O2 -","- Al4 H4 O8 -","4","0.5","","Klug, A.; Farkas, L.","Structural investigations of polycrystalline diaspore samples by x-ray powder diffraction Note: sample #3","Physics and Chemistry of Minerals","1981","7","","138","140","10.1007/BF00308231","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9005766","4.4043","","9.4296","","2.8465","","90","","90","","90","","118.217","","","","","","","","","","","","from Nezsa, Hungary, associated with kaolinite, anatase and goethite","3","P b n m","-P 2c 2ab","62","","","Diaspore","- Al H O2 -","- Al H O2 -","- Al4 H4 O8 -","4","0.5","","Klug, A.; Farkas, L.","Structural investigations of polycrystalline diaspore samples by x-ray powder diffraction Note: sample #4 Locality: from Nezsa, Hungary, associated with kaolinite, anatase and goethite","Physics and Chemistry of Minerals","1981","7","","138","140","10.1007/BF00308231","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9009688","9.478","","9.478","","9.478","","90","","90","","90","","851.432","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Carrollite","- Co2 Cu S4 -","- Co2 Cu S4 -","- Co16 Cu8 S32 -","8","0.0416667","","Williamson, D. P.; Grimes, N. W.","An X-ray diffraction investigation of sulphide spinels","Journal of Physics D: Applied Physics","1974","7","","1","6","10.1088/0022-3727/7/1/308","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009938","9.205","","9.205","","9.205","","90","","90","","90","","779.958","","","","","","","","","","","","Synthetic","4","I -4 3 m","I -4 2 3","217","","","Yeelimite","- Al6 Ca4 O16 S -","- Al6 Ca4 O16 S -","- Al12 Ca8 O32 S2 -","2","0.0416667","","Saalfeld, H.; Depmeier, W.","Silicon-free compounds with sodalite structure Note: Very short S-O bondlength of 1.26 angstroms","Kristall und Technik","1972","7","","229","233","10.1002/crat.19720070125","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33",""
"9010981","15.176","","5.63","","3.708","","90","","104.52","","90","","306.696","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","Kalicinite","- C K O3 -","- C K O3 -","- C4 K4 O12 -","4","1","","Nitta, I.; Tomiie, Y.; Koo, C. H.","On the relation among the results of various investigations on potassium bicarbonate, KHCO3","Acta Crystallographica","1954","7","1","140","141","10.1107/S0365110X54000400","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:09",""
"9010982","6.2","","4.06","","9.31","","90","","109.83","","90","","220.455","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- O3 S -","- O3 S -","- O12 S4 -","4","1","","Westrik, R.; MacGillavry, C. H.","The crystal structure of the asbestos-like form of sulphur trioxide","Acta Crystallographica","1954","7","","764","767","10.1107/S0365110X54002290","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011647","6.78","","6.78","","6.78","","90","","90","","90","","311.666","","","","46","","","","","","","","Synthetic","1","P m -3 n","-P 4n 2 3","223","Oxygen","","Oxygen","- O2 -","- O2 -","- O16 -","8","0.166667","","Cox, D. E.; Samuelsen, E. J.; Ceckurts, K. H.","Neutron-Diffraction determination of the crystal structure and magnetic form factor of gamma-oxygen Sample: at T = 46 K Note: gamma phase, stable between 44 K & 55 K","Physical Review B","1973","7","","3102","3111","10.1103/PhysRevB.7.3102","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011844","4.44","","4.44","","71.7","","90","","90","","120","","1224.1","","","","","","","","","","","","Synthetic","3","P -3 m 1","-P 3 2""","164","","","Kochkarite","- Bi3 Pb0.75 Te5.25 -","- Bi3 Pb0.75 Te5.25 -","- Bi12 Pb3 Te21 -","4","0.333333","","Talybov, A. G.; Vainshtein, B. K.","An electron diffraction study of the second superlattice in PbBi4Te7","Soviet Physics Crystallography","1962","7","","32","37","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012054","24.9686","","24.9686","","24.9686","","90","","90","","90","","15566.2","","","","","","","","","","","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Faujasite-Ca","- Al4.8 Ca2.705 O24 Si7.2 -","- Al4.8 Ca2.705 O24 Si7.2 -","- Al76.8 Ca43.28 O384 Si115.2 -","16","0.0833333","","Pluth, J. J.; Smith, J. V.","Positions of cations and molecules in zeolites with the faujasite-type framework VII. Dehydrated Ca-exchanged X Note: dehydrated under vacuum at 500 C, measured at room temperature","Materials Research Bulletin","1972","7","","1311","1322","10.1016/0025-5408(72)90111-0","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9012092","10.553","","18.199","","5.031","","90","","90","","90","","966.224","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Hopeite","- H8 O12 P2 Zn3 -","- H8 O12 P2 Zn3 -","- H32 O48 P8 Zn12 -","4","0.5","","Kawahara, A.; Takano, Y.; Takahashi, M.","The structure of hopeite","Mineralogical Journal","1973","7","","289","297","10.2465/minerj1953.7.289","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012119","11.854","","6.844","","11.424","","90","","90","","90","","926.815","","","","","","","","","","","","Synthetic","3","C 1 2/m 1","-C 2y","12","","","","- Fe S8 Ti4 -","- Fe S8 Ti4 -","- Fe4 S32 Ti16 -","4","0.5","","Takahashi, T.; Yamada, O.","Crystallographic and magnetic properties of the Cd(OH)2 layer structure compound TiS2 containing extra iron","Journal of Solid State Chemistry","1973","7","","25","30","10.1016/0022-4596(73)90116-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012120","5.937","","5.937","","11.466","","90","","90","","120","","350.007","","","","","","","","","","","","Synthetic","3","P -3 1 c","-P 3 2c","163","","","","- Fe S6 Ti3 -","- Fe S6 Ti3 -","- Fe2 S12 Ti6 -","2","0.166667","","Takahashi, T.; Yamada, O.","Crystallographic and magnetic properties of the Cd(OH)2 layer structure compound TiS2 containing extra iron","Journal of Solid State Chemistry","1973","7","","25","30","10.1016/0022-4596(73)90116-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012121","5.953","","3.437","","11.948","","90","","90.1","","90","","244.461","","","","","","","","","","","","Synthetic","3","I 1 2/m 1","-I 2y","12","","","Heideite","- Fe S4 Ti2 -","- Fe S4 Ti2 -","- Fe2 S8 Ti4 -","2","0.25","","Takahashi, T.; Yamada, O.","Crystallographic and magnetic properties of the Cd(OH)2 layer structure compound TiS2 containing extra iron","Journal of Solid State Chemistry","1973","7","","25","30","10.1016/0022-4596(73)90116-3","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012374","4.5912","","4.5912","","4.9355","","90","","90","","90","","104.036","","","","","","","","","","","","","1","I 4/m m m","-I 4 2","139","","","Indium","- In -","- In -","- In2 -","2","0.0625","","Smith, J. F.; Schneider, V. L.","Anisotropic thermal expansion of indium Sample: 99.9999% indium","Journal of the Less-Common Metals","1964","7","","17","22","10.1016/0022-5088(64)90013-X","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012375","4.5899","","4.5899","","4.9379","","90","","90","","90","","104.028","","","","","","","","","","","","","1","I 4/m m m","-I 4 2","139","","","Indium","- In -","- In -","- In2 -","2","0.0625","","Smith, J. F.; Schneider, V. L.","Anisotropic thermal expansion of indium Sample: 99.999% indium","Journal of the Less-Common Metals","1964","7","","17","22","10.1016/0022-5088(64)90013-X","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012376","4.5902","","4.5902","","4.9379","","90","","90","","90","","104.041","","","","","","","","","","","","","1","I 4/m m m","-I 4 2","139","","","Indium","- In -","- In -","- In2 -","2","0.0625","","Smith, J. F.; Schneider, V. L.","Anisotropic thermal expansion of indium Sample: 99.97% indium","Journal of the Less-Common Metals","1964","7","","17","22","10.1016/0022-5088(64)90013-X","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012377","4.5903","","4.5903","","4.9357","","90","","90","","90","","103.999","","","","","","","","","","","","","1","I 4/m m m","-I 4 2","139","","","Indium","- In -","- In -","- In2 -","2","0.0625","","Smith, J. F.; Schneider, V. L.","Anisotropic thermal expansion of indium Sample: .1 atomic % thallium","Journal of the Less-Common Metals","1964","7","","17","22","10.1016/0022-5088(64)90013-X","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012378","4.5914","","4.5914","","4.9328","","90","","90","","90","","103.988","","","","","","","","","","","","","1","I 4/m m m","-I 4 2","139","","","Indium","- In -","- In -","- In2 -","2","0.0625","","Smith, J. F.; Schneider, V. L.","Anisotropic thermal expansion of indium Sample: .2 atomic % cadmium","Journal of the Less-Common Metals","1964","7","","17","22","10.1016/0022-5088(64)90013-X","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012379","4.5895","","4.5895","","4.9378","","90","","90","","90","","104.007","","","","","","","","","","","","","1","I 4/m m m","-I 4 2","139","","","Indium","- In -","- In -","- In2 -","2","0.0625","","Smith, J. F.; Schneider, V. L.","Anisotropic thermal expansion of indium Sample: .2 atomic % tin","Journal of the Less-Common Metals","1964","7","","17","22","10.1016/0022-5088(64)90013-X","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012380","4.5902","","4.5902","","4.939","","90","","90","","90","","104.064","","","","","","","","","","","","","1","I 4/m m m","-I 4 2","139","","","Indium","- In -","- In -","- In2 -","2","0.0625","","Smith, J. F.; Schneider, V. L.","Anisotropic thermal expansion of indium Sample: .2 atomic % lead","Journal of the Less-Common Metals","1964","7","","17","22","10.1016/0022-5088(64)90013-X","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012502","5.77","","5.77","","5.77","","90","","90","","90","","192.1","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","Krutovite","- As2 Ni -","- As2 Ni -","- As8 Ni4 -","4","0.166667","","Munson, R. A.","The synthesis of iridium disulfide and nickel diarsenide having the pyrite structure Locality: synthetic","Inorganic Chemistry","1968","7","","389","390","10.1021/ic50060a047","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012503","5.4706","","5.4706","","5.4706","","90","","90","","90","","163.721","","","","","","","","","","","","Synthetic","2","P a -3","-P 2ac 2ab 3","205","","","Negevite","- Ni P2 -","- Ni P2 -","- Ni4 P8 -","4","0.166667","","Donohue, P. C.; Bither, T. A.; Young, H. S.","High-pressure synthesis of pyrite-type nickel diphosphide and nickel diarsenide Locality: synthetic","Inorganic Chemistry","1968","7","","998","1001","10.1021/ic50063a031","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012504","8.984","","9.58","","17","","90","","90","","90","","1463.13","","","","","","","","","","","","Synthetic","4","P c c n","-P 2ab 2ac","56","","","Lanthanite-(La)","- C3 H16 La2 O17 -","- C3 H16 La2 O17 -","- C12 H64 La8 O68 -","4","0.5","","Shinn, D. B.; Eick, H. A.","The crystal structure of lanthanum carbonate octahydrate","Inorganic Chemistry","1968","7","","1340","1345","10.1021/ic50065a018","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012807","9.6773","","9.6773","","6.8585","","90","","90","","120","","556.248","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","","Chlorellestadite","- Ca5 Cl O12 S1.5 Si1.5 -","- Ca5 Cl O12 S1.5 Si1.5 -","- Ca10 Cl2 O24 S3 Si3 -","2","0.166667","","Saint-Jean S J; Hansen, S.","Nonstoichiometry in chlorellestadite Locality: synthetic Sample: Stoichiometric","Solid State Sciences","2005","7","","97","102","10.1016/j.solidstatesciences.2004.10.014","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:21",""
"9012808","9.5608","","9.5608","","6.8949","","90","","90","","120","","545.817","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","","Chlorellestadite","- Ca4.7 Cl0.4 O12 S1.5 Si1.5 -","- Ca4.7 Cl0.4 O12 S1.5 Si1.5 -","- Ca9.4 Cl0.8 O24 S3 Si3 -","2","0.166667","","Saint-Jean S J; Hansen, S.","Nonstoichiometry in chlorellestadite Locality: synthetic Sample: Nonstoichiometric","Solid State Sciences","2005","7","","97","102","10.1016/j.solidstatesciences.2004.10.014","","","","","","","","","","","","","","","","","","","","","has coordinates","293656","2024-08-03","07:57:21",""
"9013471","11.347","","11.347","","5.935","","90","","90","","120","","661.78","","","","","","","","","","","","","5","P 63","P 6c","173","","","Lecoqite-(Y)","- C3 H12 Na3 O15 Y -","- C3 H12 Na3 O15 Y -","- C6 H24 Na6 O30 Y2 -","2","0.333333","","Ben Ali, A.; Awaleh, M. O.; Leblanc, M.; Smiri, L. S.; Maisonneuve, V.; Houlbert, S.","Hydrothermal sythesis, crystal structure, thermal behaviour, IR and Raman spectroscopy of Na3Y(CO3)3*6H2O Locality: synthetic","Comptes Rendus Chimie","2004","7","","661","668","10.1016/j.crci.2004.03.007","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9014048","5.5679","","15.5156","","5.5029","","90","","90","","90","","475.392","","","","","","","","","","","","Synthetic","3","P b m a","-P 2a 2ab","57","","","Lueshite","- Na Nb O3 -","- Na Nb O3 -","- Na8 Nb8 O24 -","8","1","","Hewat, A. W.","Neutron powder profile refinement of ferroelectric and antiferroelectric crystal structures: sodium niobate at 22 deg C","Ferroelectrics","1974","7","","83","85","10.1080/00150197408237955","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014498","8.996","","8.996","","8.996","","23.22","","23.22","","23.22","","99.346","","","","","","","","","","","","Synthetic","1","R -3 m :R","-P 3* 2","166","","","Samarium","- Sm -","- Sm -","- Sm3 -","3","0.25","","Daane, A. H.; Rundle, R. E.; Smith, H. G.; Spedding, F. H.","The crystal structure of samarium Note: sample 99% pure","Acta Crystallographica","1954","7","","532","535","10.1107/S0365110X54001818","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9016031","8.8","","8.8","","4.544","","90","","90","","90","","351.887","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Cr2.5 Fe2.5 -","- Cr2.5 Fe2.5 -","- Cr15 Fe15 -","6","0.375","","Bergman, G.; Shoemaker, D. P.","The determination of the crystal structure of the sigma phase in the iron-chromium and iron-molybdenum systems","Acta Crystallographica","1954","7","","857","865","10.1107/S0365110X54002605","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016285","10.958","","7.778","","7.799","","90","","100.9","","90","","652.727","","","","","","","","","","","","Ohmi District, Niigata Prefecture, Central Japan","5","P 1 21/m 1","-P 2yb","11","","","Ohmilite","- H5 O15 Si4 Sr3 Ti -","- H5 O15 Si4 Sr3 Ti -","- H10 O30 Si8 Sr6 Ti2 -","2","0.5","","Mizota, T.; Komatsu, M.; Chihara, K.","On the crystal structure of Sr3TiSi4O12(OH)*2H2O, a new mineral Note: paper is missing data for O8","Mineralogical Journal","1973","7","","302","305","10.2465/minerj1953.7.302","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017149","8.534","","8.556","","7.015","","101.53","","114.97","","103.38","","425.242","","","","","","","","","","","","Dolores River, Colorado, USA","4","P -1","-P 1","2","","","Rossite","- Ca H8 O10 V2 -","- Ca H8 O10 V2 -","- Ca2 H16 O20 V4 -","2","1","","Ahmed, F. R.; Barnes, W. H.","The crystal structure of rossite","The Canadian Mineralogist","1963","7","","713","726","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017521","3.253","","3.253","","4.9455","","90","","90","","90","","52.333","","","","","","","","","","","","Synthetic","1","I 4/m m m","-I 4 2","139","","","Indium","- In -","- In -","- In2 -","2","0.0625","","Smith, J. F.; Schneider, V. L.","Anisotropic thermal expansion of indium Sample: 99.9999% indium Note: converted from kx units","Journal of the Less-Common Metals","1964","7","","17","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017522","3.2521","","3.2521","","4.9479","","90","","90","","90","","52.33","","","","","","","","","","","","Synthetic","1","I 4/m m m","-I 4 2","139","","","Indium","- In -","- In -","- In2 -","2","0.0625","","Smith, J. F.; Schneider, V. L.","Anisotropic thermal expansion of indium Sample: 99.999% indium Note: converted from kx units","Journal of the Less-Common Metals","1964","7","","17","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017523","3.2523","","3.2523","","4.9479","","90","","90","","90","","52.336","","","","","","","","","","","","Synthetic","1","I 4/m m m","-I 4 2","139","","","Indium","- In -","- In -","- In2 -","2","0.0625","","Smith, J. F.; Schneider, V. L.","Anisotropic thermal expansion of indium Sample: 99.97% indium Note: converted from kx units","Journal of the Less-Common Metals","1964","7","","17","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017524","3.2524","","3.2524","","4.9457","","90","","90","","90","","52.316","","","","","","","","","","","","Synthetic","1","I 4/m m m","-I 4 2","139","","","Indium","- In -","- In -","- In2 -","2","0.0625","","Smith, J. F.; Schneider, V. L.","Anisotropic thermal expansion of indium Sample: .1 atomic % thallium Note: converted from kx units","Journal of the Less-Common Metals","1964","7","","17","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017525","3.2532","","3.2532","","4.9428","","90","","90","","90","","52.311","","","","","","","","","","","","Synthetic","1","I 4/m m m","-I 4 2","139","","","Indium","- In -","- In -","- In2 -","2","0.0625","","Smith, J. F.; Schneider, V. L.","Anisotropic thermal expansion of indium Sample: .2 atomic % cadmium Note: converted from kx units","Journal of the Less-Common Metals","1964","7","","17","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017526","3.2518","","3.2518","","4.9478","","90","","90","","90","","52.319","","","","","","","","","","","","Synthetic","1","I 4/m m m","-I 4 2","139","","","Indium","- In -","- In -","- In2 -","2","0.0625","","Smith, J. F.; Schneider, V. L.","Anisotropic thermal expansion of indium Sample: .2 atomic % tin Note: converted from kx units","Journal of the Less-Common Metals","1964","7","","17","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017527","3.2523","","3.2523","","4.949","","90","","90","","90","","52.348","","","","","","","","","","","","Synthetic","1","I 4/m m m","-I 4 2","139","","","Indium","- In -","- In -","- In2 -","2","0.0625","","Smith, J. F.; Schneider, V. L.","Anisotropic thermal expansion of indium Sample: .2 atomic % lead Note: converted from kx units","Journal of the Less-Common Metals","1964","7","","17","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017785","4.759","","10.227","","5.995","","90","","90","","90","","291.778","","","","","","","","","","","","Baldissero, Ivrea-Verbano Zone, Western Italian Alps","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.2 Mg1.8 O4 Si -","- Fe0.2 Mg1.8 O4 Si -","- Fe0.8 Mg7.2 O16 Si4 -","4","0.5","","Bocchio, R.; Brajkovic, A.; Pilati, T.","Crystal chemistry of the olivines in the peridotites from the Ivrea- Verbano Zone (Western Italian Alps) Note: Sample Mo895","Neues Jahrbuch fur Mineralogie, Monatshefte","1986","7","","313","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017786","4.764","","10.226","","5.991","","90","","90","","90","","291.862","","","","","","","","","","","","Balmuccia, Ivrea-Verbano Zone, Western Italian Alps","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.2 Mg1.8 O4 Si -","- Fe0.2 Mg1.8 O4 Si -","- Fe0.8 Mg7.2 O16 Si4 -","4","0.5","","Bocchio, R.; Brajkovic, A.; Pilati, T.","Crystal chemistry of the olivines in the peridotites from the Ivrea- Verbano Zone (Western Italian Alps) Note: Sample 77IVBL11","Neues Jahrbuch fur Mineralogie, Monatshefte","1986","7","","313","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017787","4.762","","10.231","","5.993","","90","","90","","90","","291.979","","","","","","","","","","","","Finero, Ivrea-Verbano Zone, Western Italian Alps","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.172 Mg1.828 O4 Si -","- Fe0.172 Mg1.828 O4 Si -","- Fe0.688 Mg7.312 O16 Si4 -","4","0.5","","Bocchio, R.; Brajkovic, A.; Pilati, T.","Crystal chemistry of the olivines in the peridotites from the Ivrea- Verbano Zone (Western Italian Alps) Note: Sample PB9","Neues Jahrbuch fur Mineralogie, Monatshefte","1986","7","","313","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017788","4.762","","10.23","","5.996","","90","","90","","90","","292.097","","","","","","","","","","","","Rocca d'Argimonia, Ivrea-Verbano Zone, Western Italian Alps","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.226 Mg1.774 O4 Si -","- Fe0.226 Mg1.774 O4 Si -","- Fe0.904 Mg7.096 O16 Si4 -","4","0.5","","Bocchio, R.; Brajkovic, A.; Pilati, T.","Crystal chemistry of the olivines in the peridotites from the Ivrea- Verbano Zone (Western Italian Alps) Note: Sample Mo982","Neues Jahrbuch fur Mineralogie, Monatshefte","1986","7","","313","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017789","4.766","","10.236","","5.999","","90","","90","","90","","292.66","","","","","","","","","","","","Finero, Ivrea-Verbano Zone, Western Italian Alps","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.238 Mg1.762 O4 Si -","- Fe0.238 Mg1.762 O4 Si -","- Fe0.952 Mg7.048 O16 Si4 -","4","0.5","","Bocchio, R.; Brajkovic, A.; Pilati, T.","Crystal chemistry of the olivines in the peridotites from the Ivrea- Verbano Zone (Western Italian Alps) Note: Sample 84AT7","Neues Jahrbuch fur Mineralogie, Monatshefte","1986","7","","313","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017790","4.765","","10.245","","6.001","","90","","90","","90","","292.953","","","","","","","","","","","","Valsesia, Ivrea-Verbano Zone, Western Italian Alps","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.316 Mg1.684 O4 Si -","- Fe0.316 Mg1.684 O4 Si -","- Fe1.264 Mg6.736 O16 Si4 -","4","0.5","","Bocchio, R.; Brajkovic, A.; Pilati, T.","Crystal chemistry of the olivines in the peridotites from the Ivrea- Verbano Zone (Western Italian Alps) Note: Sample Mo454","Neues Jahrbuch fur Mineralogie, Monatshefte","1986","7","","313","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017791","4.77","","10.253","","6.006","","90","","90","","90","","293.734","","","","","","","","","","","","Valsesia, Ivrea-Verbano Zone, Western Italian Alps","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.364 Mg1.636 O4 Si -","- Fe0.364 Mg1.636 O4 Si -","- Fe1.456 Mg6.544 O16 Si4 -","4","0.5","","Bocchio, R.; Brajkovic, A.; Pilati, T.","Crystal chemistry of the olivines in the peridotites from the Ivrea- Verbano Zone (Western Italian Alps) Note: Sample Mo940","Neues Jahrbuch fur Mineralogie, Monatshefte","1986","7","","313","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017792","4.764","","10.24","","6.002","","90","","90","","90","","292.798","","","","","","","","","","","","Valsesia, Ivrea-Verbano Zone, Western Italian Alps","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.318 Mg1.682 O4 Si -","- Fe0.318 Mg1.682 O4 Si -","- Fe1.272 Mg6.728 O16 Si4 -","4","0.5","","Bocchio, R.; Brajkovic, A.; Pilati, T.","Crystal chemistry of the olivines in the peridotites from the Ivrea- Verbano Zone (Western Italian Alps) Note: Sample OLBC2","Neues Jahrbuch fur Mineralogie, Monatshefte","1986","7","","313","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017793","4.766","","10.25","","6.005","","90","","90","","90","","293.353","","","","","","","","","","","","Valsesia, Ivrea-Verbano Zone, Western Italian Alps","4","P b n m","-P 2c 2ab","62","","","Forsterite","- Fe0.3 Mg1.7 O4 Si -","- Fe0.3 Mg1.7 O4 Si -","- Fe1.2 Mg6.8 O16 Si4 -","4","0.5","","Bocchio, R.; Brajkovic, A.; Pilati, T.","Crystal chemistry of the olivines in the peridotites from the Ivrea- Verbano Zone (Western Italian Alps) Note: Sample OLBC3","Neues Jahrbuch fur Mineralogie, Monatshefte","1986","7","","313","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017826","6.23","","6.98","","6.97","","90","","90","","90","","303.093","","","","","","","","","","","","","3","B b m m","-B 2 2b","63","","","Anhydrite","- Ca O4 S -","- Ca O4 S -","- Ca4 O16 S4 -","4","0.25","","Hohne, E.","A more accurate determination of the crystal structure of anhydrite, CaSO4","Soviet Physics Crystallography","1962","7","","559","569","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""