# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T20:00:54+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 11 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
"1000027","5.182","0.015","7.893","0.002","6.506","0.016","90","","90","","90","","266.1","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Magnesium sulfate","","- Mg O4 S -","- Mg O4 S -","- Mg4 O16 S4 -","4","0.25","","Rentzeperis, P J; Soldatos, C T","The Crystal Structure of the Anhydrous Magnesium Sulfate","Acta Crystallographica (1,1948-23,1967)","1958","11","","686","688","10.1107/S0365110X58001857","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001036","4.649","","7.739","","13.596","","90","","90","","90","","489.2","","","","","","","","","","","","","4","P c m n","-P 2n 2ac","62","","Barium silicon germanium oxide (1/1.5/0.5/5)","","- Ba Ge0.5 O5 Si1.5 -","- Ba Ge0.5 O5 Si1.5 -","- Ba4 Ge2 O20 Si6 -","4","0.5","","Goreaud, M; Choisnet, J; Raveau, B; Deschanvres, A","Sur les silicogermanates Ba(Si~2-x~ Ge~x~) O~5~ isotypes de la sanbornite","Revue de Chimie Minerale","1974","11","","207","216","","","","","","","0.067","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001102","9.001","","9.001","","7.734","","90","","90","","120","","542.6","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Barium tantalosilicate *","","- Ba3 O26 Si4 Ta6 -","- Ba3 O26 Si4 Ta6 -","- Ba3 O26 Si4 Ta6 -","1","0.0833333","","Choisnet, J.; Nguyen, N.; Groult, D.; Raveau, B.","De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7: Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta)","Materials Research Bulletin","1976","11","","887","894","10.1016/0025-5408(76)90160-4","","","","","","0.089","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001103","8.913","","8.913","","7.633","","90","","90","","120","","525.1","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Strontium tantalosilicate *","","- O26 Si4 Sr3 Ta6 -","- O26 Si4 Sr3 Ta6 -","- O26 Si4 Sr3 Ta6 -","1","0.0833333","","Choisnet, J.; Nguyen, N.; Groult, D.; Raveau, B.","De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7: Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta)","Materials Research Bulletin","1976","11","","887","894","10.1016/0025-5408(76)90160-4","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","277833","2022-09-14","15:22:10",""
"1001104","9.066","","9.066","","7.873","","90","","90","","120","","560.4","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Potassium silicate tantalate *","","- K6 O26 Si4 Ta6 -","- K6 O26 Si4 Ta6 -","- K6 O26 Si4 Ta6 -","1","0.0833333","","Choisnet, J; Nguyen, N; Groult, D; Raveau, B","De nouveaux oxydes a reseau forme d'octaedres Nb O~6~ (Ta O~6~) et de groupes Si~2~ O~7~: Les phases A~3~ Ta~6~ Si~4~ O~26~ (A= Ba, Sr) et K~6~ M~6~ Si~4~ O~26~ (M= Nb, Ta)","Materials Research Bulletin","1976","11","","887","894","10.1016/0025-5408(76)90160-4","","","","","","0.066","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001105","9.032","","9.032","","8.041","","90","","90","","120","","568.1","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Potassium niobosilicate *","","- K6 Nb6 O26 Si4 -","- K6 Nb6 O26 Si4 -","- K6 Nb6 O26 Si4 -","1","0.0833333","","Choisnet, J; Nguyen, N; Groult, D; Raveau, B","De nouveaux oxydes a reseau forme d'octaedres Nb O~6~ (Ta O~6~) et de groupes Si~2~ O~7~: Les phases A~3~ Ta~6~ Si~4~ O~26~ (A= Ba, Sr) et K~6~ M~6~ Si~4~ O~26~ (M= Nb, Ta)","Materials Research Bulletin","1976","11","","887","894","10.1016/0025-5408(76)90160-4","","","","","","0.088","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001720","8.981","","8.981","","7.84","","90","","90","","120","","547.6","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","Barium niobate silicate *","Belkovite","- Ba3 Nb6 O26 Si4 -","- Ba3 Nb6 O26 Si4 -","- Ba3 Nb6 O26 Si4 -","1","0.0833333","","Choisnet, J.; Nguyen, N.; Groult, D.; Raveau, B.","De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7: Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta) Locality: synthetic","Materials Research Bulletin","1976","11","","887","894","10.1016/0025-5408(76)90160-4","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001772","4.634","","7.69","","13.512","","90","","90","","90","","481.5","","","","","","","","","","","","synthetic","3","P c m n","-P 2n 2ac","62","","Barium phyllo-disilicate","Sanbornite","- Ba O5 Si2 -","- Ba O5 Si2 -","- Ba4 O20 Si8 -","4","0.5","","Goreaud, M; Choisnet, J; Raveau, B; Deschanvres, A","Sur les silicogermanates Ba (Si2-x Gex) O5 isotypes de la sanbornite","Revue de Chimie Minerale","1974","11","","207","216","","","","","","","0.065","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004020","6","0.002","6","0.002","6","0.002","54.42","0.03","54.42","0.03","54.42","0.03","132.9","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","Calcium trioxostannate","","- Ca O3 Sn -","- Ca O3 Sn -","- Ca2 O6 Sn2 -","2","0.333333","","Durand, B; Loiseleur, H","Crystal data for an ilmenite variety of calcium stannate Ca Sn O~3~","Journal of Applied Crystallography","1978","11","","289","290","","","","","","","0.092","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1004133","8.765","0.002","8.765","0.002","5.65","0.001","90","","90","","90","","434.1","","","","","","","","","","","","","4","P 4/n c c :2","-P 4a 2ac","130","","Platinum bismuth lead oxide (1/1.6/0.4/3.8)","","- Bi1.6 O3.8 Pb0.4 Pt -","- Bi1.6 O3.8 Pb0.4 Pt -","- Bi6.4 O15.2 Pb1.6 Pt4 -","4","0.25","","Boivin, J C; Conflant, P; Thomas, D","Un nouveau compose contanant des chaine lineaires unidirectionnelles d'atomes metalliques. Pt Bi1.6 Pb0.4 O4","Materials Research Bulletin","1976","11","","1503","1510","10.1016/0025-5408(76)90101-X","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1006025","5.3876","0.0005","5.5883","0.0005","12.135","0.001","90","","90","","90","","365.4","","","","","","","","","","","","","3","B m a b","-B 2ab 2","64","","Dineodymium nickel oxide","","- Nd2 Ni O4 -","- Nd2 Ni O4 -","- Nd8 Ni4 O16 -","4","","","Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L; Fernandez, F; Saez-Puche, R","Structural phase transitions and three-dimensional magnetic ordering in the Nd~2~NiO~4~ oxide","Europhysics Letters","1990","11","","261","268","10.1209/0295-5075/11/3/013","","","","","","0.0436","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006026","5.37325","0.00009","5.5913","0.0001","12.0976","0.0002","90","","90","","90","","363.5","","","","","","","","","","","","","3","B m a b","-B 2ab 2","64","","Dineodymium nickel oxide","","- Nd2 Ni O4 -","- Nd2 Ni O4 -","- Nd8 Ni4 O16 -","4","","","Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L; Fernandez, F; Saez-Puche, R","Structural phase transitions and three-dimensional magnetic ordering in the Nd~2~NiO~4~ oxide","Europhysics Letters","1990","11","","261","268","10.1209/0295-5075/11/3/013","","","","","","0.0646","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006027","5.48","0.001","5.48","0.001","12.057","0.003","90","","90","","90","","362.1","","","","","","","","","","","","","3","P 42/n c m :2","-P 4ac 2ac","138","","Dineodymium nickel oxide","","- Nd2 Ni O4 -","- Nd2 Ni O4 -","- Nd8 Ni4 O16 -","4","0.25","","Rodriguez-Carvajal, J; Fernandez-Diaz, M T; Martinez, J L; Fernandez, F; Saez-Puche, R","Structural phase transitions and three-dimensional magnetic ordering in the Nd~2~NiO~4~ oxide","Europhysics Letters","1990","11","","261","268","10.1209/0295-5075/11/3/013","","","","","","0.0733","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1008052","7.1321","0.0002","15.0468","0.0003","14.1771","0.0004","90","","99.05","0.003","90","","1502.5","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Trimercury bis(tetrachloroaluminate)","","- Al2 Cl8 Hg3 -","- Al2 Cl8 Hg3 -","- Al8 Cl32 Hg12 -","4","1","","Ellison, R D; Levy, H A; Fung, K W","Crystal and molecular structure of trimercury chloroaluminate, Hg~3~ (Al Cl~4~)~2~","Inorganic Chemistry","1972","11","","833","836","10.1021/ic50110a036","","","","","","0.082","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008117","8.714","0.001","8.714","0.001","8.714","0.001","90","","90","","90","","661.7","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","Rhenium arsenide (3/7)","","- As7 Re3 -","- As7 Re3 -","- As28 Re12 -","4","0.0416667","","Klein, M; Schnering, H G von","Untersuchungen an Re~3~ As~7~","Journal of the Less-Common Metals","1966","11","","298","299","10.1016/0022-5088(66)90021-X","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008750","4.401","0.001","9.421","0.004","2.845","0.001","90","","90","","90","","118","","","","","","","","","","","","from Redondo, Uruguay, and from Chester, Pennsylvania","3","P b n m","-P 2c 2ab","62","","Aluminium oxide hydroxide","Diaspore","- Al H O2 -","- Al H2 O2 -","- Al4 H8 O8 -","4","0.5","","Busing, W R; Levy, H A","A Single Crystal Neutron Diffraction Study of Diaspore, Al O","Acta Crystallographica (1,1948-23,1967)","1958","11","","798","803","10.1107/S0365110X58002243","","","","","","0.039","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1009037","10.009","0.001","3.4805","0.0006","15.629","0.002","90","","109.47","0.01","90","","513.3","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Niobium selenide (1/3)","","- Nb Se3 -","- Nb Se3 -","- Nb6 Se18 -","6","1.5","","Hodeau, J L; Marezio, M; Roucau, C; Ayroles, R; Meerschaut, A; Rouxel, J; Monceau, P","Charge density waves in Nb Se3 at 145 K: Crystal structures x-ray and electron diffraction studies","Journal of Physics C","1978","11","","4117","4134","10.1088/0022-3719/11/20/009","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1009061","9.984","0.002","3.4831","0.0008","15.591","0.003","90","","109.47","0.02","90","","511.2","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Niobium(VI) selenide","","- Nb Se3 -","- Nb Se3 -","- Nb6 Se18 -","6","1.5","","Hodeau, J L; Marezio, M; Roucau, C; Ayroles, R; Meerschaut, A; Rouxel, J; Monceau, P","Charge density waves in Nb Se3 at 145 K: Crystal structures X-Ray and electron diffraction studies","Journal of Physics C","1978","11","","4117","4134","10.1088/0022-3719/11/20/009","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010032","4.555","0.003","4.555","0.003","4.555","0.003","90","","90","","90","","94.5","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","Chromium silicide (3/1)","","- Cr3 Si -","- Cr3 Si -","- Cr6 Si2 -","2","0.0416667","","Boren, B","Roentgenuntersuchung der Legierungen von Silicium mit Chrom, Mangan, Kobalt und Nickel","Arkiv foer Kemi, Mineralogi och Geologi, A","1933","11","1","1","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010033","4.422","0.005","4.422","0.005","6.351","0.005","90","","90","","120","","107.5","","","","","","","","","","","","","2","P 62 2 2","P 62 2 (0 0 4)","180","","Chromium silicide (1/2)","","- Cr Si2 -","- Cr Si2 -","- Cr3 Si6 -","3","0.25","","Boren, B","Roentgenuntersuchung der Legierungen von Silicium mit Chrom, Mangan, Kobalt und Nickel","Arkiv foer Kemi, Mineralogi och Geologi, A","1934","11","10","1","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010034","4.62","0.002","4.62","0.002","4.62","0.002","90","","90","","90","","98.6","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","Chromium silicide (1/1)","","- Cr Si -","- Cr Si -","- Cr4 Si4 -","4","0.333333","","Boren, B","Roentgenuntersuchung der Legierungen von Silicium mit Chrom, Mangan, Kobalt und Nickel","Arkiv foer Kemi, Mineralogi och Geologi, A","1934","11","10","1","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010035","4.548","0.002","4.548","0.002","4.548","0.002","90","","90","","90","","94.1","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","Manganese silicide (1/1) - $-epsilon","","- Mn Si -","- Mn Si -","- Mn4 Si4 -","4","0.333333","","Boren, B","Roentgenuntersuchung der Legierungen von Silicium mit Chrom, Mangan, Kobalt und Nickel","Arkiv foer Kemi, Mineralogi och Geologi, A","1934","11","10","1","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010036","4.438","","4.438","","4.438","","90","","90","","90","","87.4","","","","","","","","","","","","","2","P 21 3","P 2ac 2ab 3","198","","Cobalt silicide(-II) - $-epsilon *","","- Co Si -","- Co Si -","- Co4 Si4 -","4","0.333333","","Boren, B","Roentgenuntersuchung der Legierungen von Silicium mit Chrom, Mangan, Kobalt und Nickel.","Arkiv foer Kemi, Mineralogi och Geologi, A","1933","11","1","1","28","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010473","5.905","","5.249","","3.167","","90","","90","","90","","98.2","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","Manganese phosphide (1/1)","","- Mn P -","- Mn P -","- Mn4 P4 -","4","0.5","","Fylking, K E","Phosphides and Arsenides with modified Nickel-Arsenide Structure","Arkiv foer Kemi, Mineralogi och Geologi, B","1934","11","48","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010474","5.099","","5.099","","4.24","","90","","90","","90","","110.2","","","","","","","","","","","","","2","I -4 2 m","I -4 2","121","","Iron boride (2/1)","","- B Fe2 -","- B Fe2 -","- B4 Fe8 -","4","0.25","","Bjurstroem, T","Roentgenanalyse der Systeme Eisen-Bor, Kobalt-Bor und Nickel-Bor","Arkiv foer Kemi, Mineralogi och Geologi, A","1933","11","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010475","5.006","","5.006","","4.212","","90","","90","","90","","105.6","","","","","","","","","","","","","2","I -4 2 m","I -4 2","121","","Cobalt boride (2/1)","","- B Co2 -","- B Co2 -","- B4 Co8 -","4","0.25","","Bjurstroem, T","Roentgenanalyse der Systeme Eisen-Bor, Kobalt-Bor und Nickel-Bor","Arkiv foer Kemi, Mineralogi och Geologi, A","1933","11","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010476","4.98","","4.98","","4.236","","90","","90","","90","","105.1","","","","","","","","","","","","","2","I -4 2 m","I -4 2","121","","Nickel boride (2/1)","","- B Ni2 -","- B Ni2 -","- B4 Ni8 -","4","0.25","","Bjurstroem, T","Roentgenanalyse der Systeme Eisen-Bor, Kobalt-Bor und Nickel-Bor","Arkiv foer Kemi, Mineralogi och Geologi, A","1933","11","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010477","4.053","","5.495","","2.946","","90","","90","","90","","65.6","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","Iron boride (1/1)","","- B Fe -","- B Fe -","- B4 Fe4 -","4","0.5","","Bjurstroem, T","Roentgenanalyse der Systeme Eisen-Bor, Kobalt-Bor und Nickel-Bor","Arkiv foer Kemi, Mineralogi och Geologi, A","1933","11","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010478","3.948","","5.243","","3.307","","90","","90","","90","","68.5","","","","","","","","","","","","","2","P b n m","-P 2c 2ab","62","","Cobalt boride (1/1)","","- B Co -","- B Co -","- B4 Co4 -","4","0.5","","Bjurstroem, T","Roentgenanalyse der Systeme Eisen-Bor, Kobalt-Bor und Nickel-Bor","Arkiv foer Kemi, Mineralogi och Geologi, A","1933","11","","1","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010631","9.694","","9.694","","9.694","","90","","90","","90","","911","","","","","","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","","Copper silicide (15/4)","","- Cu15 Si4 -","- Cu15 Si4 -","- Cu60 Si16 -","4","0.0833333","","Morral, F R; Westgren, A","The crystal structure of a complex copper-silicon compound","Arkiv foer Kemi, Mineralogi och Geologi, B","1934","11","37","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1010970","10.28","","10.28","","10.28","","90","","90","","90","","1086.4","","","","","","","","","","","","from Minas Geraes","4","","","","","Dicalcium diantimony(V) difluoride oxide","Romeite","- Ca2 F2 O6 Sb2 -","","","1","","","Aminoff, G","On the Minerals Weslienite and Atopite.","Kunglia Svenska Vetenskaps Akademiens Handlingar","1933","11","","14","18","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1010971","13.44","","13.44","","8.72","","90","","90","","120","","1364.1","","","","","","","","","","","","from Langbanshyttan","3","","","","","Trimanganese diarsenic hexaoxide","Armangite","- As2 Mn3 O6 -","","","9","","","Aminoff, G","Lattice Dimensions of the Mineral Armanganite.","Kunglia Svenska Vetenskaps Akademiens Handlingar","1933","11","","19","20","","","","","","","","","","","","","","","","","","","","","","","77586","2020-10-21","18:00:00",""
"1011229","5.42","","5.42","","8.8","","90","","90","","120","","223.9","","","","","","","","","","","","from Langban, Sweden","4","P 63 m c","P 6c -2c","186","","Sodium tetraberyllium catena-antimonate tetraoxide","Swedenborgite","- Be4 Na O7 Sb -","- Be0.6667 Na O7 Sb -","- Be1.3334 Na2 O14 Sb2 -","2","0.166667","","Aminoff, G","On the structure and chemical composition of Swedenborgite","Kunglia Svenska Vetenskaps Akademiens Handlingar","1933","11","","1","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011285","6.016","","5.428","","3.366","","90","","90","","90","","109.9","","","","","","","","","","","","synthetic at 1003 K for 1d","2","P b n m","-P 2c 2ab","62","","Iron arsenide (1/1)","Westerveldite","- As Fe -","- As Fe -","- As4 Fe4 -","4","0.5","","Fylking, K E","Phosphides and arsenides with modified nickel-arsenide structure","Arkiv foer Kemi, Mineralogi och Geologi, B","1934","11","48","1","6","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100331","23.355","0.005","11.187","","15.629","","90","","111.66","0.01","90","","3795.1","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 Cr N O6 -","- C17 H17 Cr N O6 -","- C136 H136 Cr8 N8 O48 -","8","1","","Grotjahn, D. B.; Kroll, F. E. K.; Schaefer, T.; Harms, K.; Doetz, K. H.","Reactions of complex ligands. 45. (Acylamino)carbene complexes: synthesis, structure, and reactivity","Organometallics","1992","11","1","298","310","10.1021/om00037a052","","","","","","","","","","","","","","","","","","","","","has coordinates","177957","2020-10-21","18:00:00",""
"1501552","8.612","0.005","13.909","0.005","15.522","0.005","104.233","0.005","98.682","0.005","92.148","0.005","1776.2","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 N4 O12 Sn -","- C32 H40 N4 O12 Sn -","- C64 H80 N8 O24 Sn2 -","2","1","","Okba Saied; Thierry Maris; Michel Simard; Wuest,James D","Tectonique Moléculaire: Stabilisation d'un polymorphe d'inclusion métastable","Journal de la Société Chimique de Tunisie","2009","11","","101","107","","","","1.54178","CuKα","","0.0693","0.0543","","","0.1436","0.1578","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503634","9.1421","0.001","20.355","0.002","9.6776","0.001","90","","90.67","0.001","90","","1800.8","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N O10 P -","- C15 H16 N O10 P -","- C60 H64 N4 O40 P4 -","4","1","","Rostamnia, Sadegh; Alizadeh, Abdolali; Zhu, Long-Guan","Novel Three-Component Route to Diastereoselective Synthesis of Trisubstituted Vinylphosphonates Using Phosphites, Acetylenic Esters, and Aroyl Chlorides","Journal of Combinatorial Chemistry","2009","11","1","143","","10.1021/cc800128j","","","0.71073","MoKα","","0.0551","0.0448","","","0.1121","0.1189","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503635","13.466","0.005","5.758","0.002","7.713","0.003","90","","93.049","0.009","90","","597.2","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C32 H24 N4 -","2","0.5","","Mei, Luo; Hai, Zhang Jia; Jie, Sun; Ming, Zhou Shi; Hao, Yin; Liang, Hu Ke","Modular synthesis of oxazolines and their derivatives.","Journal of combinatorial chemistry","2009","11","2","220","227","10.1021/cc8001537","","","0.71073","MoKα","","0.0879","0.0633","","","0.1564","0.1704","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503636","5.8138","0.0015","9.773","0.003","15.314","0.004","84.585","0.004","88.44","0.005","79.196","0.005","850.8","0.4","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C36 H48 N4 O4 -","2","2","","Mei, Luo; Hai, Zhang Jia; Jie, Sun; Ming, Zhou Shi; Hao, Yin; Liang, Hu Ke","Modular synthesis of oxazolines and their derivatives.","Journal of combinatorial chemistry","2009","11","2","220","227","10.1021/cc8001537","","","0.71073","MoKα","","0.0751","0.0592","","","0.1334","0.1546","","","","","","0.995","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503637","7.8004","0.0007","11.6387","0.0011","30.824","0.003","90","","90","","90","","2798.4","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C136 H112 N16 O8 -","8","2","","Mei, Luo; Hai, Zhang Jia; Jie, Sun; Ming, Zhou Shi; Hao, Yin; Liang, Hu Ke","Modular synthesis of oxazolines and their derivatives.","Journal of combinatorial chemistry","2009","11","2","220","227","10.1021/cc8001537","","","0.71073","MoKα","","0.0849","0.0614","","","0.1328","0.1449","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503638","7.147","0.001","12.501","0.0014","13.094","0.0016","118.506","0.002","99.047","0.001","93.074","0.001","1004","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 Br2 N6 O6 -","- C42 H40 Br2 N6 O6 -","- C42 H40 Br2 N6 O6 -","1","0.5","","Hao, Wen-Juan; Jiang, Bo; Tu, Shu-Jiang; Wu, Shan-Shan; Han, Zheng-Guo; Cao, Xu-Dong; Zhang, Xiao-Hong; Yan, Shu; Shi, Feng","Microwave-assisted combinatorial synthesis of new 3-pyrimidin-5-ylpropanamides via a solvent-dependent chemoselective reaction.","Journal of combinatorial chemistry","2009","11","2","310","314","10.1021/cc800175n","","","0.71073","MoKα","","0.1175","0.0602","","","0.1406","0.1545","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503639","11.6798","0.001","14.8279","0.0016","11.8422","0.0012","90","","115.022","0.002","90","","1858.4","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N3 O3 -","- C19 H23 N3 O3 -","- C76 H92 N12 O12 -","4","1","","Hao, Wen-Juan; Jiang, Bo; Tu, Shu-Jiang; Wu, Shan-Shan; Han, Zheng-Guo; Cao, Xu-Dong; Zhang, Xiao-Hong; Yan, Shu; Shi, Feng","Microwave-assisted combinatorial synthesis of new 3-pyrimidin-5-ylpropanamides via a solvent-dependent chemoselective reaction.","Journal of combinatorial chemistry","2009","11","2","310","314","10.1021/cc800175n","","","0.71073","MoKα","","0.0932","0.0451","","","0.112","0.1455","","","","","","1.024","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1503640","7.1563","0.0012","19.637","0.002","13.2746","0.0018","90","","101.74","0.002","90","","1826.4","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N3 O3 -","- C20 H25 N3 O3 -","- C80 H100 N12 O12 -","4","1","","Hao, Wen-Juan; Jiang, Bo; Tu, Shu-Jiang; Wu, Shan-Shan; Han, Zheng-Guo; Cao, Xu-Dong; Zhang, Xiao-Hong; Yan, Shu; Shi, Feng","Microwave-assisted combinatorial synthesis of new 3-pyrimidin-5-ylpropanamides via a solvent-dependent chemoselective reaction.","Journal of combinatorial chemistry","2009","11","2","310","314","10.1021/cc800175n","","","0.71073","MoKα","","0.0961","0.0476","","","0.0926","0.1042","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503641","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","","Hao, Wen-Juan; Jiang, Bo; Tu, Shu-Jiang; Wu, Shan-Shan; Han, Zheng-Guo; Cao, Xu-Dong; Zhang, Xiao-Hong; Yan, Shu; Shi, Feng","Microwave-assisted combinatorial synthesis of new 3-pyrimidin-5-ylpropanamides via a solvent-dependent chemoselective reaction.","Journal of combinatorial chemistry","2009","11","2","310","314","10.1021/cc800175n","","","0.71073","MoKα","","0.3029","0.0943","","","0.1917","0.2599","","","","","","1.005","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503642","8.0245","0.0005","9.6791","0.0006","11.3233","0.0007","91.953","0.002","106.421","0.001","100.371","0.002","826.45","0.09","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","7-benzyl-5,6-dimethyl-2-phenylpyrrolo[2,3-d][1,3]oxazin-4(7H)-one","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C42 H36 N4 O4 -","2","1","","Che, Jun; Raghavendra, Makam S.; Lam, Yulin","Traceless Solid-Phase Synthesis of Heteroannulated 1,3-Oxazin-6-ones","Journal of Combinatorial Chemistry","2009","11","3","378","","10.1021/cc800193r","","","0.71073","MoKα","","0.0858","0.0575","","","0.1392","0.1536","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503643","25.657","0.002","25.657","0.002","25.657","0.002","90","","90","","90","","16890","2","298","2","298","2","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- C24 H28.42 Br2 N5 O4.71 -","- C24 H28.4133 Br2 N5 O4.70833 -","- C576 H681.92 Br48 N120 O113 -","24","1","","Han, Zheng-Guo; Zhang, Ge; Jiang, Bo; Ma, Ning; Shi, Feng; Tu, Shu-Jiang","Diversity Synthesis of Pyrimido[4,5-b][1,6]naphthyridine and Its Derivatives under Microwave Irradiation","Journal of Combinatorial Chemistry","2009","11","5","809","","10.1021/cc800196u","","","0.71073","MoKα","","0.2899","0.0709","","","0.1255","0.1538","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503644","10.7187","0.0016","10.9704","0.0019","11.153","0.002","109.785","0.002","102.364","0.001","104.201","0.001","1131.1","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N4 S2 -","- C26 H22 N4 S2 -","- C52 H44 N8 S4 -","2","1","","Han, Zheng-Guo; Zhang, Ge; Jiang, Bo; Ma, Ning; Shi, Feng; Tu, Shu-Jiang","Diversity Synthesis of Pyrimido[4,5-b][1,6]naphthyridine and Its Derivatives under Microwave Irradiation","Journal of Combinatorial Chemistry","2009","11","5","809","","10.1021/cc800196u","","","0.71073","MoKα","","0.0983","0.0574","","","0.1549","0.1764","","","","","","0.997","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503645","9.8714","0.0013","16.11","0.02","16.131","0.002","95.159","0.001","103.578","0.002","91.954","0.001","2479","3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N4 O1.5 -","- C28 H28 N4 O1.5 -","- C112 H112 N16 O6 -","4","2","","Han, Zheng-Guo; Zhang, Ge; Jiang, Bo; Ma, Ning; Shi, Feng; Tu, Shu-Jiang","Diversity Synthesis of Pyrimido[4,5-b][1,6]naphthyridine and Its Derivatives under Microwave Irradiation","Journal of Combinatorial Chemistry","2009","11","5","809","","10.1021/cc800196u","","","0.71073","MoKα","","0.24","0.0837","","","0.1784","0.2166","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503646","11.7147","0.0014","6.9466","0.0009","20.785","0.002","90","","90","","90","","1691.4","0.3","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H17 Cl N2 O2 -","- C19 H17 Cl N2 O2 -","- C76 H68 Cl4 N8 O8 -","4","0.5","","Tu, Shu-Jiang; Zhang, Xiao-Hong; Han, Zheng-Guo; Cao, Xu-Dong; Wu, Shan-Shan; Yan, Shu; Hao, Wen-Juan; Zhang, Ge; Ma, Ning","Synthesis of Isoxazolo[5,4-b]pyridines by Microwave-Assisted Multi-Component Reactions in Water","Journal of Combinatorial Chemistry","2009","11","3","428","","10.1021/cc800212v","","","0.71073","MoKα","","0.0858","0.056","","","0.1294","0.1458","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503647","13.8513","0.0016","7.6116","0.0011","12.6732","0.0015","90","","95.592","0.001","90","","1329.8","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O4 -","- C16 H12 N2 O4 -","- C64 H48 N8 O16 -","4","1","","Tu, Shu-Jiang; Zhang, Xiao-Hong; Han, Zheng-Guo; Cao, Xu-Dong; Wu, Shan-Shan; Yan, Shu; Hao, Wen-Juan; Zhang, Ge; Ma, Ning","Synthesis of Isoxazolo[5,4-b]pyridines by Microwave-Assisted Multi-Component Reactions in Water","Journal of Combinatorial Chemistry","2009","11","3","428","","10.1021/cc800212v","","","0.71073","MoKα","","0.1284","0.0575","","","0.0806","0.0934","","","","","","1.025","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503648","8.0812","0.0006","20.3378","0.0016","11.4913","0.0008","90","","94.843","0.004","90","","1881.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O2 S -","- C24 H21 N O2 S -","- C96 H84 N4 O8 S4 -","4","1","","Wang, Xiang-Shan; Li, Qing; Wu, Jian-Rong; Tu, Shu-Jiang","Efficient Method for the Synthesis of Pyranoquinoline, Thiopyranoquinoline, Thienoquinoline, and Naphtho[2,7]naphthyridine Derivatives Catalyzed by Iodine","Journal of Combinatorial Chemistry","2009","11","3","433","","10.1021/cc900026x","","","0.71073","MoKα","","0.0961","0.0468","","","0.1153","0.131","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503649","28.2746","0.0006","7.6602","0.0002","7.6661","0.0002","90","","90","","90","","1660.39","0.07","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H17 N O S -","- C22 H17 N O S -","- C88 H68 N4 O4 S4 -","4","1","","Wang, Xiang-Shan; Li, Qing; Wu, Jian-Rong; Tu, Shu-Jiang","Efficient Method for the Synthesis of Pyranoquinoline, Thiopyranoquinoline, Thienoquinoline, and Naphtho[2,7]naphthyridine Derivatives Catalyzed by Iodine","Journal of Combinatorial Chemistry","2009","11","3","433","","10.1021/cc900026x","","","0.71073","MoKα","","0.0877","0.065","","","0.1955","0.214","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503650","11.3027","0.0003","11.7909","0.0004","12.2358","0.0004","84.75","0.002","72.521","0.002","63.339","0.002","1388.2","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Br N3 O3 -","- C30 H32 Br N3 O3 -","- C60 H64 Br2 N6 O6 -","2","1","","Wang, Xiang-Shan; Li, Qing; Wu, Jian-Rong; Tu, Shu-Jiang","Efficient Method for the Synthesis of Pyranoquinoline, Thiopyranoquinoline, Thienoquinoline, and Naphtho[2,7]naphthyridine Derivatives Catalyzed by Iodine","Journal of Combinatorial Chemistry","2009","11","3","433","","10.1021/cc900026x","","","0.71073","MoKα","","0.0971","0.0506","","","0.1318","0.1536","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503651","3.999","0.002","10.875","0.006","12.398","0.007","97.269","0.006","95.339","0.007","92.014","0.006","531.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N2 S -","- C13 H10 N2 S -","- C26 H20 N4 S2 -","2","1","","Ding, Qiuping; He, Xiaodan; Wu, Jie","Synthesis of 2-Aminobenzothiazole via Copper(I)-Catalyzed Tandem Reaction of 2-Iodobenzenamine with Isothiocyanate","Journal of Combinatorial Chemistry","2009","11","4","587","","10.1021/cc900027c","","","0.71073","MoKα","","0.0632","0.0501","","","0.1277","0.1406","","","","","","1.02","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1503652","9.153","0.003","11.9412","0.0007","12.0912","0.0016","114.907","0.009","93.676","0.018","94.575","0.014","1187.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 N4 O6 S -","- C25 H24 N4 O6 S -","- C50 H48 N8 O12 S2 -","2","1","","Dzhavakhishvili, Sergey G.; Gorobets, Nikolay Yu.; Shishkina, Svetlana V.; Shishkin, Oleg V.; Desenko, Sergey M.; Groth, Ulrich M.","Diversification of a Thieno[2,3-d]pyrimidin-4-one Scaffold via Regioselective Alkylation Reactions","Journal of Combinatorial Chemistry","2009","11","3","508","","10.1021/cc9000373","","","0.71073","MoKα","","0.062","0.0349","","","0.0843","0.0907","","","","","","0.893","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503653","9.2189","0.0015","12.5924","0.0017","14.1","0.002","64.634","0.002","81.467","0.003","69.027","0.002","1381","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 F2 N6 O5 -","- C26 H26 F2 N6 O5 -","- C52 H52 F4 N12 O10 -","2","1","","Jiang, Bo; Cao, Long-Ji; Tu, Shu-Jiang; Zheng, Wen-Rui; Yu, Hai-Zhu","Highly Diastereoselective Domino Synthesis of 6-Spirosubstituted Pyrido[2,3-d]pyrimidine Derivatives in Water","Journal of Combinatorial Chemistry","2009","11","4","612","","10.1021/cc900038g","","","0.71073","MoKα","","0.1526","0.0664","","","0.1072","0.1198","","","","","","1.002","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1503654","10.721","0.002","14.43","0.003","14.681","0.003","90","","91.134","0.004","90","","2270.8","0.8","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H17 F N4 -","- C27 H17 F N4 -","- C108 H68 F4 N16 -","4","1","","Wang, Xiang-Shan; Wu, Jian-Rong; Zhou, Jie; Tu, Shu-Jiang","Green Method for the Synthesis of Highly Substituted Cyclohexa-1,3-diene, Polyhydroindene, Polyhydronaphthalene, Isochromene, Isothiochromene, and Isoquinoline Derivatives in Ionic Liquids","Journal of Combinatorial Chemistry","2009","11","6","1011","","10.1021/cc9000482","","","0.71073","MoKα","","0.1139","0.0476","","","0.1005","0.1263","","","","","","0.99","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503655","30.9404","0.0004","9.1578","0.0001","16.8812","0.0002","90","","99.108","0.001","90","","4722.91","0.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H27 N5 O3 -","- C24 H27 N5 O3 -","- C192 H216 N40 O24 -","8","1","","Wang, Xiang-Shan; Wu, Jian-Rong; Zhou, Jie; Tu, Shu-Jiang","Green Method for the Synthesis of Highly Substituted Cyclohexa-1,3-diene, Polyhydroindene, Polyhydronaphthalene, Isochromene, Isothiochromene, and Isoquinoline Derivatives in Ionic Liquids","Journal of Combinatorial Chemistry","2009","11","6","1011","","10.1021/cc9000482","","","0.71073","MoKα","","0.0665","0.0477","","","0.1415","0.1587","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503656","16.7648","0.0005","9.245","0.0002","15.4532","0.0005","90","","114.316","0.002","90","","2182.63","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Cl2 N5 O2 -","- C21 H18 Cl2 N5 O2 -","- C84 H72 Cl8 N20 O8 -","4","1","","Wang, Xiang-Shan; Wu, Jian-Rong; Zhou, Jie; Tu, Shu-Jiang","Green Method for the Synthesis of Highly Substituted Cyclohexa-1,3-diene, Polyhydroindene, Polyhydronaphthalene, Isochromene, Isothiochromene, and Isoquinoline Derivatives in Ionic Liquids","Journal of Combinatorial Chemistry","2009","11","6","1011","","10.1021/cc9000482","","","0.71073","MoKα","","0.1014","0.063","","","0.1771","0.2008","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503657","9.1603","0.0019","18.484","0.004","14.556","0.003","90","","104.556","0.004","90","","2385.5","0.9","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Cl N4 -","- C28 H19 Cl N4 -","- C112 H76 Cl4 N16 -","4","1","","Wang, Xiang-Shan; Wu, Jian-Rong; Zhou, Jie; Tu, Shu-Jiang","Green Method for the Synthesis of Highly Substituted Cyclohexa-1,3-diene, Polyhydroindene, Polyhydronaphthalene, Isochromene, Isothiochromene, and Isoquinoline Derivatives in Ionic Liquids","Journal of Combinatorial Chemistry","2009","11","6","1011","","10.1021/cc9000482","","","0.71073","MoKα","","0.0945","0.0511","","","0.1209","0.1501","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503658","11.2726","0.0014","11.8903","0.0015","14.5544","0.0017","86.571","0.002","88.755","0.002","81.249","0.001","1924.5","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H15 N3 S -","- C23 H15 N3 S -","- C92 H60 N12 S4 -","4","2","","Jiang, Bo; Hao, Wen-Juan; Wang, Xiang; Shi, Feng; Tu, Shu-Jiang","Diversity-Oriented Synthesis of Kröhnke Pyridines","Journal of Combinatorial Chemistry","2009","11","5","846","","10.1021/cc900052b","","","0.71073","MoKα","","0.1233","0.0676","","","0.1736","0.1992","","","","","","1.07","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503659","8.7519","0.0003","16.8317","0.0005","25.6881","0.0008","90","","90","","90","","3784.1","0.2","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-Dibenzyl-6-(butylamino)-1,3,5-triazine-2,4(1H,3H)-dione","","- C21 H24 N4 O2 -","- C21 H24 N4 O2 -","- C168 H192 N32 O16 -","8","1","","Kong, Kah-Hoe; Tan, Chong-Kiat; Lam, Yulin","Traceless Solid-Phase Synthesis of 6-Amino- and 6-Hydroxyimino-1,3,5-triazine-2,4-diones and 1,3,5-Triazine-2,4,6-triones","Journal of Combinatorial Chemistry","2009","11","6","1050","","10.1021/cc900091e","","","0.71073","MoKα","","0.0807","0.0684","","","0.1681","0.1774","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503660","8.973","0.0005","8.3478","0.0005","28.1826","0.0015","90","","90","","90","","2111","0.2","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-(Hydroxyimino)-1-methyl-3-phenyl-1,3,5-triazine-2,4-dione","","- C10 H10 N4 O3 -","- C10 H10 N4 O3 -","- C80 H80 N32 O24 -","8","1","","Kong, Kah-Hoe; Tan, Chong-Kiat; Lam, Yulin","Traceless Solid-Phase Synthesis of 6-Amino- and 6-Hydroxyimino-1,3,5-triazine-2,4-diones and 1,3,5-Triazine-2,4,6-triones","Journal of Combinatorial Chemistry","2009","11","6","1050","","10.1021/cc900091e","","","0.71073","MoKα","","0.0814","0.0708","","","0.148","0.1529","","","","","","1.253","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503661","10.3181","0.0001","18.679","0.0003","11.1566","0.0002","90","","105.516","0.001","90","","2071.87","0.05","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O5 S -","- C23 H20 N2 O5 S -","- C92 H80 N8 O20 S4 -","4","1","","Shaabani, Ahmad; Ghadari, Rahim; Ghasemi, Sabrieh; Pedarpour, Milad; Rezayan, Ali Hossein; Sarvary, Afshin; Ng, Seik Weng","Novel One-Pot Three- and Pseudo-Five-Component Reactions: Synthesis of Functionalized Benzo[g]- and Dihydropyrano[2,3-g]chromene Derivatives","Journal of Combinatorial Chemistry","2009","11","6","956","","10.1021/cc900101w","","","0.71073","MoKα","","0.0418","0.0338","","","0.0898","0.0974","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503710","9.816","0.0005","18.6778","0.0009","21.7184","0.001","90","","90.068","0.001","90","","3981.9","0.3","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N -","- C27 H27 N -","- C216 H216 N8 -","8","2","","Fang, Zhen; Teo, Tang-Lin; Cai, Liping; Lai, Yee-Hing; Samoc, Anna; Samoc, Marek","Bridged triphenylamine-based dendrimers: tuning enhanced two-photon absorption performance with locked molecular planarity.","Organic letters","2009","11","1","1","4","10.1021/ol801238n","","","0.71073","MoKα","","0.1472","0.1234","","","0.2945","0.3063","","","","","","1.105","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503711","7.8078","0.001","8.5228","0.0011","10.9105","0.0014","103.226","0.002","94.638","0.002","104.258","0.002","677.72","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 O4 -","- C17 H14 O4 -","- C34 H28 O8 -","2","1","","Kim, Yongju; Kim, Jonghoon; Park, Seung Bum","Regioselective synthesis of tetrasubstituted pyrroles by 1,3-dipolar cycloaddition and spontaneous decarboxylation.","Organic letters","2009","11","1","17","20","10.1021/ol8022193","","","0.71073","MoKα","","0.059","0.0407","","","0.101","0.109","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503712","9.1208","0.0018","12.849","0.003","17.357","0.004","90","","90","","90","","2034.1","0.8","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 Br N2 O2 -","- C24 H19 Br N2 O2 -","- C96 H76 Br4 N8 O8 -","4","1","","Kim, Yongju; Kim, Jonghoon; Park, Seung Bum","Regioselective synthesis of tetrasubstituted pyrroles by 1,3-dipolar cycloaddition and spontaneous decarboxylation.","Organic letters","2009","11","1","17","20","10.1021/ol8022193","","","0.71073","MoKα","","0.0824","0.0482","","","0.0968","0.1081","","","","","","1.002","","","","has coordinates","211176","2020-10-21","18:00:00",""
"1503713","19.979","0.005","9.253","0.002","24.348","0.008","90","","111.914","0.005","90","","4176","2","293","2","293","2","","","","","","","","5","I 1 a 1","I -2ya","9","","","","- C24 H19 Br N2 O2 -","- C24 H19 Br N2 O2 -","- C192 H152 Br8 N16 O16 -","8","2","","Kim, Yongju; Kim, Jonghoon; Park, Seung Bum","Regioselective synthesis of tetrasubstituted pyrroles by 1,3-dipolar cycloaddition and spontaneous decarboxylation.","Organic letters","2009","11","1","17","20","10.1021/ol8022193","","","0.71073","MoKα","","0.1664","0.0643","","","0.1482","0.1643","","","","","","0.669","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503714","11.1848","0.0011","15.5317","0.0017","9.8946","0.0012","107.144","0.009","114.059","0.008","71.183","0.008","1458.9","0.3","298.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H44 O8 -","- C30 H44 O8 -","- C60 H88 O16 -","2","1","","Ogasawara, Masamichi; Okada, Atsushi; Nakajima, Kiyohiko; Takahashi, Tamotsu","Palladium-catalyzed synthesis of endocyclic allenes and their application in stereoselective [2 + 2]cycloaddition with ketenes.","Organic letters","2009","11","1","177","180","10.1021/ol802280c","","","1.54178","CuKα","","","0.0418","","","","0.0827","","","","","","1.355","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503715","10.1053","0.001","10.393","0.001","12.6745","0.0012","90","","90","","90","","1331.1","0.2","163","2","163","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H24 O4 -","- C13 H24 O4 -","- C52 H96 O16 -","4","1","","Ramirez, Armando P.; Thomas, Andrew M.; Woerpel, K. A.","Preparation of bicyclic 1,2,4-trioxanes from gamma,delta-unsaturated ketones.","Organic letters","2009","11","3","507","510","10.1021/ol8022853","","","0.71073","MoKα","","0.0348","0.0328","","","0.086","0.0888","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503716","7.0878","0.0004","21.6199","0.0013","9.7231","0.0006","90","","102.172","0.001","90","","1456.45","0.15","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O7 -","- C15 H17 N O7 -","- C60 H68 N4 O28 -","4","1","","Ramirez, Armando P.; Thomas, Andrew M.; Woerpel, K. A.","Preparation of bicyclic 1,2,4-trioxanes from gamma,delta-unsaturated ketones.","Organic letters","2009","11","3","507","510","10.1021/ol8022853","","","0.71073","MoKα","","0.0407","0.0347","","","0.0918","0.0962","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503717","11.159","0.002","15.012","0.003","11.545","0.002","90","","117.21","0.03","90","","1720","0.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 F3 N3 O2 S -","- C17 H16 F3 N3 O2 S -","- C68 H64 F12 N12 O8 S4 -","4","1","","Cummings, Christopher G.; Ross, Nathan T.; Katt, William P.; Hamilton, Andrew D.","Synthesis and biological evaluation of a 5-6-5 imidazole-phenyl-thiazole based alpha-helix mimetic.","Organic letters","2009","11","1","25","28","10.1021/ol8022962","","","0.71073","MoKα","","0.0971","0.0519","","","0.1302","0.1492","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503718","9.1374","0.0004","16.5065","0.0008","18.0121","0.0009","90","","90","","90","","2716.7","0.2","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","cis-(Dibromo)-[(2S,3S)-bis(diphenylphosphino)butane]-palladium(ii)","","- C28 H28 Br2 P2 Pd -","- C28 H28 Br2 P2 Pd -","- C112 H112 Br8 P8 Pd4 -","4","1","","Rubio-Pérez, Laura; Pérez-Flores, F Javier; Sharma, Pankaj; Velasco, Luis; Cabrera, Armando","Stable preformed chiral palladium catalysts for the one-pot asymmetric reductive amination of ketones.","Organic letters","2009","11","2","265","268","10.1021/ol802336m","","","0.71073","MoKα","","0.0408","0.034","","","0.0687","0.071","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503719","11.9124","0.0003","11.9124","0.0003","26.191","0.0013","90","","90","","90","","3716.6","0.2","298","2","298","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C44 H32 Br2 P2 Pd -","- C44 H32 Br2 P2 Pd -","- C176 H128 Br8 P8 Pd4 -","4","0.5","","Rubio-Pérez, Laura; Pérez-Flores, F Javier; Sharma, Pankaj; Velasco, Luis; Cabrera, Armando","Stable preformed chiral palladium catalysts for the one-pot asymmetric reductive amination of ketones.","Organic letters","2009","11","2","265","268","10.1021/ol802336m","","","0.71073","MoKα","","0.0354","0.0293","","","0.0567","0.0578","","","","","","0.936","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503720","10.773","0.006","11.224","0.006","19.641","0.01","105.078","0.008","101.351","0.008","96.175","0.008","2216","2","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H67 N9 O4 -","- C44 H67 N9 O4 -","- C88 H134 N18 O8 -","2","1","","Kuykendall, Darrell W.; Anderson, Cyrus A.; Zimmerman, Steven C.","Hydrogen-bonded DeUG x DAN heterocomplex: structure and stability and a scalable synthesis of DeUG with reactive functionality.","Organic letters","2009","11","1","61","64","10.1021/ol802344w","","","0.71073","MoKα","","0.1883","0.0656","","","0.1394","0.1853","","","","","","0.942","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503721","8.0384","0.0007","16.6403","0.0015","33.381","0.003","90","","90","","90","","4465.1","0.7","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H33 N5 O4 -","- C22 H33 N5 O4 -","- C176 H264 N40 O32 -","8","1","","Kuykendall, Darrell W.; Anderson, Cyrus A.; Zimmerman, Steven C.","Hydrogen-bonded DeUG x DAN heterocomplex: structure and stability and a scalable synthesis of DeUG with reactive functionality.","Organic letters","2009","11","1","61","64","10.1021/ol802344w","","","0.71073","MoKα","","0.1977","0.0618","","","0.1079","0.1533","","","","","","0.993","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1503722","6.1369","0.0012","16.452","0.003","17.008","0.003","90","","90","","90","","1717.2","0.6","150","1","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C80 H72 N8 O16 -","4","1","","Martins, Andrew; Lemouzy, Sébastien; Lautens, Mark","Bifunctional reactivity of Cu(I): sequential ring opening/N-arylation.","Organic letters","2009","11","1","181","183","10.1021/ol802357e","","","0.71073","MoKα","","0.0806","0.055","","","0.1332","0.1475","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503723","5.8184","0.0002","20.7156","0.001","14.5591","0.0006","90","","98.768","0.003","90","","1734.32","0.13","150","1","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N3 O6 -","- C17 H19 N3 O6 -","- C68 H76 N12 O24 -","4","1","","Martins, Andrew; Lemouzy, Sébastien; Lautens, Mark","Bifunctional reactivity of Cu(I): sequential ring opening/N-arylation.","Organic letters","2009","11","1","181","183","10.1021/ol802357e","","","0.71073","MoKα","","0.101","0.0498","","","0.1145","0.1386","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503724","8.357","0.0007","8.9262","0.0008","9.6862","0.0008","104.725","0.004","105.038","0.004","91.747","0.004","671.28","0.1","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 N2 O8 -","- C30 H32 N2 O8 -","- C30 H32 N2 O8 -","1","0.5","","Sánchez-García, David; Borrell, José I; Nonell, Santi","One-pot synthesis of substituted 2,2'-bipyrroles. A straightforward route to aryl porphycenes.","Organic letters","2009","11","1","77","79","10.1021/ol802380g","","","1.5418","CuKα","","0.086","0.0791","","0.1357","0.1329","0.1357","","","","","","1.1673","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503725","10.483","0.005","7.23","0.004","13.081","0.006","90","","107.27","0.04","90","","946.7","0.8","93.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 F3 N2 O2 S -","- C7 H7 F3 N2 O2 S -","- C28 H28 F12 N8 O8 S4 -","4","1","","Ochiai, Masahito; Kawano, Yufuko; Kaneaki, Takao; Tada, Norihiro; Miyamoto, Kazunori","Direct transfer of the sulfonylimino group of imino-lambda3-bromane to N-heterocycles and trialkylamines: synthesis of N-iminoammonium ylides under metal-free conditions.","Organic letters","2009","11","2","281","284","10.1021/ol802383f","","","0.71075","MoKα","","","0.0415","","","","0.1522","","","","","","1.195","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503726","6.808","0.003","9.009","0.003","10.357","0.004","65.29","0.03","81.76","0.03","66.58","0.03","529.3","0.4","93.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H7 F3 N2 O2 S -","- C10 H7 F3 N2 O2 S -","- C20 H14 F6 N4 O4 S2 -","2","1","","Ochiai, Masahito; Kawano, Yufuko; Kaneaki, Takao; Tada, Norihiro; Miyamoto, Kazunori","Direct transfer of the sulfonylimino group of imino-lambda3-bromane to N-heterocycles and trialkylamines: synthesis of N-iminoammonium ylides under metal-free conditions.","Organic letters","2009","11","2","281","284","10.1021/ol802383f","","","0.71075","MoKα","","","0.0332","","","","0.088","","","","","","1.008","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503727","18.367","0.004","21.913","0.004","23.727","0.005","76.289","0.003","78.954","0.003","65.989","0.003","8426","3","140","2","140","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C50 H53 Br N2 O4 -","- C49.9398 H52.8193 Br0.9375 N2 O3.93975 -","- C399.518 H422.554 Br7.5 N16 O31.518 -","8","4","","Zhang, Zhenjun; Ferrence, Gregory M.; Lash, Timothy D.","adj-Diazuliporphyrins, a new family of dicarbaporphyrinoids with unprecedented mesoionic characteristics.","Organic letters","2009","11","1","101","104","10.1021/ol802406f","","x-ray","0.71073","MoKα","","0.4051","0.1696","","","0.4109","0.5022","","","","","","1.138","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1503728","14.6447","0.0017","14.9621","0.0017","18.886","0.002","93.9934","0.0017","109.874","0.002","90.8206","0.0017","3879.1","0.8","173","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C46.6 H46.6 Cl1.8 N2 Pd -","- C46 H46 N2 Pd -","- C184 H184 N8 Pd4 -","4","2","","Zhang, Zhenjun; Ferrence, Gregory M.; Lash, Timothy D.","adj-Diazuliporphyrins, a new family of dicarbaporphyrinoids with unprecedented mesoionic characteristics.","Organic letters","2009","11","1","101","104","10.1021/ol802406f","","x-ray","0.71073","MoKα","","","0.0626","","","","0.171","","","","","","1.06","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1503729","15.176","0.006","22.472","0.009","22.477","0.008","70.58","0.009","79.743","0.013","89.96","0.013","7100","5","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 N O3 P S -","- C26 H26 N O3 P S -","- C312 H312 N12 O36 P12 S12 -","12","6","","Meng, Xiangtai; Huang, You; Chen, Ruyu","Bifunctional phosphine-catalyzed domino reaction: highly stereoselective synthesis of cis-2,3-dihydrobenzofurans from salicyl N-thiophosphinyl imines and allenes.","Organic letters","2009","11","1","137","140","10.1021/ol802453c","","","0.7107","MoKα","","0.2833","0.071","","","0.1303","0.2329","","","","","","0.954","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503730","9.291","0.003","23.68","0.007","11.16","0.004","90","","106.733","0.004","90","","2351.4","1.3","113","2","113","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H23 Br N O3 P S -","- C25 H23 Br N O3 P S -","- C100 H92 Br4 N4 O12 P4 S4 -","4","2","","Meng, Xiangtai; Huang, You; Chen, Ruyu","Bifunctional phosphine-catalyzed domino reaction: highly stereoselective synthesis of cis-2,3-dihydrobenzofurans from salicyl N-thiophosphinyl imines and allenes.","Organic letters","2009","11","1","137","140","10.1021/ol802453c","","","0.7107","MoKα","","0.0606","0.0428","","","0.0749","0.0832","","","","","","0.914","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503731","11.549","0.003","13.094","0.003","14.467","0.003","90","","90","","90","","2187.7","0.9","294","2","294","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 N O P S -","- C23 H24 N O P S -","- C92 H96 N4 O4 P4 S4 -","4","1","","Meng, Xiangtai; Huang, You; Chen, Ruyu","Bifunctional phosphine-catalyzed domino reaction: highly stereoselective synthesis of cis-2,3-dihydrobenzofurans from salicyl N-thiophosphinyl imines and allenes.","Organic letters","2009","11","1","137","140","10.1021/ol802453c","","","0.71073","MoKα","","0.0615","0.04","","","0.0957","0.1082","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503732","15.176","0.006","7.49","0.003","21.198","0.008","90","","100.869","0.015","90","","2366.3","1.6","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N O3 P S -","- C26 H26 N O3 P S -","- C104 H104 N4 O12 P4 S4 -","4","1","","Meng, Xiangtai; Huang, You; Chen, Ruyu","Bifunctional phosphine-catalyzed domino reaction: highly stereoselective synthesis of cis-2,3-dihydrobenzofurans from salicyl N-thiophosphinyl imines and allenes.","Organic letters","2009","11","1","137","140","10.1021/ol802453c","","","0.7107","MoKα","","0.1005","0.0607","","","0.133","0.1576","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503733","6.4397","0.0002","15.3604","0.0004","31.2247","0.001","90","","90","","90","","3088.63","0.16","123","2","123","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O5 -","- C15 H24 O5 -","- C120 H192 O40 -","8","2","","Zheng, Yongbiao; Shen, Yuemao","Clavicorolides A and B, sesquiterpenoids from the fermentation products of edible fungus Clavicorona pyxidata.","Organic letters","2009","11","1","109","112","10.1021/ol8024549","","","0.71073","MoKα","","0.0432","0.0363","","","0.0838","0.086","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503734","7.6492","0.0018","11.685","0.003","23.902","0.006","90","","90","","90","","2136.4","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 Br O6 -","- C22 H24 Br O6 -","- C88 H96 Br4 O24 -","4","1","","Zheng, Yongbiao; Shen, Yuemao","Clavicorolides A and B, sesquiterpenoids from the fermentation products of edible fungus Clavicorona pyxidata.","Organic letters","2009","11","1","109","112","10.1021/ol8024549","","","0.71073","MoKα","","0.0821","0.0498","","","0.0863","0.0929","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503735","9.0642","0.0007","10.2306","0.0007","10.1873","0.0007","113.734","0.005","100.374","0.003","111.086","0.002","746.24","0.11","173","2","173","2","","","","","","","","2","P -1","-P 1","2","","","","- C44 H32 -","- C44 H32 -","- C44 H32 -","1","0.5","","Toyota, Shinji; Onishi, Hiroyuki; Kawai, Yoshihiro; Morimoto, Takaaki; Miyahara, Hiroaki; Iwanaga, Tetsuo; Wakamatsu, Kan","Stereogenic motif consisting of rigid ring and intraannular chains: isolation and structures of stereoisomers of 9-alkyl-1,8-anthrylene-butadiynylene cyclic dimers.","Organic letters","2009","11","2","321","324","10.1021/ol802488z","","","0.71069","MoKα","","0.0638","0.0617","","","0.1673","0.1703","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503736","11.1772","0.0007","11.9076","0.0014","13.265","0.003","72.87","0.012","72.915","0.014","68.027","0.009","1530.7","0.4","113","2","113","2","","","","","","","","2","P -1","-P 1","2","","","","- C44 H32 -","- C44 H32 -","- C88 H64 -","2","1","","Toyota, Shinji; Onishi, Hiroyuki; Kawai, Yoshihiro; Morimoto, Takaaki; Miyahara, Hiroaki; Iwanaga, Tetsuo; Wakamatsu, Kan","Stereogenic motif consisting of rigid ring and intraannular chains: isolation and structures of stereoisomers of 9-alkyl-1,8-anthrylene-butadiynylene cyclic dimers.","Organic letters","2009","11","2","321","324","10.1021/ol802488z","","","0.71069","MoKα","","0.1319","0.0586","","","0.1035","0.1344","","","","","","0.951","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503737","16.753","0.004","17.878","0.005","18.941","0.007","90","","90","","90","","5673","3","123","2","123","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C42 H28 -","- C42 H28 -","- C336 H224 -","8","1","","Toyota, Shinji; Onishi, Hiroyuki; Kawai, Yoshihiro; Morimoto, Takaaki; Miyahara, Hiroaki; Iwanaga, Tetsuo; Wakamatsu, Kan","Stereogenic motif consisting of rigid ring and intraannular chains: isolation and structures of stereoisomers of 9-alkyl-1,8-anthrylene-butadiynylene cyclic dimers.","Organic letters","2009","11","2","321","324","10.1021/ol802488z","","","0.71075","MoKα","","0.1694","0.0651","","","0.1264","0.1628","","","","","","0.98","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503738","17.9117","0.0006","17.9117","0.0006","17.9117","0.0006","90","","90","","90","","5746.6","0.3","150","1","150","1","","","","","","","","5","I 21 3","I 2b 2c 3","199","","","","- C42 H96 Cl8 N6 O2 -","- C42 H96 Cl8 N6 O2 -","- C168 H384 Cl32 N24 O8 -","4","0.166667","","Kim, Hyunwoo; Staikova, Mima; Lough, Alan J.; Chin, Jik","Stereospecific synthesis of alkyl-substituted vicinal diamines from the mother diamine: overcoming the ""intrinsic barrier"" to the diaza-Cope rearrangement reaction.","Organic letters","2009","11","1","157","160","10.1021/ol802496r","","","0.71073","MoKα","","0.0705","0.0468","","","0.1041","0.1177","","","","","","1.022","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1503739","5.9303","0.0003","10.3195","0.0007","39.85","0.003","90","","90","","90","","2438.7","0.3","150","1","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H36 N2 O2 -","- C28 H36 N2 O2 -","- C112 H144 N8 O8 -","4","1","","Kim, Hyunwoo; Staikova, Mima; Lough, Alan J.; Chin, Jik","Stereospecific synthesis of alkyl-substituted vicinal diamines from the mother diamine: overcoming the ""intrinsic barrier"" to the diaza-Cope rearrangement reaction.","Organic letters","2009","11","1","157","160","10.1021/ol802496r","","","0.71073","MoKα","","0.0799","0.0514","","","0.1223","0.1411","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503740","9.7907","0.0001","18.3356","0.0002","22.0661","0.0002","90","","90","","90","","3961.27","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N2 O2 -","- C22 H28 N2 O2 -","- C176 H224 N16 O16 -","8","2","","Kim, Hyunwoo; Staikova, Mima; Lough, Alan J.; Chin, Jik","Stereospecific synthesis of alkyl-substituted vicinal diamines from the mother diamine: overcoming the ""intrinsic barrier"" to the diaza-Cope rearrangement reaction.","Organic letters","2009","11","1","157","160","10.1021/ol802496r","","","1.54178","CuKα","","0.0251","0.0246","","","0.0648","0.0653","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503741","11.3462","0.001","20.7132","0.0017","24.828","0.002","90","","90","","90","","5835","0.8","90","","90","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C66 H80 N4 O12 -","- C66 H80 N4 O12 -","- C264 H320 N16 O48 -","4","1","","Nagase, Hiroshi; Watanabe, Akio; Harada, Masaya; Nakajima, Mayumi; Hasebe, Ko; Mochizuki, Hidenori; Yoza, Kenji; Fujii, Hideaki","Novel synthesis of a 1,3,5-trioxazatriquinane skeleton using a nitrogen clamp.","Organic letters","2009","11","3","539","542","10.1021/ol8024988","","","0.71073","MoKα","","0.0903","0.0512","","","0.1011","0.1153","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503742","8.5959","0.0005","11.3682","0.0004","8.9482","0.0005","90","","117.021","0.003","90","","778.97","0.07","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H22 O3 S -","- C17 H22 O3 S -","- C34 H44 O6 S2 -","2","1","","Mollat du Jourdin, Xavier; Noshi, Mohammad; Fuchs, P. L.","Designer discodermolide segments via ozonolysis of vinyl phosphonates.","Organic letters","2009","11","3","543","546","10.1021/ol802503h","","","0.71073","MO-Kα","","0.035","0.031","","","0.073","0.075","","","","","","1.091","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503743","12.5345","0.0015","13.0337","0.0015","24.721","0.003","90","","98.251","0.002","90","","3996.9","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cl N O3 -","- C22 H22 Cl N O3 -","- C176 H176 Cl8 N8 O24 -","8","2","","Cheng, Xin; Liang, Fushun; Shi, Fan; Zhang, Lei; Liu, Qun","One-pot tandem double-aldol reaction/aza-addition of acetylacetamides and o-phthalaldehyde leading to spiroindan-2,2'-pyrrolidines.","Organic letters","2009","11","1","93","96","10.1021/ol802507y","","","0.71073","MoKα","","0.1201","0.0817","","","0.2066","0.2302","","","","","","1.194","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503744","20.435","0.0013","20.435","","28.385","0.0019","90","","90","","90","","11853.3","1.1","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C32 H33 N O6 -","- C32 H29 N O6 -","- C512 H464 N16 O96 -","16","1","","Cheng, Xin; Liang, Fushun; Shi, Fan; Zhang, Lei; Liu, Qun","One-pot tandem double-aldol reaction/aza-addition of acetylacetamides and o-phthalaldehyde leading to spiroindan-2,2'-pyrrolidines.","Organic letters","2009","11","1","93","96","10.1021/ol802507y","","","0.71069","MoKα","","0.1066","0.0739","","","0.1783","0.2001","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503745","6.2462","0.0001","10.9131","0.0003","21.5977","0.0006","89.2207","0.0011","85.5827","0.0013","81.5275","0.0013","1451.82","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H32 N4 O3 -","- C35 H32 N4 O3 -","- C70 H64 N8 O6 -","2","1","","Scheffelaar, Rachel; Paravidino, Monica; Muilwijk, Daan; Lutz, Martin; Spek, Anthony L.; de Kanter, Frans J. J.; Orru, Romano V. A.; Ruijter, Eelco","A novel three-component reaction toward dihydrooxazolopyridines.","Organic letters","2009","11","1","125","128","10.1021/ol802515v","","","0.71073","MoKα","","0.0924","0.0516","","","0.1039","0.1189","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503746","9.4102","0.0007","10.0875","0.0008","11.9042","0.0009","92.665","0.002","100.089","0.002","106.574","0.001","1060.73","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 N O4 -","- C26 H25 N O4 -","- C52 H50 N2 O8 -","2","1","","Murarka, Sandip; Zhang, Chen; Konieczynska, Marlena D.; Seidel, Daniel","Lewis acid catalyzed formation of tetrahydroquinolines via an intramolecular redox process.","Organic letters","2009","11","1","129","132","10.1021/ol802519r","","","0.71073","MoKα","","0.0742","0.0586","","","0.1335","0.1427","","","","","","1.002","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503747","14.3528","0.0007","15.0877","0.0007","15.1959","0.0006","90","","90","","90","","3290.7","0.3","193","2","193","2","","","","","","","chemical synthesis","5","P 21 21 21","P 2ac 2ab","19","JYW02157","Dichloro(6-methyl-2-((α-methyl)benzyliminomethyl)pyridine-N,N')iron(II)","","- C15 H16 Cl2 Fe N2 -","- C15 H16 Cl2 Fe N2 -","- C120 H128 Cl16 Fe8 N16 -","8","2","","Moreau, Benoît; Wu, Jessica Y.; Ritter, Tobias","Iron-catalyzed 1,4-addition of alpha-olefins to dienes.","Organic letters","2009","11","2","337","339","10.1021/ol802524r","","","0.71073","MoKα","","0.0944","0.0464","","","0.0849","0.1029","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503748","12.596","0.003","17.629","0.004","20.182","0.003","90","","90","","90","","4481.5","1.6","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H28 N O5 P S -","- C22 H28 N O5 P S -","- C176 H224 N8 O40 P8 S8 -","8","1","","Shintani, Ryo; Murakami, Masataka; Hayashi, Tamio","Stereoselective synthesis of nipecotic acid derivatives via palladium-catalyzed decarboxylative cyclization of gamma-methylidene-delta-valerolactones with imines.","Organic letters","2009","11","2","457","459","10.1021/ol802569q","","","0.71075","MoKα","","0.059","0.0484","","","0.1265","0.1321","","","","","","1.037","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503749","10.7995","0.0007","17.4049","0.0012","22.8146","0.0016","90","","90","","90","","4288.3","0.5","115","2","115","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C51 H63 N3 O -","- C51 H63 N3 O -","- C204 H252 N12 O4 -","4","1","","Simonovic, Stevan; Frison, Jean-Cédric; Koyuncu, Hasan; Whitwood, Adrian C.; Douthwaite, Richard E.","Addition of N-heterocyclic carbenes to imines: phenoxide assisted deprotonation of an imidazolium moiety and generation of breslow intermediates derived from imines.","Organic letters","2009","11","1","245","247","10.1021/ol802572n","","","0.71073","MoKα","","0.0698","0.0475","","","0.0887","0.0972","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503750","9.53356","0.00012","8.72657","0.0001","13.20228","0.00016","90","","91.5371","0.0011","90","","1097.97","0.02","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H28 N4 O3 -","- C25 H28 N4 O3 -","- C50 H56 N8 O6 -","2","1","","Simonovic, Stevan; Frison, Jean-Cédric; Koyuncu, Hasan; Whitwood, Adrian C.; Douthwaite, Richard E.","Addition of N-heterocyclic carbenes to imines: phenoxide assisted deprotonation of an imidazolium moiety and generation of breslow intermediates derived from imines.","Organic letters","2009","11","1","245","247","10.1021/ol802572n","","","1.5418","CuKα","","0.032","0.0298","","","0.0741","0.084","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503751","12.131","0.0009","8.3322","0.0006","16.6628","0.0012","90","","107.938","0.002","90","","1602.4","0.2","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 B F4 N3 -","- C15 H20 B F4 N3 -","- C60 H80 B4 F16 N12 -","4","1","","Simonovic, Stevan; Frison, Jean-Cédric; Koyuncu, Hasan; Whitwood, Adrian C.; Douthwaite, Richard E.","Addition of N-heterocyclic carbenes to imines: phenoxide assisted deprotonation of an imidazolium moiety and generation of breslow intermediates derived from imines.","Organic letters","2009","11","1","245","247","10.1021/ol802572n","","","0.71073","MoKα","","0.0583","0.0434","","","0.107","0.1152","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503752","11.5544","0.0007","14.9444","0.0009","17.0869","0.001","103.938","0.001","107.235","0.001","99.474","0.001","2644.9","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H50 Cl3 Ir N4 O2 S4 -","- C56 H50 Cl3 Ir N4 O2 S4 -","- C112 H100 Cl6 Ir2 N8 O4 S8 -","2","1","","Tan, Wenjuan; Zhang, Qiong; Zhang, Junji; Tian, He","Near-infrared photochromic diarylethene iridium (III) complex.","Organic letters","2009","11","1","161","164","10.1021/ol802580m","","","0.71073","MoKα","","0.0595","0.0526","","","0.1333","0.1364","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503753","10.3952","0.001","10.8758","0.0011","16.4618","0.0016","90","","93.302","0.001","90","","1858","0.3","103","","103","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H19 Cl N3 O Rh -","- C20 H19 Cl N3 O Rh -","- C80 H76 Cl4 N12 O4 Rh4 -","4","1","","Rosenberg, Marianne Lenes; Krivokapic, Alexander; Tilset, Mats","Highly cis-selective cyclopropanations with ethyl diazoacetate using a novel Rh(I) catalyst with a chelating N-heterocyclic iminocarbene ligand.","Organic letters","2009","11","3","547","550","10.1021/ol802591j","","","0.71073","MoKα","","0.0418","0.0282","","0.0363","0.0311","0.0296","","","","","","1.0973","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503754","16.428","0.002","6.3139","0.0008","18.813","0.002","90","","106.092","0.002","90","","1874.9","0.4","90","1","90","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 Cl O -","- C22 H21 Cl O -","- C88 H84 Cl4 O4 -","4","2","","Denton, Justin R.; Davies, Huw M. L.","Enantioselective reactions of donor/acceptor carbenoids derived from alpha-aryl-alpha-diazoketones.","Organic letters","2009","11","4","787","790","10.1021/ol802614j","","","0.71073","MoKα","","0.0498","0.0342","","","0.0816","0.0899","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503755","20.6795","0.0012","21.847","0.0008","15.223","0.0007","90","","101.267","0.005","90","","6745","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C128 H190 F24 N8 O18 P4 -","- C128 H190 F24 N8 O18 P4 -","- C256 H380 F48 N16 O36 P8 -","2","0.5","","Chuang, Chun-Ju; Li, Wan-Sheung; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Chao, Ito; Chiu, Sheng-Hsien","A molecular cage-based [2]rotaxane that behaves as a molecular muscle.","Organic letters","2009","11","2","385","388","10.1021/ol802648h","","","1.54184","CuKα","","0.1167","0.0627","","","0.1604","0.1822","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503756","7.6126","0.0003","8.8251","0.0003","8.951","0.0004","71.693","0.001","87.453","0.002","78.227","0.002","558.78","0.04","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C24 H32 O8 -","2","1","","Yu, Binxun; Jiang, Tuo; Quan, Weiguo; Li, Junpeng; Pan, Xinfu; She, Xuegong","An efficient method for construction of the angularly fused 6,3,5-tricyclic skeleton of mycorrhizin A and its analogues.","Organic letters","2009","11","3","629","632","10.1021/ol8026895","","","0.71073","MoKα","","0.0515","0.0474","","","0.1394","0.144","","","","","","0.88","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503757","14.751","0.011","6.363","0.005","19.945","0.011","90","","127.43","0.04","90","","1487","2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 O6 -","- C15 H22 O6 -","- C60 H88 O24 -","4","1","","Yu, Binxun; Jiang, Tuo; Quan, Weiguo; Li, Junpeng; Pan, Xinfu; She, Xuegong","An efficient method for construction of the angularly fused 6,3,5-tricyclic skeleton of mycorrhizin A and its analogues.","Organic letters","2009","11","3","629","632","10.1021/ol8026895","","","0.71073","MoKα","","0.1374","0.1142","","","0.2845","0.3222","","","","","","1.132","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503758","9.3395","0.0005","10.0113","0.0006","26.2699","0.0015","90","","95.589","0.003","90","","2444.6","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C55 H67 N5 O5 -","- C55 H67 N5 O5 -","- C110 H134 N10 O10 -","2","1","","Han, Chong; Rangarajan, Sathish; Voukides, Alicia C.; Beeler, Aaron B.; Johnson, Richard; Porco, Jr, John A","Reaction discovery employing macrocycles: transannular cyclizations of macrocyclic bis-lactams.","Organic letters","2009","11","2","413","416","10.1021/ol802729f","","","0.71073","MoKα","","0.0569","0.0409","","","0.0888","0.0962","","","","","","1.004","","","","has coordinates","287880","2023-11-30","10:41:12",""
"1503759","7.2454","0.0005","10.8673","0.0006","13.585","0.0009","90","","93.327","0.004","90","","1067.85","0.12","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H30 N2 O2 -","- C26 H30 N2 O2 -","- C52 H60 N4 O4 -","2","1","","Han, Chong; Rangarajan, Sathish; Voukides, Alicia C.; Beeler, Aaron B.; Johnson, Richard; Porco, Jr, John A","Reaction discovery employing macrocycles: transannular cyclizations of macrocyclic bis-lactams.","Organic letters","2009","11","2","413","416","10.1021/ol802729f","","","0.71073","MoKα","","0.0443","0.0359","","","0.0874","0.0927","","","","","","1.052","","","","has coordinates","287880","2023-11-30","10:41:15",""
"1503760","10.3629","0.0019","14.474","0.003","15.641","0.003","90","","90","","90","","2346","0.8","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H34 N2 O2 -","- C28 H34 N2 O2 -","- C112 H136 N8 O8 -","4","1","","Han, Chong; Rangarajan, Sathish; Voukides, Alicia C.; Beeler, Aaron B.; Johnson, Richard; Porco, Jr, John A","Reaction discovery employing macrocycles: transannular cyclizations of macrocyclic bis-lactams.","Organic letters","2009","11","2","413","416","10.1021/ol802729f","","","0.71073","MoKα","","0.0718","0.0498","","","0.1118","0.1237","","","","","","0.927","","","","has coordinates","287880","2023-11-30","10:41:25",""
"1503761","29.9907","0.0003","29.9907","0.0003","9.3564","0.0002","90","","90","","120","","7288.07","0.19","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C17 H20 Br N O -","- C17 H20 Br N O -","- C306 H360 Br18 N18 O18 -","18","1","","Yang, Yong-Sheng; Shen, Zhi-Liang; Loh, Teck-Peng","Indium (zinc)-copper-mediated Barbier-type alkylation reaction of nitrones in water: synthesis of amines and hydroxylamines.","Organic letters","2009","11","6","1209","1212","10.1021/ol8027362","","","0.71073","MoKα","","0.0747","0.0589","","","0.1666","0.1732","","","","","","1.184","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503762","29.6684","0.0003","29.6684","0.0003","9.2429","0.0003","90","","90","","120","","7045.7","0.2","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C17 H20 Cl N O -","- C17 H20 Cl N O -","- C306 H360 Cl18 N18 O18 -","18","1","","Yang, Yong-Sheng; Shen, Zhi-Liang; Loh, Teck-Peng","Indium (zinc)-copper-mediated Barbier-type alkylation reaction of nitrones in water: synthesis of amines and hydroxylamines.","Organic letters","2009","11","6","1209","1212","10.1021/ol8027362","","","0.71073","MoKα","","0.0599","0.0415","","","0.1074","0.1191","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503763","5.996","0.002","24.823","0.009","12.835","0.005","90","","102.088","0.006","90","","1868","1.2","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 Br O3 -","- C21 H21 Br O3 -","- C84 H84 Br4 O12 -","4","2","","Kaeobamrung, Juthanat; Bode, Jeffrey W.","Stereodivergency of triazolium and imidazolium-derived NHCs for catalytic, enantioselective cyclopentane synthesis.","Organic letters","2009","11","3","677","680","10.1021/ol802739d","","","0.71073","MoKα","","0.3614","0.0644","","","0.1063","0.1368","","","","","","0.604","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503764","6.108","0.002","17.021","0.006","17.923","0.007","90","","90","","90","","1863.4","1.2","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Br O3 -","- C21 H21 Br O3 -","- C84 H84 Br4 O12 -","4","1","","Kaeobamrung, Juthanat; Bode, Jeffrey W.","Stereodivergency of triazolium and imidazolium-derived NHCs for catalytic, enantioselective cyclopentane synthesis.","Organic letters","2009","11","3","677","680","10.1021/ol802739d","","","0.71073","MoKα","","0.2082","0.0568","","","0.1177","0.155","","","","","","0.778","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503765","6.843","0.003","15.583","0.007","17.024","0.007","90","","90","","90","","1815.3","1.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Br O5 -","- C18 H21 Br O5 -","- C72 H84 Br4 O20 -","4","1","","Kaeobamrung, Juthanat; Bode, Jeffrey W.","Stereodivergency of triazolium and imidazolium-derived NHCs for catalytic, enantioselective cyclopentane synthesis.","Organic letters","2009","11","3","677","680","10.1021/ol802739d","","","0.71073","MoKα","","0.2654","0.0673","","","0.1332","0.1715","","","","","","0.756","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503766","6.9519","0.0007","9.6821","0.001","27.119","0.003","90","","90","","90","","1825.4","0.3","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Br O5 -","- C18 H21 Br O5 -","- C72 H84 Br4 O20 -","4","1","","Kaeobamrung, Juthanat; Bode, Jeffrey W.","Stereodivergency of triazolium and imidazolium-derived NHCs for catalytic, enantioselective cyclopentane synthesis.","Organic letters","2009","11","3","677","680","10.1021/ol802739d","","","0.71073","MoKα","","0.0456","0.039","","","0.1036","0.1088","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503767","8.0126","0.001","9.7287","0.0011","12.6512","0.0012","90","","91.24","0.005","90","","985.96","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N S2 -","- C10 H11 N S2 -","- C40 H44 N4 S8 -","4","1","","Kaeothip, Sophon; Pornsuriyasak, Papapida; Rath, Nigam P.; Demchenko, Alexei V.","Unexpected orthogonality of S-benzoxazolyl and S-thiazolinyl glycosides: application to expeditious oligosaccharide assembly.","Organic letters","2009","11","4","799","802","10.1021/ol802740b","","","0.71073","MoKα","","0.0327","0.0301","","","0.0781","0.0799","","","","","","1.057","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503768","4.6217","0.0003","11.4672","0.0006","21.6268","0.0012","90","","90","","90","","1146.18","0.11","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N O S -","- C14 H11 N O S -","- C56 H44 N4 O4 S4 -","4","1","","Kaeothip, Sophon; Pornsuriyasak, Papapida; Rath, Nigam P.; Demchenko, Alexei V.","Unexpected orthogonality of S-benzoxazolyl and S-thiazolinyl glycosides: application to expeditious oligosaccharide assembly.","Organic letters","2009","11","4","799","802","10.1021/ol802740b","","","0.71073","MoKα","","0.0366","0.0322","","","0.0745","0.0766","","","","","","1.033","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503769","8.5973","0.001","13.7008","0.0016","15.9798","0.0019","90","","105.287","0.002","90","","1815.7","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 F Si -","- C19 H25 F Si -","- C76 H100 F4 Si4 -","4","1","","Landelle, Grégory; Champagne, Pier Alexandre; Barbeau, Xavier; Paquin, Jean-François","Stereocontrolled approach to bromofluoroalkenes and their use for the synthesis of tri- and tetrasubstituted fluoroalkenes.","Organic letters","2009","11","3","681","684","10.1021/ol8027412","","","0.71073","MoKα","","0.1305","0.0621","","","0.1385","0.1635","","","","","","1.197","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503770","8.357","0.003","19.249","0.008","7.358","0.003","90","","101.653","0.004","90","","1159.2","0.8","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Br F -","- C12 H14 Br F -","- C48 H56 Br4 F4 -","4","1","","Landelle, Grégory; Champagne, Pier Alexandre; Barbeau, Xavier; Paquin, Jean-François","Stereocontrolled approach to bromofluoroalkenes and their use for the synthesis of tri- and tetrasubstituted fluoroalkenes.","Organic letters","2009","11","3","681","684","10.1021/ol8027412","","","0.71073","MoKα","","0.1004","0.0626","","","0.1473","0.1659","","","","","","1.149","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503771","9.1318","0.0005","12.3053","0.0007","17.1245","0.001","90","","93.359","0.001","90","","1920.97","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O3 S -","- C24 H21 N O3 S -","- C96 H84 N4 O12 S4 -","4","1","","Jayanth, Thiruvellore Thatai; Zhang, Lei; Johnson, Thomas S.; Malinakova, Helena C.","Sequential Cu(I)/Pd(0)-catalyzed multicomponent coupling and annulation protocol for the synthesis of indenoisoquinolines.","Organic letters","2009","11","4","815","818","10.1021/ol802755z","","","0.71073","MoKα","","0.0462","0.0411","","","0.1087","0.1124","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503772","10.1531","0.0005","23.5585","0.0011","9.4532","0.0004","90","","101.643","0.001","90","","2214.6","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H25 N O2 -","- C30 H25 N O2 -","- C120 H100 N4 O8 -","4","1","","Jayanth, Thiruvellore Thatai; Zhang, Lei; Johnson, Thomas S.; Malinakova, Helena C.","Sequential Cu(I)/Pd(0)-catalyzed multicomponent coupling and annulation protocol for the synthesis of indenoisoquinolines.","Organic letters","2009","11","4","815","818","10.1021/ol802755z","","","0.71073","MoKα","","0.0487","0.0429","","","0.1183","0.1215","","","","","","1.069","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1503773","9.5541","0.0017","10.3489","0.0019","10.431","0.002","85.898","0.002","79.88","0.003","78.751","0.003","995.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H19 N O S -","- C27 H19 N O S -","- C54 H38 N2 O2 S2 -","2","1","","Jayanth, Thiruvellore Thatai; Zhang, Lei; Johnson, Thomas S.; Malinakova, Helena C.","Sequential Cu(I)/Pd(0)-catalyzed multicomponent coupling and annulation protocol for the synthesis of indenoisoquinolines.","Organic letters","2009","11","4","815","818","10.1021/ol802755z","","","0.71073","MoKα","","0.0602","0.0554","","","0.1456","0.1495","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503774","7.2689","0.0015","7.8204","0.0016","15.025","0.003","103.85","0.03","99.4","0.03","92.57","0.03","815","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H19 F3 N2 O5 S -","- C14 H19 F3 N2 O5 S -","- C28 H38 F6 N4 O10 S2 -","2","1","","Jones, Raymond C. F.; Yau, Sze Chak; Iley, James N.; Smith, Janet E.; Dickson, James; Elsegood, Mark R. J.; McKee, Vickie; Coles, Simon J.","Synthesis of the pyoverdin chromophore by a biomimetic oxidative cyclization.","Organic letters","2009","11","7","1519","1522","10.1021/ol802804c","","","0.71073","MoKα","","0.1347","0.0613","","","0.1305","0.1594","","","","","","0.96","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503775","10.3397","0.0008","17.5817","0.0014","10.951","0.0009","90","","114.243","0.002","90","","1815.2","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 F3 N2 O5 S -","- C15 H21 F3 N2 O5 S -","- C60 H84 F12 N8 O20 S4 -","4","1","","Jones, Raymond C. F.; Yau, Sze Chak; Iley, James N.; Smith, Janet E.; Dickson, James; Elsegood, Mark R. J.; McKee, Vickie; Coles, Simon J.","Synthesis of the pyoverdin chromophore by a biomimetic oxidative cyclization.","Organic letters","2009","11","7","1519","1522","10.1021/ol802804c","","","0.71073","MoKα","","0.0899","0.054","","","0.1143","0.1386","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503776","7.7502","0.001","10.3944","0.0014","19.814","0.003","90","","101.093","0.002","90","","1566.4","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 F3 N2 O4 S -","- C14 H17 F3 N2 O4 S -","- C56 H68 F12 N8 O16 S4 -","4","1","","Jones, Raymond C. F.; Yau, Sze Chak; Iley, James N.; Smith, Janet E.; Dickson, James; Elsegood, Mark R. J.; McKee, Vickie; Coles, Simon J.","Synthesis of the pyoverdin chromophore by a biomimetic oxidative cyclization.","Organic letters","2009","11","7","1519","1522","10.1021/ol802804c","","","0.71073","MoKα","","0.0567","0.0423","","","0.1049","0.1154","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503777","6.6746","0.0012","22.837","0.004","10.1575","0.0018","90","","94.556","0.003","90","","1543.4","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 F3 N2 O4 S -","- C14 H15 F3 N2 O4 S -","- C56 H60 F12 N8 O16 S4 -","4","1","","Jones, Raymond C. F.; Yau, Sze Chak; Iley, James N.; Smith, Janet E.; Dickson, James; Elsegood, Mark R. J.; McKee, Vickie; Coles, Simon J.","Synthesis of the pyoverdin chromophore by a biomimetic oxidative cyclization.","Organic letters","2009","11","7","1519","1522","10.1021/ol802804c","","","0.71073","MoKα","","0.1185","0.097","","","0.2538","0.2635","","","","","","1.187","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503778","39.015","0.003","9.2033","0.0009","23.6697","0.0019","90","","101.259","0.006","90","","8335.4","1.2","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C41.25 H50 O13.13 -","- C41.25 H50 O13.125 -","- C330 H400 O105 -","8","2","","Boone, Matthew A.; McDonald, Frank E.; Lichter, Joseph; Lutz, Stefan; Cao, Rui; Hardcastle, Kenneth I.","1,5-Alpha-D-mannoseptanosides, ring-size isomers that are impervious to alpha-mannosidase-catalyzed hydrolysis.","Organic letters","2009","11","4","851","854","10.1021/ol8028065","","","1.54178","CuKα","","0.1392","0.0935","","","0.2368","0.2752","","","","","","1.114","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503779","20.217","0.004","8.3327","0.0017","20.468","0.004","90","","118.75","0.03","90","","3023","1.4","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H15 N O -","- C20 H15 N O -","- C160 H120 N8 O8 -","8","2","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Petrovskii, Petr P.; Magull, Joerg; Ringe, Arne","Dibenzoxazepinium ylides: facile access and 1,3-dipolar cycloaddition reactions.","Organic letters","2009","11","4","979","982","10.1021/ol802813a","","","0.71073","MoKα","","0.0822","0.0543","","","0.1393","0.1537","","","","","","0.99","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503780","10.3315","0.0005","15.7434","0.0007","13.1736","0.0007","90","","96.878","0.004","90","","2127.3","0.18","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N O5 -","- C26 H23 N O5 -","- C104 H92 N4 O20 -","4","1","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Petrovskii, Petr P.; Magull, Joerg; Ringe, Arne","Dibenzoxazepinium ylides: facile access and 1,3-dipolar cycloaddition reactions.","Organic letters","2009","11","4","979","982","10.1021/ol802813a","","","0.71073","MoKα","","0.1177","0.0606","","","0.0876","0.1013","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503781","10.9075","0.0005","9.5213","0.0004","18.1729","0.0008","90","","94.797","0.004","90","","1880.71","0.14","133","2","133","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N3 O -","- C24 H17 N3 O -","- C96 H68 N12 O4 -","4","1","","Khlebnikov, Alexander F.; Novikov, Mikhail S.; Petrovskii, Petr P.; Magull, Joerg; Ringe, Arne","Dibenzoxazepinium ylides: facile access and 1,3-dipolar cycloaddition reactions.","Organic letters","2009","11","4","979","982","10.1021/ol802813a","","","0.71073","MoKα","","0.1018","0.0569","","","0.1157","0.1326","","","","","","0.973","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503782","9.029","0.0003","15.9351","0.0004","9.0668","0.0003","90","","108.686","0.001","90","","1235.75","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","","Hui, Benjamin Wei-Qiang; Chiba, Shunsuke","Orthogonal synthesis of isoindole and isoquinoline derivatives from organic azides.","Organic letters","2009","11","3","729","732","10.1021/ol802816k","","","0.71073","MoKα","","0.0547","0.041","","","0.1106","0.1217","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503783","10.3939","0.0003","9.2953","0.0003","13.5126","0.0005","90","","97.486","0.002","90","","1294.38","0.07","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","","Hui, Benjamin Wei-Qiang; Chiba, Shunsuke","Orthogonal synthesis of isoindole and isoquinoline derivatives from organic azides.","Organic letters","2009","11","3","729","732","10.1021/ol802816k","","","0.71073","MoKα","","0.0647","0.0451","","","0.1214","0.1345","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503784","12.936","0.001","13.306","0.002","15.561","0.001","98.33","0.01","96.83","0.01","89.96","0.01","2631","0.5","110","2","110","2","","","","","","","","5","P 1","P 1","1","","","","- C56.25 H50.5 Cl1.5 N5 O19.5 -","- C56.25 H50.5 Cl1.5 N5 O19.5 -","- C112.5 H101 Cl3 N10 O39 -","2","2","","Legouin, Béatrice; Uriac, Philippe; Tomasi, Sophie; Toupet, Loïc; Bondon, Arnaud; van de Weghe, Pierre","Novel chiral molecular tweezer from (+)-usnic acid","Organic letters","2009","11","3","745","748","10.1021/ol802842m","","","0.71073","MoKα","","0.0781","0.059","","","0.161","0.1756","","","","","","0.855","","","","has coordinates,has disorder","189517","2020-10-21","18:00:00",""
"1503785","8.9946","0.0005","19.779","0.001","22.9368","0.0012","90","","90","","90","","4080.6","0.4","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H32 F6 N4 O9 Pd S2 -","- C38 H32 F6 N4 O8.8 Pd S2 -","- C152 H128 F24 N16 O35.2 Pd4 S8 -","4","1","","Ma, Guang-Ning; Zhang, Tao; Shi, Min","Catalytic enantioselective arylation of N-tosylarylimines with arylboronic acids using C2-symmetric cationic N-heterocyclic carbene Pd(2+) diaquo complexes.","Organic letters","2009","11","4","875","878","10.1021/ol802861s","","","0.71073","MoKα","","0.0806","0.0507","","","0.0966","0.1174","","","","","","0.873","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503786","17.0749","0.0005","24.0641","0.0006","24.8996","0.0006","90","","90","","90","","10231","0.5","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C39 H36 O11 -","- C39 H36 O11 -","- C468 H432 O132 -","12","3","","Gong, Hegui; Andrews, R. Stephen; Zuccarello, Joseph L.; Lee, Stephen J.; Gagné, Michel R","Sn-free Ni-catalyzed reductive coupling of glycosyl bromides with activated alkenes.","Organic letters","2009","11","4","879","882","10.1021/ol8028737","","","0.71073","MoKα","","0.1268","0.0661","","","0.1615","0.2006","","","","","","1.01","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503787","6.5763","0.0001","7.6247","0.0001","21.0655","0.0003","90","","98.511","0.001","90","","1044.64","0.03","193","2","193","2","","","","","","","chemical synthesis","5","P 1 21 1","P 2yb","4","RSK-VI-047","(R)-tert-Butyl 1-(3-Bromophenyl)-7-methoxy-3,4-dihydro-1H- pyrido[3,4-b]indole-2(9H)-carboxylate","","- C23 H25 Br N2 O3 -","- C23 H25 Br N2 O3 -","- C46 H50 Br2 N4 O6 -","2","1","","Klausen, Rebekka S.; Jacobsen, Eric N.","Weak Brønsted acid-thiourea co-catalysis: enantioselective, catalytic protio-Pictet-Spengler reactions.","Organic letters","2009","11","4","887","890","10.1021/ol802887h","","","0.71073","MoKα","","0.0537","0.0396","","","0.0981","0.104","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503788","18.02","0.003","18.02","0.003","7.3542","0.0015","90","","90","","90","","2388.1","0.7","143","2","143","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C42 H52 O18 S4 -","- C42 H52 O18 S4 -","- C84 H104 O36 S8 -","2","0.25","","Geng, Mingwei; Zhang, Dechun; Wu, Xiangxiang; He, Lan; Gong, Bing","One-pot formation and characterization of macrocyclic aromatic tetrasulfonates.","Organic letters","2009","11","4","923","926","10.1021/ol8028884","","","0.71073","MoKα","","0.0428","0.0343","","","0.0771","0.0792","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503789","17.984","0.004","19.53","0.004","28.447","0.006","90","","90","","90","","9991","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C45 H58 O17 S4 -","- C45 H58 O17 S4 -","- C360 H464 O136 S32 -","8","2","","Geng, Mingwei; Zhang, Dechun; Wu, Xiangxiang; He, Lan; Gong, Bing","One-pot formation and characterization of macrocyclic aromatic tetrasulfonates.","Organic letters","2009","11","4","923","926","10.1021/ol8028884","","","0.71073","MoKα","","0.068","0.0444","","","0.0947","0.1","","","","","","0.913","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503790","12.171","0.002","29.543","0.006","17.148","0.003","90","","101.92","0.03","90","","6033","2","143","2","143","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C58 H72 O18 S4 -","- C58 H72 O18 S4 -","- C232 H288 O72 S16 -","4","1","","Geng, Mingwei; Zhang, Dechun; Wu, Xiangxiang; He, Lan; Gong, Bing","One-pot formation and characterization of macrocyclic aromatic tetrasulfonates.","Organic letters","2009","11","4","923","926","10.1021/ol8028884","","","0.71073","MoKα","","0.0591","0.0409","","","0.0902","0.098","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503791","9.594","0.0019","13.94","0.003","15.684","0.003","110.19","0.03","99.46","0.03","98.73","0.03","1892","0.9","143","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C71 H94 O21 S4 -","- C71 H94 O21 S4 -","- C71 H94 O21 S4 -","1","0.5","","Geng, Mingwei; Zhang, Dechun; Wu, Xiangxiang; He, Lan; Gong, Bing","One-pot formation and characterization of macrocyclic aromatic tetrasulfonates.","Organic letters","2009","11","4","923","926","10.1021/ol8028884","","","0.71073","MoKα","","0.0611","0.0449","","","0.1128","0.1185","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503792","13.203","0.003","12.335","0.003","20.643","0.004","90","","100.89","0.03","90","","3301.4","1.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H76 N2 O18 S4 -","- C66 H76 N2 O18 S4 -","- C132 H152 N4 O36 S8 -","2","1","","Geng, Mingwei; Zhang, Dechun; Wu, Xiangxiang; He, Lan; Gong, Bing","One-pot formation and characterization of macrocyclic aromatic tetrasulfonates.","Organic letters","2009","11","4","923","926","10.1021/ol8028884","","","0.71073","MoKα","","0.0832","0.0704","","","0.1838","0.1918","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503793","8.5417","0.0002","10.2807","0.0002","12.64","0.0003","102.85","0.001","90.091","0.001","91.488","0.001","1081.78","0.04","90","2","90","2","","","","","","","","4","P 1","P 1","1","7,6-spirolactam","(1<i>R</i>,6<i>R</i>)-1-Methyl-8-azaspiro[5.6]dodecan-7-one","","- C12 H21 N O -","- C12 H21 N O -","- C48 H84 N4 O4 -","4","4","DN2350","Guéret, Stéphanie M; O'Connor, Patrick D; Brimble, Margaret A.","Synthesis of enantiopure bicyclic alpha,alpha-disubstituted spirolactams via asymmetric Birch reductive alkylation.","Organic letters","2009","11","4","963","966","10.1021/ol8029017","","","0.71073","MoKα","","0.0438","0.0396","","","0.1003","0.1038","","","","","","1.018","","","","has coordinates","208164","2020-10-21","18:00:00",""
"1503794","6.121","0.005","34.927","0.005","8.13","0.005","90","0.005","95.221","0.005","90","0.005","1730.9","1.8","293","2","100","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C20 H22 O4 -","- C20 H22 O4 -","- C80 H88 O16 -","4","2","","García-Rubín, Silvia; Varela, Jesús A; Castedo, Luis; Saá, Carlos","6Pi e- versus 8pi e- electrocyclization of 1-aryl- and heteroaryl-substituted (1Z,3Z)-1,3,5-hexatrienes: a matter of aromaticity.","Organic letters","2009","11","4","983","986","10.1021/ol802925q","","x-ray","0.7107","MoKα","","0.0994","0.0668","","","0.1516","0.1655","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503795","12.7621","0.0009","10.3023","0.0007","18.3961","0.0014","90","","91.613","0.005","90","","2417.7","0.3","110","2","110","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H31 N O6 -","- C27 H31 N O6 -","- C108 H124 N4 O24 -","4","1","","García-Rubín, Silvia; Varela, Jesús A; Castedo, Luis; Saá, Carlos","6Pi e- versus 8pi e- electrocyclization of 1-aryl- and heteroaryl-substituted (1Z,3Z)-1,3,5-hexatrienes: a matter of aromaticity.","Organic letters","2009","11","4","983","986","10.1021/ol802925q","","x-ray","0.7107","MoKα","","0.0748","0.0445","","","0.1166","0.1279","","","","","","1.131","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503796","7.6317","0.0004","9.9884","0.0006","12.0719","0.0006","97.369","0.003","93.452","0.003","93.91","0.003","908.28","0.09","100","2","100","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C22 H22 O5 -","- C22 H22 O5 -","- C44 H44 O10 -","2","1","","García-Rubín, Silvia; Varela, Jesús A; Castedo, Luis; Saá, Carlos","6Pi e- versus 8pi e- electrocyclization of 1-aryl- and heteroaryl-substituted (1Z,3Z)-1,3,5-hexatrienes: a matter of aromaticity.","Organic letters","2009","11","4","983","986","10.1021/ol802925q","","x-ray","0.71069","MoKα","","0.0426","0.0387","","","0.0976","0.0999","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503797","10.599","0.002","12.26","0.003","18.013","0.004","79.539","0.004","86.515","0.004","78.451","0.004","2254.4","0.9","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C48 H55 F6 N5 O4 -","- C48 H55 F6 N5 O4 -","- C96 H110 F12 N10 O8 -","2","1","","Zhang, Zhenjun; Ferrence, Gregory M.; Lash, Timothy D.","MacDonald-type reactions using bis-acrylaldehydes: synthesis of an expanded sapphyrin and vinylogous hexaphyrins.","Organic letters","2009","11","6","1249","1252","10.1021/ol802945s","","x-ray","0.71073","MoKα","","0.0959","0.0567","","","0.1291","0.1486","","","","","","1.019","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503798","11.725","0.003","13.381","0.003","17.617","0.004","90","","90","","90","","2764","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C120 H144 N16 O16 -","8","1","","Wang, Kewei; Fu, Xiaolan; Liu, Jinying; Liang, Yongjiu; Dong, Dewen","PIFA-mediated oxidative cyclization of 1-carbamoyl-1-oximylcycloalkanes: synthesis of spiro-fused pyrazolin-5-one N-oxides.","Organic letters","2009","11","4","1015","1018","10.1021/ol802952e","","","0.71069","MoKα","","0.1725","0.0987","","","0.1735","0.2009","","","","","","1.166","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503799","13.96","0.01","14.59","0.02","15.59","0.02","115.43","0.04","94.94","0.04","96.77","0.04","2814","6","123","2","123","2","","","","","","","synthesis","4","P 1","P 1","1","Cbz-{(1S,3S)-Ac5cOM}6-OMe","","","- C54 H80 N6 O16 -","- C54 H80 N6 O16 -","- C108 H160 N12 O32 -","2","2","","Nagano, Masanobu; Tanaka, Masakazu; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Suemune, Hiroshi","Helical-screw directions of diastereoisomeric cyclic alpha-amino acid oligomers.","Organic letters","2009","11","5","1135","1137","10.1021/ol802963a","","","0.7107","MoKα","","0.0612","0.0529","","","0.1276","0.1328","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503800","17.6345","0.001","19.8515","0.0012","19.6951","0.0011","90","","93.955","0.003","90","","6878.3","0.7","293","2","293","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","Cbz-{(1S,3S)-Ac5cOM}8-OMe","","","- C65 H101 N8 O21.5 -","- C65 H101 N8 O21.5 -","- C260 H404 N32 O86 -","4","2","","Nagano, Masanobu; Tanaka, Masakazu; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Suemune, Hiroshi","Helical-screw directions of diastereoisomeric cyclic alpha-amino acid oligomers.","Organic letters","2009","11","5","1135","1137","10.1021/ol802963a","","","0.71073","MoKα","","0.1187","0.0568","","","0.1317","0.1436","","","","","","0.8","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503801","11.742","0.009","19.072","0.015","23.416","0.018","90","","92.844","0.012","90","","5237","7","240","2","240","2","","","","","","","synthesis","4","P 1 21 1","P 2yb","4","Cbz-{(1R,3S)-Ac5cOM}6-OMe","","","- C51 H76 N6 O15 -","- C51 H76 N6 O15 -","- C204 H304 N24 O60 -","4","2","","Nagano, Masanobu; Tanaka, Masakazu; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Suemune, Hiroshi","Helical-screw directions of diastereoisomeric cyclic alpha-amino acid oligomers.","Organic letters","2009","11","5","1135","1137","10.1021/ol802963a","","","0.71073","MoKα","","0.1146","0.0996","","","0.2711","0.2888","","","","","","1.36","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503802","9.995","0.016","17.515","0.003","20.382","0.003","71.492","0.003","87.501","0.003","89.647","0.004","3380","5","293","2","293","2","","","","","","","synthesis","4","P 1","P 1","1","Cbz-{(1R,3S)-Ac5cOM}8-OMe","","","- C65 H101 N8 O20.5 -","- C65 H101 N8 O20.5 -","- C130 H202 N16 O41 -","2","2","","Nagano, Masanobu; Tanaka, Masakazu; Doi, Mitsunobu; Demizu, Yosuke; Kurihara, Masaaki; Suemune, Hiroshi","Helical-screw directions of diastereoisomeric cyclic alpha-amino acid oligomers.","Organic letters","2009","11","5","1135","1137","10.1021/ol802963a","","","0.71075","MoKα","","0.1192","0.08","","","0.199","0.2313","","","","","","1.01","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503803","7.7558","0.0002","11.4466","0.0002","16.8079","0.0003","90","","90","","90","","1492.16","0.05","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H14 O4 -","- C19 H14 O4 -","- C76 H56 O16 -","4","1","","Zhou, Zaichun; Cao, Chenzhong; Yin, Zhiqing; Liu, Qiuhua","Bis(zinc porphyrin) bridged by benzo orthocarbonates as a conformational switch under regulation of DABCO and a Cu+ ion.","Organic letters","2009","11","8","1781","1784","10.1021/ol802976h","","","0.71073","MoKα","","0.0352","0.0275","","","0.0594","0.0643","","","","","","1.065","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503804","7.6675","0.0003","9.3748","0.0003","10.1892","0.0004","90","","95.618","0.002","90","","728.89","0.05","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H18 N4 O3 -","- C15 H18 N4 O3 -","- C30 H36 N8 O6 -","2","1","","Liu, Gang; Romo, Daniel","Enantioselective synthesis of schulzeines B and C via a beta-lactone-derived surrogate for bishomoserine aldehyde.","Organic letters","2009","11","5","1143","1146","10.1021/ol802992m","","","1.54178","CuKα","","0.0427","0.0422","","","0.101","0.1021","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503805","18.044","0.005","5.7815","0.0015","19.613","0.005","90","","106.439","0.011","90","","1962.4","0.9","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C39 H45 Br3 O8 -","- C39 H45 Br3 O8 -","- C78 H90 Br6 O16 -","2","1","","Liu, Gang; Romo, Daniel","Enantioselective synthesis of schulzeines B and C via a beta-lactone-derived surrogate for bishomoserine aldehyde.","Organic letters","2009","11","5","1143","1146","10.1021/ol802992m","","","1.54178","CuKα","","0.1657","0.075","","","0.1398","0.1677","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503806","9.6622","0.0003","10.4643","0.0003","15.9542","0.0006","90","","90","","90","","1613.1","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C84 H84 N4 O8 -","4","1","","Silvanus, Andrew C.; Heffernan, Stephen J.; Liptrot, David J.; Kociok-Köhn, Gabriele; Andrews, Benjamin I.; Carbery, David R.","Stereoselective double Friedel-Crafts alkylation of indoles with divinyl ketones.","Organic letters","2009","11","5","1175","1178","10.1021/ol900014a","","","0.71073","MoKα","","0.0638","0.0512","","","0.1184","0.1268","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503807","18.7028","0.0014","5.9021","0.0002","20.868","0.0012","90","","106.022","0.003","90","","2214.1","0.2","120.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 O2 -","- C13 H14 O2 -","- C104 H112 O16 -","8","1","","Marx, Vanessa M.; Burnell, D. Jean","Synthesis of 5-hydroxycyclopent-2-enones from allenyl vinyl ketones via an interrupted Nazarov cyclization.","Organic letters","2009","11","6","1229","1231","10.1021/ol900029d","","","0.7107","MoKα","","","0.0634","","","","0.0795","","","","","","1.076","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503808","25.479","0.005","5.981","0.0012","30.461","0.006","90","","90","","90","","4641.9","1.6","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H8 O2 Te -","- C6 H8 O2 Te -","- C144 H192 O48 Te24 -","24","3","","Patra, Asit; Wijsboom, Yair H.; Leitus, Gregory; Bendikov, Michael","Synthesis, structure, and electropolymerization of 3,4-dimethoxytellurophene: comparison with selenium analogue.","Organic letters","2009","11","7","1487","1490","10.1021/ol9000608","","","0.71073","MoKα","","0.0728","0.041","","","0.0952","0.1044","","","","","","1.015","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503809","10.7242","0.0003","21.707","0.0007","6.1704","0.0002","90","","94.349","0.001","90","","1432.27","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 O2 Se -","- C6 H8 O2 Se -","- C48 H64 O16 Se8 -","8","2","","Patra, Asit; Wijsboom, Yair H.; Leitus, Gregory; Bendikov, Michael","Synthesis, structure, and electropolymerization of 3,4-dimethoxytellurophene: comparison with selenium analogue.","Organic letters","2009","11","7","1487","1490","10.1021/ol9000608","","","0.71073","MoKα","","0.0302","0.0216","","","0.049","0.0519","","","","","","1.009","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503810","27.4692","0.0016","5.0982","0.0003","9.8276","0.0006","90","","95.032","0.004","90","","1370.99","0.14","100","2","100","2","","","","","","","synthesized","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N2 O3 -","- C16 H18 N2 O3 -","- C64 H72 N8 O12 -","4","1","","Cesario, Cara; Miller, Marvin J.","Pd(0)/InI-mediated allylic additions to 4-acetoxy-2-azetidinone: new route to highly functionalized carbocyclic scaffolds.","Organic letters","2009","11","6","1293","1295","10.1021/ol9000685","","x-ray","0.71073","MoKα","","0.0601","0.0407","","","0.098","0.1102","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503811","7.1643","0.0008","10.625","0.0012","9.4329","0.0011","90","","97.123","0.001","90","","712.5","0.14","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C32 H46 N2 O6 -","2","1","","He, Juan; Chen, Xuan-Qin; Li, Ming-Ming; Zhao, Yu; Xu, Gang; Cheng, Xiao; Peng, Li-Yan; Xie, Min-Jin; Zheng, Yong-Tang; Wang, Yi-Ping; Zhao, Qin-Shi","Lycojapodine A, a novel alkaloid from Lycopodium japonicum.","Organic letters","2009","11","6","1397","1400","10.1021/ol900079t","","","0.71073","MoKα","","0.043","0.0377","","","0.088","0.0925","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503812","6.8172","0.0007","10.3242","0.001","29.214","0.003","90","","90","","90","","2056.1","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 Cl N2 O4 -","- C22 H19 Cl N2 O4 -","- C88 H76 Cl4 N8 O16 -","4","1","","Xia, Ji-Bao; You, Shu-Li","Synthesis of 3-haloindolizines by copper(II) halide mediated direct functionalization of indolizines.","Organic letters","2009","11","5","1187","1190","10.1021/ol9000872","","","0.71073","MoKα","","0.0615","0.049","","","0.1193","0.1251","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503813","16.798","0.003","16.798","0.003","66.084","0.017","90","","90","","120","","16149","6","292","2","292","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C63 H51 N -","- C63 H51 N -","- C756 H612 N12 -","12","0.666667","","Jiang, Zuoquan; Chen, Yonghua; Yang, Chuluo; Cao, Yue; Tao, Youtian; Qin, Jingui; Ma, Dongge","A fully diarylmethylene-bridged triphenylamine derivative as novel host for highly efficient green phosphorescent OLEDs.","Organic letters","2009","11","7","1503","1506","10.1021/ol9001152","","","0.71073","MoKα","","0.1099","0.0715","","","0.1707","0.1907","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503814","10.2187","0.0011","10.7224","0.0012","12.9364","0.0013","96.919","0.007","104.689","0.007","91.598","0.008","1358.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H48 N8 O8 -","- C68 H48 N8 O8 -","- C68 H48 N8 O8 -","1","0.5","","Van Rossom, Wim; Ovaere, Margriet; Van Meervelt, Luc; Dehaen, Wim; Maes, Wouter","Efficient fragment coupling approaches toward large oxacalix[n]arenes (n = 6, 8).","Organic letters","2009","11","8","1681","1684","10.1021/ol900116h","","","1.54178","CuKα","","0.0672","0.0514","","","0.1273","0.1387","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503815","9.4504","0.0004","10.081","0.0004","17.013","0.0007","90","","91.039","0.002","90","","1620.55","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 N O S -","- C21 H15 N O S -","- C84 H60 N4 O4 S4 -","4","1","","Alajarin, Mateo; Bonillo, Baltasar; Sanchez-Andrada, Pilar; Vidal, Angel; Bautista, Delia","Unexpected formation of 2,1-benzisothiazol-3-ones from oxathiolano ketenimines: a rare tandem process.","Organic letters","2009","11","6","1365","1368","10.1021/ol9001416","","","0.71073","MoKα","","0.0471","0.0383","","","0.0939","0.0966","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503816","33.5318","0.0007","19.5054","0.0004","11.6487","0.0003","90","","95.141","0.001","90","","7588.2","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46.75 H46.5 N2 O3.25 -","- C46.75 H46.62 N2 O3.25 -","- C374 H372.96 N16 O26 -","8","1","","Dane, Eric L.; Maly, Thorsten; Debelouchina, Galia T.; Griffin, Robert G.; Swager, Timothy M.","Synthesis of a BDPA-TEMPO biradical.","Organic letters","2009","11","9","1871","1874","10.1021/ol9001575","","","1.54178","CuKα","","0.0403","0.0365","","","0.0879","0.0908","","","","","","1.02","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1503817","11.2172","0.0004","13.4212","0.0004","19.4882","0.0006","73.849","0.001","80.812","0.001","66.344","0.001","2577.46","0.15","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H26 O2.5 -","- C36 H26 O2.5 -","- C144 H104 O10 -","4","2","","Dane, Eric L.; Maly, Thorsten; Debelouchina, Galia T.; Griffin, Robert G.; Swager, Timothy M.","Synthesis of a BDPA-TEMPO biradical.","Organic letters","2009","11","9","1871","1874","10.1021/ol9001575","","","0.71073","MoKα","","0.0659","0.0479","","","0.117","0.1282","","","","","","1.021","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1503818","10.7471","0.0014","16.829","0.002","15.162","0.002","90","","99.441","0.002","90","","2705.1","0.6","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H34 N2 O6 -","- C31 H34 N2 O6 -","- C124 H136 N8 O24 -","4","1","","Uchida, Takuya; Rodriquez, Manuela; Schreiber, Stuart L.","Skeletally diverse small molecules using a build/couple/pair strategy.","Organic letters","2009","11","7","1559","1562","10.1021/ol900173t","","x-ray","0.71073","MoKα","","0.1669","0.0502","","","0.0669","0.0827","","","","","","0.958","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503819","14.0673","0.0002","10.6189","0.0002","20.0375","0.0003","90","","91.632","0.001","90","","2991.97","0.08","193","2","193","2","","","","","","","chemical synthesis","4","P 1 21/c 1","-P 2ybc","14","tu2155R","4-Benzyl 6-ethyl 5-benzyl-7-(4-methoxyphenyl)-8-oxo-4,4a,5,6,7,8,8a,9- octahydrofuro[3,2-g]isoquinoline-4,6-dicarboxylate","","- C36 H35 N O7 -","- C36 H35 N O7 -","- C144 H140 N4 O28 -","4","1","","Uchida, Takuya; Rodriquez, Manuela; Schreiber, Stuart L.","Skeletally diverse small molecules using a build/couple/pair strategy.","Organic letters","2009","11","7","1559","1562","10.1021/ol900173t","","","0.71073","MoKα","","0.0963","0.0459","","","0.0949","0.1175","","","","","","0.997","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503820","9.5546","0.0018","7.0091","0.0012","10.142","0.002","90","","111.6","0.003","90","","631.5","0.2","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H17 N O2 -","- C16 H17 N O2 -","- C32 H34 N2 O4 -","2","1","","Jo, Hyunil; Fitzgerald, Mark E.; Winkler, Jeffrey D.","An unusual pathway to cyclobutane formation via desulfurative intramolecular photocycloaddition of an enone benzothiazoline pair.","Organic letters","2009","11","8","1685","1687","10.1021/ol900186y","","","0.71073","MoKα","","0.0358","0.0342","","","0.0812","0.0824","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503821","8.4766","0.001","11.5898","0.0014","14.494","0.0019","90","","95.304","0.003","90","","1417.8","0.3","140","1","140","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N O4 S -","- C16 H17 N O4 S -","- C64 H68 N4 O16 S4 -","4","1","","Jo, Hyunil; Fitzgerald, Mark E.; Winkler, Jeffrey D.","An unusual pathway to cyclobutane formation via desulfurative intramolecular photocycloaddition of an enone benzothiazoline pair.","Organic letters","2009","11","8","1685","1687","10.1021/ol900186y","","","0.71073","MoKα","","0.0463","0.0403","","","0.0926","0.0963","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503822","8.6297","0.0005","10.2315","0.0004","16.3301","0.0009","90","","90","","90","","1441.86","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 O4 S2 -","- C14 H20 O4 S2 -","- C56 H80 O16 S8 -","4","1","","Beye, Garrison E.; Goodman, Jonathan M.; Ward, Dale E.","Synthetic studies on siphonariid polypropionates: synthesis and isomerization of the caloundrin B trioxaadamantane ring system.","Organic letters","2009","11","6","1373","1376","10.1021/ol900192q","","","0.71073","MoKα","","0.0585","0.0446","","","0.0831","0.0921","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503823","11.3198","0.0004","12.4182","0.0007","10.0138","0.0005","90","","103.718","0.003","90","","1367.5","0.12","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(1R,3R,5R,7R,8S,9S,10R)-rel-3,5-Diethyl-8,9,10- trimethyl-2,4,6-trioxatricyclo[3.3.1.13,7]decan-1-ol","","- C14 H24 O4 -","- C14 H24 O4 -","- C56 H96 O16 -","4","1","","Beye, Garrison E.; Goodman, Jonathan M.; Ward, Dale E.","Synthetic studies on siphonariid polypropionates: synthesis and isomerization of the caloundrin B trioxaadamantane ring system.","Organic letters","2009","11","6","1373","1376","10.1021/ol900192q","","","0.71073","MoKα","","0.0641","0.0419","","","0.0934","0.105","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503824","7.4372","0.0004","7.6194","0.0003","18.2141","0.0009","90","","92.696","0.002","90","","1031","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C44 H48 N8 O12 -","4","1","","Mendelsohn, Brian A.; Lee, Shelley; Kim, Simon; Teyssier, Florian; Aulakh, Virender S.; Ciufolini, Marco A.","Oxidation of oximes to nitrile oxides with hypervalent iodine reagents.","Organic letters","2009","11","7","1539","1542","10.1021/ol900194v","","","0.71073","MoKα","","0.0431","0.0373","","","0.0951","0.0996","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503825","7.566","0.0002","9.7684","0.0003","11.5589","0.0004","88.897","0.002","85.825","0.002","74.451","0.002","820.84","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H21 Br O3 -","- C17 H21 Br O3 -","- C34 H42 Br2 O6 -","2","1","","Hu, Xu-Hong; Liu, Feng; Loh, Teck-Peng","Stereoelectronic versus steric tuning in the prins cyclization reaction: synthesis of 2,6-trans pyranyl motifs.","Organic letters","2009","11","8","1741","1743","10.1021/ol900196w","","","0.71073","MoKα","","0.0526","0.0339","","","0.0898","0.1079","","","","","","1.087","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503826","46.5271","0.0019","46.5271","0.0019","26.061","0.002","90","","90","","120","","48858","5","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C140.64 H73.28 N4 O -","- C140.64 H73.28 N4 O -","- C2531.52 H1319.04 N72 O18 -","18","1","","Clavaguera, Simon; Khan, Saeed I.; Rubin, Yves","Unexpected de-arylation of a pentaaryl fullerene.","Organic letters","2009","11","6","1389","1391","10.1021/ol900224w","","","0.71073","MoKα","","0.1701","0.0717","","","0.1907","0.2154","","","","","","0.832","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503827","7.5881","0.0001","12.1836","0.0001","8.3715","0.0001","90","","111.943","0.001","90","","717.88","0.015","423","2","423","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(2S,3R)-dimethyl 2-nitro-3-(4-nitrophenyl)cyclopropane-1,1-dicarboxylate","","- C13 H12 N2 O8 -","- C13 H12 N2 O8 -","- C26 H24 N4 O16 -","2","1","","Xuan, Yi-Ning; Nie, Shao-Zhen; Dong, Li-Ting; Zhang, Jun-Min; Yan, Ming","Highly enantioselective synthesis of nitrocyclopropanes via organocatalytic conjugate addition of bromomalonate to alpha,beta-unsaturated nitroalkenes.","Organic letters","2009","11","7","1583","1586","10.1021/ol900227j","","","1.54178","CuKα","","0.0241","0.023","","","0.0593","0.0625","","","","","","1.08","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503828","9.4004","0.0007","10.2614","0.0008","13.271","0.001","101.813","0.001","93.644","0.001","94.256","0.001","1245.5","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","04320","","","- C25 H44 O4 Si -","- C25 H44 O4 Si -","- C50 H88 O8 Si2 -","2","1","","Tang, Yu; Cole, Kevin P.; Buchanan, Grant S.; Li, Gang; Hsung, Richard P.","Total synthesis of phomactin A.","Organic letters","2009","11","7","1591","1594","10.1021/ol900237e","","","0.71073","MoKα","","0.0503","0.0401","","","0.1031","0.113","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503829","7.8063","0.0005","12.4919","0.0009","14.4086","0.001","68.686","0.001","79.523","0.001","74.993","0.001","1258.29","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","08003","","","- C26 H46 O4 Si -","- C26 H46 O4 Si -","- C52 H92 O8 Si2 -","2","1","","Tang, Yu; Cole, Kevin P.; Buchanan, Grant S.; Li, Gang; Hsung, Richard P.","Total synthesis of phomactin A.","Organic letters","2009","11","7","1591","1594","10.1021/ol900237e","","","0.71073","MoKα","","0.0716","0.045","","","0.1003","0.1147","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503830","36.187","0.004","16.379","0.0019","8.3869","0.001","90","","98.657","0.002","90","","4914.3","1","173","2","173","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C37 H35 N5 O4 S2 -","- C37 H35 N5 O4 S2 -","- C148 H140 N20 O16 S8 -","4","0.5","","Lee, Hayan; Lee, Shim Sung","Thiaoxaaza-macrocyclic chromoionophores as mercury(II) sensors: synthesis and color modulation.","Organic letters","2009","11","6","1393","1396","10.1021/ol900241p","","","0.71073","MoKα","","0.1499","0.1052","","","0.2482","0.2713","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503831","25.1027","0.0013","10.6633","0.0006","16.1288","0.0009","90","","98.171","0.001","90","","4273.5","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H42 Cl2 Hg N6 O13 S2 -","- C40 H35 Cl2 Hg N6 O13 S2 -","- C160 H140 Cl8 Hg4 N24 O52 S8 -","4","1","","Lee, Hayan; Lee, Shim Sung","Thiaoxaaza-macrocyclic chromoionophores as mercury(II) sensors: synthesis and color modulation.","Organic letters","2009","11","6","1393","1396","10.1021/ol900241p","","","0.71073","MoKα","","0.0639","0.0417","","","0.1001","0.1185","","","","","","1.134","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503832","8.3523","0.001","47.683","0.006","10.6968","0.001","90","","121.33","0.007","90","","3639","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 Hg N7 O10 S2 -","- C37 H35 Hg N7 O10 S2 -","- C148 H140 Hg4 N28 O40 S8 -","4","1","","Lee, Hayan; Lee, Shim Sung","Thiaoxaaza-macrocyclic chromoionophores as mercury(II) sensors: synthesis and color modulation.","Organic letters","2009","11","6","1393","1396","10.1021/ol900241p","","","0.71073","MoKα","","0.1205","0.0726","","","0.1463","0.1733","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503833","10.9346","0.0003","14.4078","0.0003","17.2479","0.0004","91.3635","0.0018","93.6193","0.0018","91.7519","0.0019","2709.71","0.11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C95 H14 N O2 S6 Sc3 -","- C95 H14 N O2 S6 Sc3 -","- C190 H28 N2 O4 S12 Sc6 -","2","1","","Shu, Chunying; Xu, Wei; Slebodnick, Carla; Champion, Hunter; Fu, Wujun; Reid, Jonathan E.; Azurmendi, Hugo; Wang, Chunru; Harich, Kim; Dorn, Harry C.; Gibson, Harry W.","Syntheses and structures of phenyl-C81-butyric acid methyl esters (PCBMs) from M3N@C80.","Organic letters","2009","11","8","1753","1756","10.1021/ol9002527","","x-ray","1.54178","CuKα","","0.0593","0.0567","","","0.1425","0.1447","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503834","14.6647","0.0004","20.7457","0.0006","15.9861","0.0004","90","","90.638","0.003","90","","4863.1","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C93 H14 N O2 S2 Y3 -","- C93 H14 N O2 S2 Y3 -","- C372 H56 N4 O8 S8 Y12 -","4","1","","Shu, Chunying; Xu, Wei; Slebodnick, Carla; Champion, Hunter; Fu, Wujun; Reid, Jonathan E.; Azurmendi, Hugo; Wang, Chunru; Harich, Kim; Dorn, Harry C.; Gibson, Harry W.","Syntheses and structures of phenyl-C81-butyric acid methyl esters (PCBMs) from M3N@C80.","Organic letters","2009","11","8","1753","1756","10.1021/ol9002527","","x-ray","0.71073","MoKα","","0.127","0.0554","","","0.1088","0.1212","","","","","","0.83","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503835","19.8903","0.0008","16.9211","0.0007","25.5102","0.001","90","","90","","90","","8585.9","0.6","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H45 Cl3 I2 N2 O2 -","- C37 H45 Cl3 I2 N2 O2 -","- C296 H360 Cl24 I16 N16 O16 -","8","1","","Pignataro, Luca; Papalia, Teresa; Slawin, Alexandra M. Z.; Goldup, Stephen M.","Unusual mechanistic course of some NHC-mediated transesterifications.","Organic letters","2009","11","7","1643","1646","10.1021/ol900257t","","","0.71073","MoKα","","0.0732","0.0721","","","0.147","0.1475","","","","","","1.309","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503836","13.4765","0.0001","13.4765","0.0001","10.5602","0.0002","90","","90","","120","","1660.95","0.04","193","2","193","2","","","","","","","chemical synthesis","4","P 31","P 31","144","RJ-001-X","(<i>R</i>)-2,2-Dibenzylcyclopentyl 3,5-dibromobenzoate","","- C26 H24 Br2 O2 -","- C26 H24 Br2 O2 -","- C78 H72 Br6 O6 -","3","1","","Chein, Rong-Jie; Yeung, Ying-Yeung; Corey, E. J.","Highly enantioselective oxazaborolidine-catalyzed reduction of 1,3-dicarbonyl compounds: role of the additive diethylaniline.","Organic letters","2009","11","7","1611","1614","10.1021/ol900258f","","","0.71073","MoKα","","0.0481","0.031","","","0.0635","0.0689","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503837","10.8803","0.0002","8.7798","0.0002","29.8879","0.0008","90","","97.593","0.002","90","","2830.06","0.11","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H27 N O4 -","- C34 H27 N O4 -","- C136 H108 N4 O16 -","4","1","","Chen, Jhih-Rong; Yang, Ding-Yah","Design and synthesis of an o-hydroxyphenyl-containing spiropyran thermochromic colorant.","Organic letters","2009","11","8","1769","1772","10.1021/ol900288j","","x-ray","1.54184","CuKα","","0.0455","0.0369","","","0.1058","0.1112","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503838","7.1551","0.0005","27.3837","0.0018","12.5546","0.0008","90","","103.864","0.001","90","","2388.2","0.3","297","2","297","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H24.9 O4.45 -","- C32 H24.9 O4.45 -","- C128 H99.6 O17.8 -","4","1","","Chen, Jhih-Rong; Yang, Ding-Yah","Design and synthesis of an o-hydroxyphenyl-containing spiropyran thermochromic colorant.","Organic letters","2009","11","8","1769","1772","10.1021/ol900288j","","x-ray","0.71073","MoKα","","0.0796","0.0626","","","0.2075","0.2252","","","","","","1.348","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"1503839","5.5253","0.0003","8.5106","0.0004","30.7793","0.001","90","","90","","90","","1447.35","0.11","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Br N O3 -","- C14 H16 Br N O3 -","- C56 H64 Br4 N4 O12 -","4","1","","Tan, Bin; Zeng, Xiaofei; Lu, Yunpeng; Chua, Pei Juan; Zhong, Guofu","Rational design of organocatalyst: highly stereoselective Michael addition of cyclic ketones to nitroolefins.","Organic letters","2009","11","9","1927","1930","10.1021/ol900330p","","","0.71073","MoKα","","0.0539","0.036","","","0.0828","0.1008","","","","","","1.054","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503840","10.0965","0.0003","13.5161","0.0005","15.1758","0.0005","90","","90","","90","","2070.97","0.12","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 I N O -","- C24 H26 I N O -","- C96 H104 I4 N4 O4 -","4","1","","Pira, Silvain L.; Wallace, Timothy W.; Graham, Jonathan P.","Enantioselective route to 5-methyl- and 5,7-dimethyl-6,7-dihydro-5H-dibenz[c,e]azepine: secondary amines with switchable axial chirality.","Organic letters","2009","11","7","1663","1666","10.1021/ol900333c","","x-ray","0.71073","MoKα","","0.1163","0.0756","","","0.1616","0.184","","","","","","1.153","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503841","8.7885","0.0007","5.201","0.0005","23.5047","0.0019","90","","98.753","0.005","90","","1061.86","0.16","228","2","228","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H18 Br Cl N2 O4 -","- C23 H18 Br Cl N2 O4 -","- C46 H36 Br2 Cl2 N4 O8 -","2","1","","Zu, Liansuo; Zhang, Shilei; Xie, Hexin; Wang, Wei","Catalytic asymmetric oxa-Michael-Michael cascade for facile construction of chiral chromans via an aminal intermediate.","Organic letters","2009","11","7","1627","1630","10.1021/ol9003433","","","0.71073","MoKα","","0.0932","0.042","","","0.0871","0.1022","","","","","","0.993","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503842","8.1083","0.0005","10.844","0.0006","27.2736","0.0016","90","","90","","90","","2398.1","0.2","90","1","90","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 N2 O4 S -","- C24 H40 N2 O4 S -","- C96 H160 N8 O16 S4 -","4","1","","Paderes, Monissa C.; Chemler, Sherry R.","Diastereoselective pyrrolidine synthesis via copper promoted intramolecular aminooxygenation of alkenes: formal synthesis of (+)-monomorine.","Organic letters","2009","11","9","1915","1918","10.1021/ol9003492","","","0.71073","MoKα","","0.0305","0.0255","","","0.0618","0.0649","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503843","36.619","0.006","7.7648","0.0012","20.354","0.003","90","","101.835","0.003","90","","5664.4","1.5","90","2","90","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H39 F3 N2 O3 S -","- C29 H39 F3 N2 O3 S -","- C232 H312 F24 N16 O24 S8 -","8","1","","Paderes, Monissa C.; Chemler, Sherry R.","Diastereoselective pyrrolidine synthesis via copper promoted intramolecular aminooxygenation of alkenes: formal synthesis of (+)-monomorine.","Organic letters","2009","11","9","1915","1918","10.1021/ol9003492","","x-ray","0.71073","MoKα","","0.08","0.0576","","","0.1422","0.1609","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503844","6.926","0.003","26.359","0.009","12.135","0.005","90","","99.155","0.005","90","","2187.2","1.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","spirofluorene","ethyl 4-acetyl-2',7'-dibromo-3,5-dimethylenespiro[cyclohexane-1,9'-fluorene]- 4-carboxylate","","- C25 H22 Br2 O3 -","- C25 H22 Br2 O3 -","- C100 H88 Br8 O12 -","4","1","","Tsuji, Hayato; Tanaka, Iku; Endo, Kohei; Yamagata, Ken-Ichi; Nakamura, Masaharu; Nakamura, Eiichi","Indium-catalyzed [1 + n] annulation reaction between beta-ketoester and alpha,omega-diyne.","Organic letters","2009","11","8","1845","1847","10.1021/ol9003542","","","0.7107","MoKα","","0.0249","0.0246","","","0.0564","0.0565","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503845","11.406","0.002","10.314","0.002","12.029","0.002","90","","96.94","0.03","90","","1404.7","0.4","301","2","301","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O -","- C17 H19 N O -","- C68 H76 N4 O4 -","4","1","","Yip, Kai-Tai; Zhu, Nian-Yong; Yang, Dan","Palladium-catalyzed highly diastereoselective oxidative cascade cyclization reactions.","Organic letters","2009","11","9","1911","1914","10.1021/ol900355h","","","0.71073","MoKα","","0.0481","0.0375","","","0.1059","0.1118","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503846","10.455","0.002","11.538","0.002","29.956","0.006","90","","90","","90","","3613.6","1.2","301","2","301","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H23 N O -","- C23 H23 N O -","- C184 H184 N8 O8 -","8","1","","Yip, Kai-Tai; Zhu, Nian-Yong; Yang, Dan","Palladium-catalyzed highly diastereoselective oxidative cascade cyclization reactions.","Organic letters","2009","11","9","1911","1914","10.1021/ol900355h","","","0.71073","MoKα","","0.0596","0.0368","","","0.0914","0.0989","","","","","","0.881","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503847","11.865","0.002","11.865","0.002","19.328","0.004","90","","90","","90","","2721","0.9","100","2","100","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C13 H13 F6 N O -","- C13 H13 F6 N O -","- C104 H104 F48 N8 O8 -","8","1","","Ueki, Hisanori; Soloshonok, Vadim A.","New sterically driven mode for generation of helical chirality.","Organic letters","2009","11","8","1797","1800","10.1021/ol900357d","","","0.71073","MoKα","","0.0297","0.0282","","","0.0727","0.074","","","","","","1.011","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503848","4.8696","0.0016","10.082","0.003","10.611","0.003","82.277","0.005","84.935","0.005","78.256","0.005","504.4","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 N O -","- C11 H15 N O -","- C22 H30 N2 O2 -","2","1","","Ueki, Hisanori; Soloshonok, Vadim A.","New sterically driven mode for generation of helical chirality.","Organic letters","2009","11","8","1797","1800","10.1021/ol900357d","","","0.71073","MoKα","","0.0529","0.0449","","","0.1232","0.129","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503849","11.298","0.002","11.298","0.002","19.444","0.002","90","","90","","90","","2481.9","0.7","100","2","100","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C13 H19 N O -","- C13 H19 N O -","- C104 H152 N8 O8 -","8","1","","Ueki, Hisanori; Soloshonok, Vadim A.","New sterically driven mode for generation of helical chirality.","Organic letters","2009","11","8","1797","1800","10.1021/ol900357d","","","0.71073","MoKα","","0.0321","0.0314","","","0.1052","0.1068","","","","","","0.998","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503850","11.599","0.002","11.489","0.002","17.193","0.003","90","","90","","90","","2291.2","0.7","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H17 N O -","- C12 H17 N O -","- C96 H136 N8 O8 -","8","2","","Ueki, Hisanori; Soloshonok, Vadim A.","New sterically driven mode for generation of helical chirality.","Organic letters","2009","11","8","1797","1800","10.1021/ol900357d","","","0.71073","MoKα","","0.0304","0.0292","","","0.0773","0.0794","","","","","","0.999","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503851","9.234","0.0003","9.606","0.0003","17.638","0.0006","90","","90","","90","","1564.52","0.09","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O6 -","- C16 H22 O6 -","- C64 H88 O24 -","4","1","","Jones, Regan A.; Krische, Michael J.","Asymmetric total synthesis of the iridoid beta-glucoside (+)-geniposide via phosphine organocatalysis.","Organic letters","2009","11","8","1849","1851","10.1021/ol900360h","","","0.71073","MoKα","","0.0575","0.0415","","","0.0885","0.0957","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503852","4.266","0.0005","14.4142","0.0016","20.684","0.002","90","","90","","90","","1271.9","0.2","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H7 Cl2 N O4 -","- C13 H7 Cl2 N O4 -","- C52 H28 Cl8 N4 O16 -","4","1","","Jones, Regan A.; Krische, Michael J.","Asymmetric total synthesis of the iridoid beta-glucoside (+)-geniposide via phosphine organocatalysis.","Organic letters","2009","11","8","1849","1851","10.1021/ol900360h","","","0.7107","MoKα","","0.161","0.0702","","","0.0895","0.1108","","","","","","1.134","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503853","19.1733","0.0003","15.3845","0.0003","19.6245","0.0003","90","","109.475","0.001","90","","5457.48","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 Cl6 O4 Sb -","- C23 H28 Cl6 O4 Sb -","- C184 H224 Cl48 O32 Sb8 -","8","2","","Chebny, Vincent J.; Shukla, Ruchi; Lindeman, Sergey V.; Rathore, Rajendra","Molecular actuator: redox-controlled clam-like motion in a bichromophoric electron donor.","Organic letters","2009","11","9","1939","1942","10.1021/ol900371m","","","1.54178","CuKα","","0.0296","0.0244","","","0.0602","0.0622","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503854","10.8438","0.0002","6.8928","0.0001","26.8595","0.0005","90","","97.201","0.001","90","","1991.76","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 O4 -","- C23 H28 O4 -","- C92 H112 O16 -","4","1","","Chebny, Vincent J.; Shukla, Ruchi; Lindeman, Sergey V.; Rathore, Rajendra","Molecular actuator: redox-controlled clam-like motion in a bichromophoric electron donor.","Organic letters","2009","11","9","1939","1942","10.1021/ol900371m","","","1.54178","CuKα","","0.0333","0.0322","","","0.0823","0.0831","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503855","12.3843","0.0009","25.9281","0.0019","6.9484","0.0005","90","","90","","90","","2231.1","0.3","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H29 N O5 -","- C25 H29 N O5 -","- C100 H116 N4 O20 -","4","1","","Chebny, Vincent J.; Shukla, Ruchi; Lindeman, Sergey V.; Rathore, Rajendra","Molecular actuator: redox-controlled clam-like motion in a bichromophoric electron donor.","Organic letters","2009","11","9","1939","1942","10.1021/ol900371m","","","0.71073","MoKα","","0.0506","0.0414","","","0.0987","0.1032","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503856","9.8164","0.0016","26.656","0.004","18.42","0.003","90","","90","0.002","90","","4819.9","1.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 O6 -","- C28 H36 O6 -","- C224 H288 O48 -","8","2","","Chebny, Vincent J.; Shukla, Ruchi; Lindeman, Sergey V.; Rathore, Rajendra","Molecular actuator: redox-controlled clam-like motion in a bichromophoric electron donor.","Organic letters","2009","11","9","1939","1942","10.1021/ol900371m","","","0.71073","MoKα","","0.0898","0.0558","","","0.1388","0.1528","","","","","","0.995","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503857","9.15783","0.00017","17.0989","0.0003","17.1807","0.0003","90","","90","","90","","2690.31","0.08","193","","193","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(2,2-Dimethylpropyl)-3-bromo-4-(2-methoxynaphthalen-1-yl)- 5,6,7,8-tetrahydro-1H-quinolin-2-one","","- C31 H34 Br N O2 -","- C31 H34 Br N O2 -","- C124 H136 Br4 N4 O8 -","4","1","","Imase, Hidetomo; Suda, Takeshi; Shibata, Yu; Noguchi, Keiichi; Hirano, Masao; Tanaka, Ken","Highly enantioselective construction of axial chirality by palladium-catalyzed cycloisomerization of N-alkenyl arylethynylamides.","Organic letters","2009","11","8","1805","1808","10.1021/ol900373z","","","1.54187","CuKα","","0.0392","0.0338","","","0.0801","0.0855","","","","","","1.198","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503858","5.613","0.003","9.682","0.005","21.629","0.01","90","","92.403","0.008","90","","1174.4","1","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C56 H44 N12 O4 -","4","1","","Sasada, Toshiaki; Kobayashi, Fuminori; Sakai, Norio; Konakahara, Takeo","An unprecedented approach to 4,5-disubstituted pyrimidine derivatives by a ZnCl(2)-catalyzed three-component coupling reaction.","Organic letters","2009","11","10","2161","2164","10.1021/ol900382j","","","0.71073","MoKα","","0.1219","0.1099","","","0.2184","0.224","","","","","","1.311","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503859","12.38","0.004","7.301","0.003","15.108","0.005","90","","98.533","0.007","90","","1350.4","0.8","299","","299","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C72 H56 N8 O4 -","4","1","","Sasada, Toshiaki; Kobayashi, Fuminori; Sakai, Norio; Konakahara, Takeo","An unprecedented approach to 4,5-disubstituted pyrimidine derivatives by a ZnCl(2)-catalyzed three-component coupling reaction.","Organic letters","2009","11","10","2161","2164","10.1021/ol900382j","","","0.71073","MoKα","","0.1049","0.0633","","","0.181","0.2239","","","","","","0.74","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503860","9.0917","0.0008","9.3121","0.0007","14.1154","0.0012","84.228","0.002","84.713","0.003","82.675","0.003","1175.47","0.17","93.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H16 F4 O2 -","- C34 H16 F4 O2 -","- C68 H32 F8 O4 -","2","1","","Nishida, Jun-Ichi; Fujiwara, Yujiro; Yamashita, Yoshiro","Synthesis, crystal structure, and physical properties of 7,14-disubstituted pentacene-5,12-diones containing a methylenequinoid structure.","Organic letters","2009","11","8","1813","1816","10.1021/ol9003838","","","0.71075","MoKα","","","0.0469","","","","0.1322","","","","","","1.06","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503861","14.2666","0.0007","11.6671","0.0006","23.426","0.0014","90","","105.495","0.0018","90","","3757.5","0.4","93.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 O2 Si2 -","- C44 H52 O2 Si2 -","- C176 H208 O8 Si8 -","4","1","","Nishida, Jun-Ichi; Fujiwara, Yujiro; Yamashita, Yoshiro","Synthesis, crystal structure, and physical properties of 7,14-disubstituted pentacene-5,12-diones containing a methylenequinoid structure.","Organic letters","2009","11","8","1813","1816","10.1021/ol9003838","","","0.71075","MoKα","","","0.0587","","","","0.1629","","","","","","0.988","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503862","14.8","0.006","14.463","0.006","16.996","0.007","90","","90.6671","0.0018","90","","3638","3","103","2","103","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C52 H38 -","- C52 H38 -","- C208 H152 -","4","1","","Kitazawa, Kentaroh; Kochi, Takuya; Sato, Mitsuo; Kakiuchi, Fumitoshi","Convenient synthesis of tetra- and hexaarylanthracenes by means of RuH2(CO)(PPh3)3-catalyzed C-H arylation of anthraquinone with arylboronates.","Organic letters","2009","11","9","1951","1954","10.1021/ol900393x","","","0.7107","MoKα","","0.0514","0.0481","","","0.1193","0.1226","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503863","8.7153","0.0007","9.8625","0.0009","24.055","0.002","90","","90","","90","","2067.6","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 N2 O5 -","- C23 H24 N2 O5 -","- C92 H96 N8 O20 -","4","1","","Medimagh, Raouf; Marque, Sylvain; Prim, Damien; Marrot, Jérôme; Chatti, Saber","Concise synthesis of tricyclic isoindolinones via one-pot cascade multicomponent sequences.","Organic letters","2009","11","8","1817","1820","10.1021/ol9003965","","","0.71073","MoKα","","0.0702","0.0399","","","0.106","0.1295","","","","","","1.072","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503864","13.216","0.0012","6.0877","0.0003","16.8483","0.0016","90","","103.51","0.003","90","","1318.02","0.19","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H36 N2 O5 -","- C29 H36 N2 O5 -","- C58 H72 N4 O10 -","2","1","","Ghosh, Arun K.; Xu, Chun-Xiao","A convergent synthesis of the proposed structure of antitumor depsipeptide stereocalpin A.","Organic letters","2009","11","9","1963","1966","10.1021/ol900412u","","","0.71073","MO-Kα","","0.06","0.041","","","0.076","0.083","","","","","","1.02","","","","has coordinates","288193","2023-12-08","17:12:22",""
"1503865","9.4588","0.0014","9.6985","0.0014","11.9322","0.0017","74.013","0.002","88.98","0.003","70.029","0.002","985.5","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H10 O2 -","- C12 H10 O2 -","- C48 H40 O8 -","4","2","","Deng, Youqian; Jin, Xin; Fu, Chunling; Ma, Shengming","Efficient highly selective synthesis of methyl 2-(ethynyl)alk-2(E)-enoates and 2-(1'-chlorovinyl)alk-2(Z)-enoates from 2-(methoxycarbonyl)-2,3-allenols.","Organic letters","2009","11","10","2169","2172","10.1021/ol9004273","","","0.71073","MoKα","","0.0829","0.0731","","","0.1959","0.2063","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503866","7.9734","0.0005","16.9107","0.001","9.8279","0.0006","90","","99.353","0.002","90","","1307.54","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Cl O2 -","- C14 H13 Cl O2 -","- C56 H52 Cl4 O8 -","4","1","","Deng, Youqian; Jin, Xin; Fu, Chunling; Ma, Shengming","Efficient highly selective synthesis of methyl 2-(ethynyl)alk-2(E)-enoates and 2-(1'-chlorovinyl)alk-2(Z)-enoates from 2-(methoxycarbonyl)-2,3-allenols.","Organic letters","2009","11","10","2169","2172","10.1021/ol9004273","","","0.71073","MoKα","","0.0477","0.0425","","","0.1163","0.124","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503867","11.524","0.015","13.1","0.013","13.534","0.011","90","","90","","90","","2043","4","173.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Br O3 -","- C24 H23 Br O3 -","- C96 H92 Br4 O12 -","4","1","","Tomizawa, Masaki; Shibuya, Masatoshi; Iwabuchi, Yoshiharu","Highly enantioselective organocatalytic oxidative kinetic resolution of secondary alcohols using chirally modified AZADOs.","Organic letters","2009","11","8","1829","1831","10.1021/ol900441f","","","0.71075","MoKα","","0.0507","0.0363","","","0.0871","0.0957","","","","","","0.951","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503868","12.8","0.003","16.1","0.003","11.14","0.002","90","","113.93","0.03","90","","2098.4","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O6 -","- C23 H25 N O6 -","- C92 H100 N4 O24 -","4","1","","Wang, Guan-Wu; Gao, Jie","Selective formation of spiro dihydrofurans and cyclopropanes through unexpected reaction of aldehydes with 1,3-dicarbonyl compounds.","Organic letters","2009","11","11","2385","2388","10.1021/ol900451d","","","0.71073","MoKα","","0.1269","0.0736","","","0.1612","0.2229","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503869","10.2632","0.0012","17.437","0.002","11.4706","0.0013","90","","110.341","0.003","90","","1924.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H13 N O6 -","- C25 H13 N O6 -","- C100 H52 N4 O24 -","4","1","","Wang, Guan-Wu; Gao, Jie","Selective formation of spiro dihydrofurans and cyclopropanes through unexpected reaction of aldehydes with 1,3-dicarbonyl compounds.","Organic letters","2009","11","11","2385","2388","10.1021/ol900451d","","","0.71073","MoKα","","0.1243","0.0544","","","0.0875","0.1069","","","","","","0.813","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503870","5.2823","0.0002","15.4651","0.0006","13.0625","0.0005","90","","100.723","0.0004","90","","1048.46","0.07","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H35 N O2 -","- C23 H35 N O2 -","- C46 H70 N2 O4 -","2","1","","Buchner, Kay M.; Clark, Timothy B.; Loy, Janice M. N.; Nguyen, Thong X.; Woerpel, K. A.","Alkylidenesilacyclopropanes derived from allenes: applications to the selective synthesis of triols and homoallylic alcohols.","Organic letters","2009","11","10","2173","2175","10.1021/ol900456v","","","0.71073","MoKα","","0.0319","0.0303","","","0.0786","0.0798","","","","","","1.045","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1503871","11.2644","0.0012","18.238","0.002","12.7049","0.0014","90","","111.178","0.002","90","","2433.8","0.5","158","2","158","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H40 O Si2 -","- C23 H40 O Si2 -","- C92 H160 O4 Si8 -","4","1","","Buchner, Kay M.; Clark, Timothy B.; Loy, Janice M. N.; Nguyen, Thong X.; Woerpel, K. A.","Alkylidenesilacyclopropanes derived from allenes: applications to the selective synthesis of triols and homoallylic alcohols.","Organic letters","2009","11","10","2173","2175","10.1021/ol900456v","","","0.71073","MoKα","","0.0563","0.0417","","","0.1013","0.1124","","","","","","1.07","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"1503872","6.708","0.002","9.888","0.003","11.794","0.004","90","","102.551","0.015","90","","763.6","0.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Br N O -","- C17 H16 Br N O -","- C34 H32 Br2 N2 O2 -","2","1","","Hong, Liang; Liu, Chunxia; Sun, Wangsheng; Wang, Lei; Wong, Kwokyin; Wang, Rui","Organocatalytic enantioselective Friedel-Crafts alkylation of 4,7-dihydroindoles with alpha,beta-unsaturated aldehydes: an easy access to 2-substituted indoles.","Organic letters","2009","11","10","2177","2180","10.1021/ol900461v","","","0.71073","MoKα","","0.0741","0.0393","","","0.0835","0.0946","","","","","","0.976","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503873","7.382","0.0013","12.748","0.002","15.264","0.003","90","","90","","90","","1436.4","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 I N2 O3 -","- C11 H19 I N2 O3 -","- C44 H76 I4 N8 O12 -","4","1","","Estarellas, Carolina; Rotger, M. Carmen; Capó, Magdalena; Quiñonero, David; Frontera, Antonio; Costa, Antoni; Deyà, Pere M.","Anion-π interactions in four-membered rings","Organic Letters","2009","11","9","1987","1990","10.1021/ol900470r","","","0.71073","MoKα","","0.0255","0.0232","","","0.0487","0.0497","","","","","","0.957","","","","has coordinates","218666","2020-10-21","18:00:00",""
"1503874","13.3425","0.0011","25.354","0.002","13.6808","0.0011","90","","116.203","0.002","90","","4152.4","0.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 Cl N4 O2.333 -","- C10 H19 Cl N4 O2.33333 -","- C120 H228 Cl12 N48 O28 -","12","3","","Estarellas, Carolina; Rotger, M. Carmen; Capó, Magdalena; Quiñonero, David; Frontera, Antonio; Costa, Antoni; Deyà, Pere M.","Anion-π interactions in four-membered rings","Organic Letters","2009","11","9","1987","1990","10.1021/ol900470r","","","0.71073","MoKα","","0.1707","0.0702","","","0.1755","0.222","","","","","","1.005","","","","has coordinates","218667","2020-10-21","18:00:00",""
"1503875","8.0163","0.0007","9.4598","0.0008","25.816","0.002","90","","93.688","0.002","90","","1953.6","0.3","143","1","143","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C92 H88 N8 O12 -","4","1","","Sirasani, Gopal; Andrade, Rodrigo B.","Sequential one-pot cyclizations: concise access to the ABCE tetracyclic framework of strychnos alkaloids.","Organic letters","2009","11","10","2085","2088","10.1021/ol9004799","","","0.71073","MoKα","","0.0468","0.041","","","0.1018","0.1075","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503876","10.0669","0.0014","25.664","0.004","10.9208","0.0013","90","","111.079","0.006","90","","2632.7","0.6","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H40 B2 O4 P2 -","- C24 H40 B2 O4 P2 -","- C96 H160 B8 O16 P8 -","4","2","","Morisaki, Yasuhiro; Imoto, Hiroaki; Tsurui, Kazuhiko; Chujo, Yoshiki","Practical synthesis of P-stereogenic diphosphacrowns.","Organic letters","2009","11","11","2241","2244","10.1021/ol900504e","","","0.71075","MoKα","","0.0899","0.0519","","","0.1094","0.1276","","","","","","0.67","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503877","9.0429","0.0009","14.936","0.002","19.4631","0.0018","90","","90","","90","","2628.8","0.5","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 Cl2 O4 P2 Pt -","- C24 H34 Cl2 O4 P2 Pt -","- C96 H136 Cl8 O16 P8 Pt4 -","4","1","","Morisaki, Yasuhiro; Imoto, Hiroaki; Tsurui, Kazuhiko; Chujo, Yoshiki","Practical synthesis of P-stereogenic diphosphacrowns.","Organic letters","2009","11","11","2241","2244","10.1021/ol900504e","","","0.71075","MoKα","","0.0219","0.0198","","","0.0581","0.06","","","","","","0.509","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503878","9.2921","0.0016","14.879","0.002","18.8246","0.0018","90","","90","","90","","2602.6","0.6","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 Cl2 O4 P2 Pd -","- C24 H34 Cl2 O4 P2 Pd -","- C96 H136 Cl8 O16 P8 Pd4 -","4","1","","Morisaki, Yasuhiro; Imoto, Hiroaki; Tsurui, Kazuhiko; Chujo, Yoshiki","Practical synthesis of P-stereogenic diphosphacrowns.","Organic letters","2009","11","11","2241","2244","10.1021/ol900504e","","","0.71075","MoKα","","0.0308","0.0278","","","0.0826","0.0905","","","","","","0.748","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503879","19.68","0.002","6.923","0.003","15.753","0.002","90","","125.7","0.02","90","","1742.9","0.9","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H27 N O2 S2 -","- C15 H27 N O2 S2 -","- C60 H108 N4 O8 S8 -","4","1","","Checa, Begoña; Gálvez, Erik; Parelló, Ricard; Sau, Miriam; Romea, Pedro; Urpí, Fèlix; Font-Bardia, Mercè; Solans, Xavier","New approach to the stereoselective synthesis of tertiary methyl ethers.","Organic letters","2009","11","10","2193","2196","10.1021/ol9005135","","","0.71069","MoKα","","0.0476","0.0333","","","0.0761","0.0792","","","","","","0.906","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503880","18.1731","0.0011","10.7733","0.0006","17.5878","0.001","90","","93.105","0.001","90","","3438.4","0.3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","PdCl2(t-Bu-MiniPHOS)2","","","- C22 H52 Br2 P4 Pd2 -","- C22 H52 Br2 P4 Pd2 -","- C88 H208 Br8 P16 Pd8 -","4","1","","Ogura, Tomokazu; Yoshida, Kazuhiro; Yanagisawa, Akira; Imamoto, Tsuneo","Optically active dinuclear palladium complexes containing a Pd-Pd bond: preparation and enantioinduction ability in asymmetric ring-opening reactions.","Organic letters","2009","11","11","2245","2248","10.1021/ol900533h","","","0.71073","MoKα","","0.049","0.047","","","0.1557","0.1569","","","","","","1.119","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503881","8.4746","0.0008","11.9094","0.0011","16.0377","0.0014","77.485","0.003","78.778","0.003","77.063","0.003","1521.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 Cl2 N5 O10 -","- C28 H27 Cl2 N5 O10 -","- C56 H54 Cl4 N10 O20 -","2","1","","Lee, Min Hee; Lee, Soon W.; Kim, Sang Hoon; Kang, Chulhun; Kim, Jong Seung","Nanomolar Hg(II) detection using Nile blue chemodosimeter in biological media.","Organic letters","2009","11","10","2101","2104","10.1021/ol900542y","","","0.71073","MoKα","","0.1684","0.0685","","","0.1706","0.1994","","","","","","0.784","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503882","12.215","0.002","8.434","0.002","34.429","0.006","90","","90","","90","","3546.9","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-benzyl 2-(1-(4-oxo-3-propyl-2-thioxothiazolidin-5-ylidene)- ethyl)hydrazinecarboxylate","","- C16 H19 N3 O3 S2 -","- C16 H19 N3 O3 S2 -","- C128 H152 N24 O24 S16 -","8","1","","Attanasi, Orazio A.; Crescentini, Lucia De; Favi, Gianfranco; Filippone, Paolino; Giorgi, Gianluca; Mantellini, Fabio; Moscatelli, Giada; Behalo, Mohamed S.","An efficient one-pot, three-component synthesis of 5-hydrazinoalkylidene rhodanines from 1,2-diaza-1,3-dienes.","Organic letters","2009","11","11","2265","2268","10.1021/ol900545v","","","0.71073","MoKα","","0.1094","0.0516","","","0.1068","0.1313","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503883","7.036","0.006","12.707","0.01","10.176","0.008","90","","93.001","0.01","90","","908.6","1.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[(1-M-4-Am-1,2,4-Triaz)]2B12H12","","","- C6 H26 B12 N8 -","- C6 H26 B12 N8 -","- C12 H52 B24 N16 -","2","0.5","","Shackelford, Scott A.; Belletire, John L.; Boatz, Jerry A.; Schneider, Stefan; Wheaton, Amanda K.; Wight, Brett A.; Hudgens, Leslie M.; Ammon, Herman L.; Strauss, Steven H.","Pairing heterocyclic cations with closo-icosahedral borane and carborane anions. i. benchtop aqueous synthesis of binary triazolium and imidazolium salts with limited water solubility.","Organic letters","2009","11","12","2623","2626","10.1021/ol900550v","","","0.71073","MoKα","","0.0831","0.0657","","","0.1723","0.1921","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503884","11.59","0.005","8.959","0.004","12.229","0.005","90","","102.668","0.009","90","","1238.9","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[(1-Am-3-M-1,2,3-Triaz)]2B12H12.(CH3CN)2","","","- C10 H32 B12 N10 -","- C10 H32 B12 N10 -","- C20 H64 B24 N20 -","2","0.5","","Shackelford, Scott A.; Belletire, John L.; Boatz, Jerry A.; Schneider, Stefan; Wheaton, Amanda K.; Wight, Brett A.; Hudgens, Leslie M.; Ammon, Herman L.; Strauss, Steven H.","Pairing heterocyclic cations with closo-icosahedral borane and carborane anions. i. benchtop aqueous synthesis of binary triazolium and imidazolium salts with limited water solubility.","Organic letters","2009","11","12","2623","2626","10.1021/ol900550v","","","0.71073","MoKα","","0.1202","0.0628","","","0.1692","0.1993","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503885","7.395","0.0005","16.8827","0.0012","7.358","0.0007","90","","97.048","0.005","90","","911.69","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[(1-Am-3-H-1,2,3-Triaz)]2B12H12.(H2O)2","","","- C4 H26 B12 N8 O2 -","- C4 H26 B12 N8 O2 -","- C8 H52 B24 N16 O4 -","2","0.5","","Shackelford, Scott A.; Belletire, John L.; Boatz, Jerry A.; Schneider, Stefan; Wheaton, Amanda K.; Wight, Brett A.; Hudgens, Leslie M.; Ammon, Herman L.; Strauss, Steven H.","Pairing heterocyclic cations with closo-icosahedral borane and carborane anions. i. benchtop aqueous synthesis of binary triazolium and imidazolium salts with limited water solubility.","Organic letters","2009","11","12","2623","2626","10.1021/ol900550v","","","1.54178","CuKα","","0.0511","0.0508","","","0.1226","0.123","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503886","7.535","0.004","15.011","0.007","8.168","0.004","90","","90.329","0.007","90","","923.8","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[(1-M-3-H-Im)]2B12H12","","","- C8 H26 B12 N4 -","- C8 H26 B12 N4 -","- C16 H52 B24 N8 -","2","0.5","","Shackelford, Scott A.; Belletire, John L.; Boatz, Jerry A.; Schneider, Stefan; Wheaton, Amanda K.; Wight, Brett A.; Hudgens, Leslie M.; Ammon, Herman L.; Strauss, Steven H.","Pairing heterocyclic cations with closo-icosahedral borane and carborane anions. i. benchtop aqueous synthesis of binary triazolium and imidazolium salts with limited water solubility.","Organic letters","2009","11","12","2623","2626","10.1021/ol900550v","","","0.71073","MoKα","","0.1183","0.0785","","","0.1555","0.1725","","","","","","1.195","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503887","8.2681","0.0017","8.6731","0.0016","8.8457","0.0016","69.757","0.002","84.526","0.002","67.521","0.001","549.43","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","[(1-E-3-M-Im)]2B12H12","","","- C12 H34 B12 N4 -","- C12 H34 B12 N4 -","- C12 H34 B12 N4 -","1","0.5","","Shackelford, Scott A.; Belletire, John L.; Boatz, Jerry A.; Schneider, Stefan; Wheaton, Amanda K.; Wight, Brett A.; Hudgens, Leslie M.; Ammon, Herman L.; Strauss, Steven H.","Pairing heterocyclic cations with closo-icosahedral borane and carborane anions. i. benchtop aqueous synthesis of binary triazolium and imidazolium salts with limited water solubility.","Organic letters","2009","11","12","2623","2626","10.1021/ol900550v","","","0.71073","MoKα","","0.0544","0.0495","","","0.1451","0.1501","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503888","8.2514","0.001","11.4775","0.001","13.7766","0.001","73.867","0.008","79.099","0.007","89.638","0.008","1229.2","0.2","295","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 B F2 N2 -","- C27 H35 B F2 N2 -","- C54 H70 B2 F4 N4 -","2","1","","Ozdemir, Tugba; Atilgan, Serdar; Kutuk, Ilker; Yildirim, Leyla T.; Tulek, Abdullah; Bayindir, Mehmet; Akkaya, Engin U.","Solid-state emissive BODIPY dyes with bulky substituents as spacers.","Organic letters","2009","11","10","2105","2107","10.1021/ol9005568","","x-ray","0.71073","MoKα","","","0.0615","","","","0.1922","","","","","","0.951","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503889","6.7325","0.001","12.196","0.002","15.301","0.002","90","","101.739","0.01","90","","1230.1","0.3","293","2","","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C27 H35 B F2 N2 -","- C27 H35 B F2 N2 -","- C54 H70 B2 F4 N4 -","2","0.5","","Ozdemir, Tugba; Atilgan, Serdar; Kutuk, Ilker; Yildirim, Leyla T.; Tulek, Abdullah; Bayindir, Mehmet; Akkaya, Engin U.","Solid-state emissive BODIPY dyes with bulky substituents as spacers.","Organic letters","2009","11","10","2105","2107","10.1021/ol9005568","","x-ray","0.71073","MoKα","","","0.0738","","","","0.2193","","","","","","0.883","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503890","15.8842","0.0003","8.8279","0.0002","18.5716","0.0004","90","","95.747","0.001","90","","2591.1","0.09","140","2","140","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H32 Cl2 O6 -","- C29 H32 Cl2 O6 -","- C116 H128 Cl8 O24 -","4","2","","Chebny, Vincent J.; Navale, Tushar S.; Shukla, Ruchi; Lindeman, Sergey V.; Rathore, Rajendra","X-ray structural characterization of charge delocalization onto the three equivalent benzenoid rings in hexamethoxytriptycene cation radical.","Organic letters","2009","11","11","2253","2256","10.1021/ol900558s","","","1.54178","CuKα","","0.0497","0.0485","","","0.1349","0.1361","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503891","12.5195","0.0002","12.9701","0.0002","26.6144","0.0004","103.874","0.001","93.92","0.001","90.647","0.001","4184.02","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40.25 H44 Cl6 O6 Sb -","- C40.25 H44 Cl6 O6 Sb -","- C161 H176 Cl24 O24 Sb4 -","4","2","","Chebny, Vincent J.; Navale, Tushar S.; Shukla, Ruchi; Lindeman, Sergey V.; Rathore, Rajendra","X-ray structural characterization of charge delocalization onto the three equivalent benzenoid rings in hexamethoxytriptycene cation radical.","Organic letters","2009","11","11","2253","2256","10.1021/ol900558s","","","1.54178","CuKα","","0.059","0.0423","","","0.0925","0.0974","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503892","7.285","0.004","9.374","0.005","11.1","0.006","108.94","0.04","92.81","0.04","97.68","0.04","707.1","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 N3 O4 -","- C14 H8 N3 O3 -","- C28 H16 N6 O6 -","2","1","","Yi, Chenyi; Blum, Carmen; Liu, Shi-Xia; Keene, Tony D.; Frei, Gabriela; Neels, Antonia; Decurtins, Silvio","Isolable zwitterionic pyridinio-semiquinone pi-radicals. Mild and efficient single-step access to stable radicals.","Organic letters","2009","11","11","2261","2264","10.1021/ol900559p","","","0.71073","MoKα","","0.2853","0.0758","","","0.132","0.1763","","","","","","0.603","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503893","6.7684","0.0014","11.7812","0.0016","17.823","0.003","90","","101.12","0.015","90","","1394.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N3 O3 -","- C16 H12 N3 O3 -","- C64 H48 N12 O12 -","4","1","","Yi, Chenyi; Blum, Carmen; Liu, Shi-Xia; Keene, Tony D.; Frei, Gabriela; Neels, Antonia; Decurtins, Silvio","Isolable zwitterionic pyridinio-semiquinone pi-radicals. Mild and efficient single-step access to stable radicals.","Organic letters","2009","11","11","2261","2264","10.1021/ol900559p","","","0.71073","MoKα","","0.1336","0.0572","","","0.127","0.1524","","","","","","0.852","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503894","6.3879","0.0008","12.146","0.002","19.036","0.002","90","","98.293","0.01","90","","1461.5","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N3 O4 -","- C16 H12 N3 O4 -","- C64 H48 N12 O16 -","4","1","","Yi, Chenyi; Blum, Carmen; Liu, Shi-Xia; Keene, Tony D.; Frei, Gabriela; Neels, Antonia; Decurtins, Silvio","Isolable zwitterionic pyridinio-semiquinone pi-radicals. Mild and efficient single-step access to stable radicals.","Organic letters","2009","11","11","2261","2264","10.1021/ol900559p","","","0.71073","MoKα","","0.1433","0.0983","","","0.2605","0.2763","","","","","","0.988","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503895","8.7523","0.0006","10.4027","0.0007","27.1256","0.0019","90","","90","","90","","2469.7","0.3","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 Cl2 N O P Pd -","- C26 H28 Cl2 N O P Pd -","- C104 H112 Cl8 N4 O4 P4 Pd4 -","4","1","","Bélanger, Etienne; Pouliot, Marie-France; Paquin, Jean-François","Use of 5,5-(dimethyl)-i-Pr-PHOX as a practical equivalent to t-Bu-PHOX in asymmetric catalysis.","Organic letters","2009","11","10","2201","2204","10.1021/ol9005618","","","0.71073","MoKα","","0.0206","0.0191","","","0.0457","0.0464","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503896","10.466","0.0006","11.7421","0.0007","27.8012","0.0017","90","","90","","90","","3416.6","0.4","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C28 H32 Cl8 N O P Pd -","- C28 H32 Cl8 N O P Pd -","- C112 H128 Cl32 N4 O4 P4 Pd4 -","4","1","","Bélanger, Etienne; Pouliot, Marie-France; Paquin, Jean-François","Use of 5,5-(dimethyl)-i-Pr-PHOX as a practical equivalent to t-Bu-PHOX in asymmetric catalysis.","Organic letters","2009","11","10","2201","2204","10.1021/ol9005618","","","0.71073","MoKα","","0.0497","0.0468","","","0.1213","0.1229","","","","","","1.122","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503897","9.7231","0.0008","9.0749","0.0007","13.0834","0.001","90","","90","","90","","1154.43","0.16","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11 H18 N4 O2 -","- C11 H18 N4 O2 -","- C44 H72 N16 O8 -","4","1","","Kelly, Ann Rowley; Wei, Jingqiang; Kesavan, Sarathy; Marié, Jean-Charles; Windmon, Nicole; Young, Damian W.; Marcaurelle, Lisa A.","Accessing skeletal diversity using catalyst control: formation of n and n + 1 macrocyclic triazole rings.","Organic letters","2009","11","11","2257","2260","10.1021/ol900562u","","","0.71073","MoKα","","0.0281","0.0271","","","0.0716","0.0726","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503898","11.0654","0.001","7.8055","0.0007","14.9411","0.0013","90","","99.899","0.002","90","","1271.3","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H19 N4 O2.5 -","- C12 H19 N4 O2.5 -","- C48 H76 N16 O10 -","4","2","","Kelly, Ann Rowley; Wei, Jingqiang; Kesavan, Sarathy; Marié, Jean-Charles; Windmon, Nicole; Young, Damian W.; Marcaurelle, Lisa A.","Accessing skeletal diversity using catalyst control: formation of n and n + 1 macrocyclic triazole rings.","Organic letters","2009","11","11","2257","2260","10.1021/ol900562u","","","0.71073","MoKα","","0.0322","0.0307","","","0.0821","0.0838","","","","","","1.045","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503899","13.8807","0.0018","14.3918","0.0018","9.6755","0.0012","90","","107.133","0.002","90","","1847.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 Cl3 N4 O2 -","- C15 H23 Cl3 N4 O2 -","- C60 H92 Cl12 N16 O8 -","4","1","","Kelly, Ann Rowley; Wei, Jingqiang; Kesavan, Sarathy; Marié, Jean-Charles; Windmon, Nicole; Young, Damian W.; Marcaurelle, Lisa A.","Accessing skeletal diversity using catalyst control: formation of n and n + 1 macrocyclic triazole rings.","Organic letters","2009","11","11","2257","2260","10.1021/ol900562u","","","0.71073","MoKα","","0.0374","0.0312","","","0.079","0.0836","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503900","10.0146","0.0011","9.3156","0.001","16.9927","0.0019","90","","100.27","0.002","90","","1559.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 F2 N O3 S2 -","- C14 H13 F2 N O3 S2 -","- C56 H52 F8 N4 O12 S8 -","4","1","","Zhang, Wei; Wang, Fei; Hu, Jinbo","N-Tosyl-S-difluoromethyl-S-phenylsulfoximine: a new difluoromethylation reagent for S-, N-, and C-nucleophiles.","Organic letters","2009","11","10","2109","2112","10.1021/ol900567c","","","0.71073","MoKα","","0.0654","0.0478","","","0.1202","0.1298","","","","","","0.971","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503901","21.672","0.011","6.034","0.003","18.445","0.009","90","","111.168","0.008","90","","2249.3","1.9","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C26 H25 Br O4 -","- C26 H25 Br O4 -","- C104 H100 Br4 O16 -","4","1","","Nair, Vijay; Babu, Beneesh P.; Vellalath, Sreekumar; Varghese, Vimal; Raveendran, Anabha E.; Suresh, Eringathodi","Nucleophilic heterocyclic carbene catalyzed annulation of enals to chalcones in methanol: a stereoselective synthesis of highly functionalized cyclopentanes.","Organic letters","2009","11","12","2507","2510","10.1021/ol900571x","","","0.71073","MoKα","","0.1355","0.0784","","","0.1463","0.1653","","","","","","1.036","","","","has coordinates","288193","2023-12-08","17:12:23",""
"1503902","7.7578","0.0016","10.497","0.002","10.791","0.002","71.02","0.03","75.69","0.03","74.48","0.03","788.2","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C38 H34 N2 O6 -","2","1","","Yu, Wenquan; Du, Yunfei; Zhao, Kang","PIDA-mediated oxidative C-C bond formation: novel synthesis of indoles from N-aryl enamines.","Organic letters","2009","11","11","2417","2420","10.1021/ol900576a","","","0.71073","MoKα","","0.0428","0.0367","","","0.0984","0.1026","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503903","9.3344","0.0008","9.5233","0.0008","10.9791","0.0009","77.329","0.009","68.367","0.009","69.877","0.01","847.06","0.14","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","tert-butyl 4-iodo-2-(4-methoxyphenyl)-1H-pyrrole-1-carboxylate","","- C16 H18 I N O3 -","- C16 H18 I N O3 -","- C32 H36 I2 N2 O6 -","2","1","","Merkul, Eugen; Boersch, Christina; Frank, Walter; Müller, Thomas J J","Three-component synthesis of N-Boc-4-iodopyrroles and sequential one-pot alkynylation.","Organic letters","2009","11","11","2269","2272","10.1021/ol900581a","","","0.71073","MoKα","","0.0331","0.0301","","","0.0807","0.0817","","","","","","1.147","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503904","10.795","0.002","12.833","0.003","13.549","0.003","90","","90","","90","","1877","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Br O5 -","- C20 H23 Br O5 -","- C80 H92 Br4 O20 -","4","1","","Calter, Michael A.; Wang, Jun","Catalytic, asymmetric Michael reactions of cyclic diketones with beta,gamma-unsaturated alpha-ketoesters.","Organic letters","2009","11","10","2205","2208","10.1021/ol900586f","","","0.71073","MoKα","","0.0746","0.043","","","0.0716","0.0799","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503905","5.8676","0.0002","8.9556","0.0003","27.5262","0.0008","90","","90","","90","","1446.44","0.08","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Ruppel, Joshua V.; Gauthier, Ted J.; Snyder, Nicole L.; Perman, Jason A.; Zhang, X. Peter","Asymmetric Co(II)-catalyzed cyclopropanation with succinimidyl diazoacetate: general synthesis of chiral cyclopropyl carboxamides.","Organic letters","2009","11","11","2273","2276","10.1021/ol9005882","","","1.54178","CuKα","","0.052","0.0392","","","0.1048","0.1103","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503906","24.138","0.003","8.8059","0.0008","10.177","0.0011","90","","90","","90","","2163.2","0.4","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C28 H30 O4 -","- C28 H30 O4 -","- C112 H120 O16 -","4","1","","Mitasev, Branko; Porco, Jr, John A","Manganese(III)-mediated transformations of phloroglucinols: a formal oxidative [4 + 2] cycloaddition leading to bicyclo[2.2.2]octadiones.","Organic letters","2009","11","11","2285","2288","10.1021/ol900590t","","","0.71073","MoKα","","0.0625","0.042","","","0.0874","0.0958","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503907","9.9349","0.0004","10.4509","0.0005","11.9511","0.0005","69.982","0.002","81.438","0.002","88.119","0.002","1152.69","0.09","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H16 O2 -","- C12 H16 O2 -","- C48 H64 O8 -","4","2","","Yang, Yong-Sheng; Shen, Zhi-Liang; Loh, Teck-Peng","Zn/InCl(3)-mediated pinacol cross-coupling reactions of aldehydes with alpha,beta-unsaturated ketones in aqueous media.","Organic letters","2009","11","10","2213","2215","10.1021/ol900619d","","","0.71073","MoKα","","0.0797","0.0533","","","0.1505","0.1727","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503908","12.3541","0.0002","5.5088","0.0001","13.1359","0.0002","90","","100.053","0.0009","90","","880.25","0.03","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Donohoe, Timothy J.; Callens, Cedric K. A.; Thompson, Amber L.","Tethered aminohydroxylation (TA) reaction of amides.","Organic letters","2009","11","11","2305","2307","10.1021/ol900631y","","","0.71073","MoKα","","0.0756","0.046","","0.1152","0.1039","0.115","","","","","","0.9367","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503909","5.6093","0.0001","23.6664","0.0004","7.6037","0.0001","90","","109.911","0.0008","90","","949.07","0.03","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","1","","Donohoe, Timothy J.; Callens, Cedric K. A.; Thompson, Amber L.","Tethered aminohydroxylation (TA) reaction of amides.","Organic letters","2009","11","11","2305","2307","10.1021/ol900631y","","","0.71073","MoKα","","0.0452","0.0416","","0.0989","0.0971","0.0989","","","","","","0.976","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503910","6.1125","0.0001","15.5663","0.0003","11.1621","0.0002","90","","99.2961","0.0008","90","","1048.11","0.03","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C48 H60 N4 O8 -","4","1","","Donohoe, Timothy J.; Callens, Cedric K. A.; Thompson, Amber L.","Tethered aminohydroxylation (TA) reaction of amides.","Organic letters","2009","11","11","2305","2307","10.1021/ol900631y","","","0.71073","MoKα","","0.0443","0.0392","","0.0924","0.0891","0.0924","","","","","","0.9619","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503911","18.0508","0.0004","6.2709","0.0001","9.1222","0.0002","90","","100.999","0.0009","90","","1013.62","0.04","150","","150","","","","","","","","org. synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C44 H52 N4 O8 -","4","1","","Donohoe, Timothy J.; Callens, Cedric K. A.; Thompson, Amber L.","Tethered aminohydroxylation (TA) reaction of amides.","Organic letters","2009","11","11","2305","2307","10.1021/ol900631y","","","0.71073","MoKα","","0.0581","0.0429","","0.1061","0.0986","0.1061","","","","","","0.9412","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503912","6.0282","0.0001","12.9201","0.0002","14.5745","0.0002","90.8275","0.0006","93.8444","0.0006","100.014","0.0008","1114.93","0.03","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 N O2.5 -","- C12 H16 N O2.5 -","- C48 H64 N4 O10 -","4","2","","Donohoe, Timothy J.; Callens, Cedric K. A.; Thompson, Amber L.","Tethered aminohydroxylation (TA) reaction of amides.","Organic letters","2009","11","11","2305","2307","10.1021/ol900631y","","","0.71073","MoKα","","0.0542","0.0402","","0.1015","0.0962","0.1015","","","","","","0.9693","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503913","8.6393","0.0002","5.2004","0.0001","14.3361","0.0004","90","","90.8101","0.0012","90","","644.03","0.03","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H11 N O2 -","- C6 H11 N O2 -","- C24 H44 N4 O8 -","4","1","","Donohoe, Timothy J.; Callens, Cedric K. A.; Thompson, Amber L.","Tethered aminohydroxylation (TA) reaction of amides.","Organic letters","2009","11","11","2305","2307","10.1021/ol900631y","","","0.71073","MoKα","","0.0485","0.0377","","0.0869","0.0838","0.0869","","","","","","0.9792","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503914","22.3219","0.0004","22.3219","0.0004","12.1112","0.0003","90","","90","","120","","5226.13","0.19","150","","150","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C216 H270 N18 O36 -","18","1","","Donohoe, Timothy J.; Callens, Cedric K. A.; Thompson, Amber L.","Tethered aminohydroxylation (TA) reaction of amides.","Organic letters","2009","11","11","2305","2307","10.1021/ol900631y","","","0.71073","MoKα","","0.0548","0.0411","","0.1077","0.1007","0.1077","","","","","","0.9521","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503915","32.886","0.0012","6.0205","0.0003","14.9007","0.0007","90","","109.973","0.002","90","","2772.7","0.2","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C136 H136 N8 O16 -","8","1","","Donohoe, Timothy J.; Callens, Cedric K. A.; Thompson, Amber L.","Tethered aminohydroxylation (TA) reaction of amides.","Organic letters","2009","11","11","2305","2307","10.1021/ol900631y","","","0.71073","MoKα","","0.0989","0.0523","","0.1168","0.0988","0.1163","","","","","","0.9061","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503916","4.9749","0.0001","7.8699","0.0001","22.0125","0.0005","90","","95.2915","0.0008","90","","858.16","0.03","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 N O3 -","- C8 H15 N O3 -","- C32 H60 N4 O12 -","4","1","","Donohoe, Timothy J.; Callens, Cedric K. A.; Thompson, Amber L.","Tethered aminohydroxylation (TA) reaction of amides.","Organic letters","2009","11","11","2305","2307","10.1021/ol900631y","","","0.71073","MoKα","","0.0434","0.0389","","0.0966","0.0949","0.0966","","","","","","1.0088","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503917","18.3496","0.0003","9.3578","0.0002","11.8645","0.0002","90","","120.022","0.0009","90","","1763.94","0.06","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H15 N O2 -","- C9 H15 N O2 -","- C72 H120 N8 O16 -","8","1","","Donohoe, Timothy J.; Callens, Cedric K. A.; Thompson, Amber L.","Tethered aminohydroxylation (TA) reaction of amides.","Organic letters","2009","11","11","2305","2307","10.1021/ol900631y","","","0.71073","MoKα","","0.0472","0.0364","","0.0854","0.0813","0.0854","","","","","","0.9426","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503918","11.2229","0.0002","22.1408","0.0004","7.3452","0.0001","90","","116.176","0.0009","90","","1637.98","0.05","150","","150","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C14 H27 N3 O4 Os -","- C14 H27 N3 O4 Os -","- C56 H108 N12 O16 Os4 -","4","1","","Donohoe, Timothy J.; Callens, Cedric K. A.; Thompson, Amber L.","Tethered aminohydroxylation (TA) reaction of amides.","Organic letters","2009","11","11","2305","2307","10.1021/ol900631y","","","0.71073","MoKα","","0.023","0.0225","","0.0584","0.0579","0.0584","","","","","","0.9614","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503919","7.6848","0.0017","10.09","0.002","17.842","0.004","90","","90","","90","","1383.5","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","09032a","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","1","","Hayashi, Ryuji; Hsung, Richard P.; Feltenberger, John B.; Lohse, Andrew G.","Regio- and stereoselective isomerizations of allenamides: synthesis of 2-amido-dienes and their tandem isomerization-electrocyclic ring-closure.","Organic letters","2009","11","10","2125","2128","10.1021/ol900647s","","","0.71073","MoKα","","0.0357","0.0297","","","0.0784","0.084","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503920","8.0655","0.0004","19.1953","0.001","11.1304","0.0006","90","","92.144","0.001","90","","1722","0.15","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O S -","- C21 H21 N O S -","- C84 H84 N4 O4 S4 -","4","1","","Clayden, Jonathan; Fletcher, Stephen P.; Rowbottom, S. J. M.; Helliwell, Madeleine","Conformational preferences of a polar biaryl: a phase- and enantiomeric purity-dependent molecular hinge.","Organic letters","2009","11","11","2313","2316","10.1021/ol9006635","","","0.71073","MoKα","","0.038","0.0358","","","0.0972","0.099","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503921","9.7337","0.0007","9.7337","0.0007","32.624","0.005","90","","90","","120","","2676.8","0.5","100","2","100","2","","","","","","","","5","P 31","P 31","144","","","","- C21 H22 N O1.5 S -","- C21 H22 N O1.5 S -","- C126 H132 N6 O9 S6 -","6","2","","Clayden, Jonathan; Fletcher, Stephen P.; Rowbottom, S. J. M.; Helliwell, Madeleine","Conformational preferences of a polar biaryl: a phase- and enantiomeric purity-dependent molecular hinge.","Organic letters","2009","11","11","2313","2316","10.1021/ol9006635","","","0.71073","MoKα","","0.0625","0.0467","","","0.0768","0.0803","","","","","","0.869","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503922","9.958","0.002","14.194","0.003","6.82","0.0014","90","","109.25","0.03","90","","910.1","0.4","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 Cl N2 -","- C10 H7 Cl N2 -","- C40 H28 Cl4 N8 -","4","1","","Li, Xiaoxun; Du, Yunfei; Liang, Zhidan; Li, Xiangke; Pan, Yan; Zhao, Kang","Simple conversion of enamines to 2H-azirines and their rearrangements under thermal conditions.","Organic letters","2009","11","12","2643","2646","10.1021/ol9006663","","","0.71073","MoKα","","0.0368","0.0295","","","0.0853","0.0888","","","","","","1.131","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503923","6.9189","0.0014","7.062","0.0014","11.947","0.002","74.48","0.03","74.71","0.03","66.39","0.03","507.2","0.2","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H10 N2 O3 -","- C11 H10 N2 O3 -","- C22 H20 N4 O6 -","2","1","","Li, Xiaoxun; Du, Yunfei; Liang, Zhidan; Li, Xiangke; Pan, Yan; Zhao, Kang","Simple conversion of enamines to 2H-azirines and their rearrangements under thermal conditions.","Organic letters","2009","11","12","2643","2646","10.1021/ol9006663","","","0.71073","MoKα","","0.0462","0.0366","","","0.0921","0.0966","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503924","6.7893","0.0002","10.428","0.0002","23.669","0.0005","90","","90","","90","","1675.74","0.07","100","2","100","2","","","","","","","synthesized","6","P 21 21 21","P 2ac 2ab","19","6-(1-hydroxy-1-methyl-ethyl)-3,3-dimethyl- 7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid","","","- C12 H18 Cl3 N O4 S -","- C12 H18 Cl3 N O4 S -","- C48 H72 Cl12 N4 O16 S4 -","4","1","","Testero, Sebastian A.; O'Daniel, Peter I; Shi, Qicun; Lee, Mijoon; Hesek, Dusan; Ishiwata, Akihiro; Noll, Bruce C.; Mobashery, Shahriar","Regiospecific syntheses of 6alpha-(1R-Hydroxyoctyl)penicillanic acid and 6beta-(1R-hydroxyoctyl)penicillanic acid as mechanistic probes of class D beta-lactamases.","Organic letters","2009","11","12","2515","2518","10.1021/ol900668k","","x-ray","1.54178","CuKα","","0.0236","0.0234","","","0.0605","0.0606","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503925","9.2806","0.0006","9.818","0.0006","25.3589","0.0016","90","","90.301","0.002","90","","2310.6","0.3","100","2","100","2","","","","","","","synthesized","6","P 1 21 1","P 2yb","4","6-(1-hydroxy-1-methyl-ethyl)-3,3-dimethyl- 7-oxo-4-thia-1-aza-bicyclo[3.2.0]heptane- 2-carboxylic acid benzhydryl ester","","","- C24 H26 Br N O4 S -","- C24 H26 Br N O4 S -","- C96 H104 Br4 N4 O16 S4 -","4","2","","Testero, Sebastian A.; O'Daniel, Peter I; Shi, Qicun; Lee, Mijoon; Hesek, Dusan; Ishiwata, Akihiro; Noll, Bruce C.; Mobashery, Shahriar","Regiospecific syntheses of 6alpha-(1R-Hydroxyoctyl)penicillanic acid and 6beta-(1R-hydroxyoctyl)penicillanic acid as mechanistic probes of class D beta-lactamases.","Organic letters","2009","11","12","2515","2518","10.1021/ol900668k","","x-ray","1.54178","CuKα","","0.0217","0.0216","","","0.0529","0.053","","","","","","1.095","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503926","10.102","0.0003","12.1513","0.0004","16.7878","0.0005","90","","90","","90","","2060.74","0.11","100","2","100","2","","","","","","","synthesized","6","P 21 21 21","P 2ac 2ab","19","Benzhydryl 6,6-dibromopenicillanate","","","- C21 H19 Br2 N O3 S -","- C21 H19 Br2 N O3 S -","- C84 H76 Br8 N4 O12 S4 -","4","1","","Testero, Sebastian A.; O'Daniel, Peter I; Shi, Qicun; Lee, Mijoon; Hesek, Dusan; Ishiwata, Akihiro; Noll, Bruce C.; Mobashery, Shahriar","Regiospecific syntheses of 6alpha-(1R-Hydroxyoctyl)penicillanic acid and 6beta-(1R-hydroxyoctyl)penicillanic acid as mechanistic probes of class D beta-lactamases.","Organic letters","2009","11","12","2515","2518","10.1021/ol900668k","","x-ray","1.54178","CuKα","","0.0301","0.03","","","0.0762","0.0763","","","","","","1.137","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503927","11.269","0.003","5.309","0.0016","12.835","0.004","90","","90.832","0.005","90","","767.8","0.4","100","2","100","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C16 H20 O7 -","- C16 H20 O7 -","- C32 H40 O14 -","2","0.5","","Schneider, Tobias F.; Kaschel, Johannes; Dittrich, Birger; Werz, Daniel B.","anti-Oligoannelated THF moieties: synthesis via push-pull-substituted cyclopropanes.","Organic letters","2009","11","11","2317","2320","10.1021/ol900694m","","","0.71073","MoKα","","0.0806","0.0556","","","0.1256","0.1408","","","","","","1.082","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503928","6.1208","0.0007","9.984","0.002","17.437","0.002","90","","90","","90","","1065.6","0.3","100","2","100","2","","","","","","","synthesis","3","C 2 2 21","C 2c 2","20","all-anti-Pentatetrahydrofuran","all-anti-2,3,4-5-Tetrakis(tetrahydrofuro)furan","","- C12 H12 O5 -","- C12 H12 O5 -","- C48 H48 O20 -","4","0.5","","Schneider, Tobias F.; Kaschel, Johannes; Dittrich, Birger; Werz, Daniel B.","anti-Oligoannelated THF moieties: synthesis via push-pull-substituted cyclopropanes.","Organic letters","2009","11","11","2317","2320","10.1021/ol900694m","","","0.7107","MoKα","","0.0422","0.0293","","","","0.0379","","","","","","1.6922","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503929","42.329","0.008","5.8139","0.0013","11.242","0.002","90","","90","","90","","2766.6","0.9","100","2","100","2","","","","","","","","3","F d d 2","F 2 -2d","43","all-anti-Heptatetrahydrofuran","all-anti-2,3,4-5-Hexakis(tetrahydrofuro)furan","","- C16 H16 O7 -","- C16 H16 O7 -","- C128 H128 O56 -","8","0.5","","Schneider, Tobias F.; Kaschel, Johannes; Dittrich, Birger; Werz, Daniel B.","anti-Oligoannelated THF moieties: synthesis via push-pull-substituted cyclopropanes.","Organic letters","2009","11","11","2317","2320","10.1021/ol900694m","","","1.54178","CuKα","","0.063","0.0612","","","0.1711","0.172","","","","","","1.189","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503930","5.7503","0.0006","10.5035","0.0011","14.432","0.0015","87.326","0.002","82.357","0.002","81.262","0.002","853.59","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C38 H44 N4 O6 -","2","1","","Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong","One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction.","Organic letters","2009","11","11","2333","2336","10.1021/ol900708d","","","0.71073","MoKα","","0.0708","0.063","","","0.1849","0.1975","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503931","5.7787","0.0005","10.6482","0.001","14.3895","0.0014","86.801","0.002","78.749","0.002","78.606","0.002","851.16","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C38 H44 N4 O6 -","2","1","","Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong","One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction.","Organic letters","2009","11","11","2333","2336","10.1021/ol900708d","","","0.71073","MoKα","","0.0654","0.0525","","","0.1426","0.1552","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503932","9.7178","0.0008","12.0387","0.001","29.641","0.003","90","","90","","90","","3467.7","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H26 N2 O3 -","- C18 H26 N2 O3 -","- C144 H208 N16 O24 -","8","1","","Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong","One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction.","Organic letters","2009","11","11","2333","2336","10.1021/ol900708d","","","0.71073","MoKα","","0.0591","0.0456","","","0.1213","0.1339","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503933","9.1658","0.0011","10.0683","0.0012","20.92","0.002","90","","90","","90","","1930.6","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C80 H96 N8 O12 -","4","1","","Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong","One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction.","Organic letters","2009","11","11","2333","2336","10.1021/ol900708d","","","0.71073","MoKα","","0.0691","0.0527","","","0.1433","0.1604","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503934","10.3321","0.0009","12.9156","0.0011","14.6989","0.0012","90","","90","","90","","1961.5","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H26 N2 O5 -","- C18 H26 N2 O5 -","- C72 H104 N8 O20 -","4","1","","Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong","One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction.","Organic letters","2009","11","11","2333","2336","10.1021/ol900708d","","","0.71073","MoKα","","0.0688","0.0464","","","0.113","0.1272","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503935","13.1001","0.001","10.7849","0.0008","13.7862","0.0011","90","","93.266","0.001","90","","1944.6","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H26 N2 O5 -","- C18 H26 N2 O5 -","- C72 H104 N8 O20 -","4","2","","Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong","One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction.","Organic letters","2009","11","11","2333","2336","10.1021/ol900708d","","","0.71073","MoKα","","0.0529","0.0436","","","0.1169","0.1268","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503936","8.1499","0.0005","11.39","0.0007","21.5007","0.0014","90","","90","","90","","1995.9","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C84 H104 N8 O16 -","4","1","","Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong","One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction.","Organic letters","2009","11","11","2333","2336","10.1021/ol900708d","","","0.71073","MoKα","","0.0485","0.0402","","","0.1061","0.1136","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503937","8.5922","0.0006","15.1199","0.0011","15.2994","0.0011","90","","90","","90","","1987.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C84 H104 N8 O16 -","4","1","","Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong","One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction.","Organic letters","2009","11","11","2333","2336","10.1021/ol900708d","","","0.71073","MoKα","","0.0547","0.0423","","","0.106","0.1149","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503938","9.3075","0.0005","16.2765","0.0009","12.9681","0.0007","90","","97.095","0.001","90","","1949.54","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N3 O5 -","- C20 H23 N3 O5 -","- C80 H92 N12 O20 -","4","1","","Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong","One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction.","Organic letters","2009","11","11","2333","2336","10.1021/ol900708d","","","0.71073","MoKα","","0.0589","0.0478","","","0.1323","0.1437","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503939","8.266","0.001","8.6189","0.001","13.5928","0.0017","90.56","0.002","92.301","0.002","97.502","0.002","959.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N3 O5 -","- C20 H23 N3 O5 -","- C40 H46 N6 O10 -","2","1","","Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong","One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction.","Organic letters","2009","11","11","2333","2336","10.1021/ol900708d","","","0.71073","MoKα","","0.0704","0.0589","","","0.1616","0.1735","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503940","13.0395","0.0008","14.0038","0.0008","10.7809","0.0006","90","","98.343","0.001","90","","1947.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H23 N3 O5 -","- C20 H23 N3 O5 -","- C80 H92 N12 O20 -","4","1","","Chen, Yunfeng; Zhong, Cheng; Petersen, Jeffrey L.; Akhmedov, Novruz G.; Shi, Xiaodong","One-pot asymmetric synthesis of substituted piperidines by exocyclic chirality induction.","Organic letters","2009","11","11","2333","2336","10.1021/ol900708d","","","0.71073","MoKα","","0.0721","0.0515","","","0.141","0.158","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503941","14.085","0.002","14.146","0.002","19.443","0.003","90","","90","","90","","3873.9","1","120","","120","","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C77 H42 Cl4 F24 O4 P4 Rh2 -","- C77 H42 Cl4 F24 O4 P4 Rh2 -","- C154 H84 Cl8 F48 O8 P8 Rh4 -","2","0.5","","Korenaga, Toshinobu; Osaki, Kazutaka; Maenishi, Ryota; Sakai, Takashi","Electron-poor chiral diphosphine ligands: high performance for Rh-catalyzed asymmetric 1,4-addition of arylboronic acids at room temperature.","Organic letters","2009","11","11","2325","2328","10.1021/ol900719z","","","0.71073","MoKα","","0.1159","0.0781","","","0.1951","0.211","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503942","5.841","0.0007","10.3833","0.0013","12.1823","0.0015","68.924","0.002","77.652","0.002","84.613","0.002","673.35","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C32 H38 N2 O4 -","2","1","","Han, Xiuling; Lu, Xiyan","Novel palladium-catalyzed acyloxylation/cyclization of 2-(3'-alkenyl)indoles.","Organic letters","2009","11","11","2381","2384","10.1021/ol9007348","","","0.71073","MoKα","","0.0613","0.0533","","","0.1461","0.1528","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503943","6.936","0.002","17.283","0.004","20.657","0.005","90","","90","","90","","2476.3","1.1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","N-((4E,5Z)-5-amino-4,5-bis(hydroxyimino)pentyl) -3H-pyrrole-5-carboxamide","","- C10 H15 N5 O3 -","- C10 H15 N5 O3 -","- C80 H120 N40 O24 -","8","1","","Picon, Sylvain; Tran, Huu Dau Elise; Martin, Marie-Thérèse; Retailleau, Pascal; Zaparucha, Anne; Al-Mourabit, Ali","Biomimetically inspired short access to the 2-aminoimidazole-fused tetracyclic core of (+/-)-dibromoagelaspongin.","Organic letters","2009","11","12","2523","2526","10.1021/ol900745c","","","0.71069","MoKα","","0.0662","0.0428","","","0.1085","0.1213","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503944","11.905","0.004","13.448","0.005","12.532","0.005","90","","118.03","0.02","90","","1771","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,3-dibromo-6,6-deuterated dihydroxy-4a-(pyrimidin-2-yl deuterated amino) -5,6,7,8-tetrahydro-4aH, 10Hpyrrolo[1',2':3,4]imidazo[1,2-a]pyridin-10-one deuterated hydrate","","- C14 H10 Br2 D5 N5 O4 -","- C14 H10 Br2 D5 N5 O4 -","- C56 H40 Br8 D20 N20 O16 -","4","1","","Picon, Sylvain; Tran, Huu Dau Elise; Martin, Marie-Thérèse; Retailleau, Pascal; Zaparucha, Anne; Al-Mourabit, Ali","Biomimetically inspired short access to the 2-aminoimidazole-fused tetracyclic core of (+/-)-dibromoagelaspongin.","Organic letters","2009","11","12","2523","2526","10.1021/ol900745c","","","0.71069","MoKα","","0.1109","0.0558","","","0.1159","0.1376","","","","","","1.032","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503945","38.18","0.003","8.344","0.0006","14.4486","0.0009","90","","108.287","0.001","90","","4370.5","0.5","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 O6 -","- C25 H22 O6 -","- C200 H176 O48 -","8","1","","Wang, Kung K.; Wang, Yu-Hsuan; Yang, Hua; Akhmedov, Novruz G.; Petersen, Jeffrey L.","Synthesis of a C(56)H(40) hydrocarbon bearing a 54-carbon framework of C(60).","Organic letters","2009","11","12","2527","2530","10.1021/ol900749a","","","0.71073","MoKα","","0.0727","0.0487","","","0.1324","0.1512","","","","","","1.012","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503946","16.5901","0.0013","6.2077","0.0005","21.518","0.002","90","","112.619","0.001","90","","2045.6","0.3","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 O5 -","- C24 H24 O5 -","- C96 H96 O20 -","4","1","","Wang, Kung K.; Wang, Yu-Hsuan; Yang, Hua; Akhmedov, Novruz G.; Petersen, Jeffrey L.","Synthesis of a C(56)H(40) hydrocarbon bearing a 54-carbon framework of C(60).","Organic letters","2009","11","12","2527","2530","10.1021/ol900749a","","","0.71073","MoKα","","0.0702","0.0481","","","0.1263","0.1403","","","","","","1.041","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503947","14.3259","0.0012","10.8416","0.0009","18.3401","0.0015","90","","96.073","0.002","90","","2832.5","0.4","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H28 O3 -","- C40 H28 O3 -","- C160 H112 O12 -","4","1","","Wang, Kung K.; Wang, Yu-Hsuan; Yang, Hua; Akhmedov, Novruz G.; Petersen, Jeffrey L.","Synthesis of a C(56)H(40) hydrocarbon bearing a 54-carbon framework of C(60).","Organic letters","2009","11","12","2527","2530","10.1021/ol900749a","","","0.71073","MoKα","","0.1098","0.0597","","","0.1495","0.1777","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503948","11.0096","0.0009","11.961","0.001","23.52","0.002","90","","96.074","0.001","90","","3079.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 I2 O2 -","- C40 H28 I2 O2 -","- C160 H112 I8 O8 -","4","1","","Wang, Kung K.; Wang, Yu-Hsuan; Yang, Hua; Akhmedov, Novruz G.; Petersen, Jeffrey L.","Synthesis of a C(56)H(40) hydrocarbon bearing a 54-carbon framework of C(60).","Organic letters","2009","11","12","2527","2530","10.1021/ol900749a","","","0.71073","MoKα","","0.0507","0.0423","","","0.1166","0.1223","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503949","10.2108","0.0007","14.0601","0.0009","18.1008","0.0012","88.627","0.001","88.322","0.001","70.761","0.001","2452.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H40 Cl4 I2 O2 -","- C57 H38 Cl2 I2 O2 -","- C114 H76 Cl4 I4 O4 -","2","1","","Wang, Kung K.; Wang, Yu-Hsuan; Yang, Hua; Akhmedov, Novruz G.; Petersen, Jeffrey L.","Synthesis of a C(56)H(40) hydrocarbon bearing a 54-carbon framework of C(60).","Organic letters","2009","11","12","2527","2530","10.1021/ol900749a","","","0.71073","MoKα","","0.0847","0.0691","","","0.1955","0.2091","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503950","32.948","0.003","17.014","0.001","31.987","0.002","90","","90","","90","","17931","2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C57.5 H40.5 Cl I2 O -","- C56 H37 Cl I2 O -","- C896 H592 Cl16 I32 O16 -","16","2","","Wang, Kung K.; Wang, Yu-Hsuan; Yang, Hua; Akhmedov, Novruz G.; Petersen, Jeffrey L.","Synthesis of a C(56)H(40) hydrocarbon bearing a 54-carbon framework of C(60).","Organic letters","2009","11","12","2527","2530","10.1021/ol900749a","","","0.71073","MoKα","","0.0955","0.0695","","","0.1946","0.2096","","","","","","1.106","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503951","12.846","0.002","17.476","0.003","15.118","0.002","90","","90.186","0.002","90","","3393.9","0.9","260","2","260","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C160 H200 N8 O16 -","8","2","","Tian, Xia; Huters, Alexander D.; Douglas, Colin J.; Garg, Neil K.","Concise synthesis of the bicyclic scaffold of N-methylwelwitindolinone C isothiocyanate via an indolyne cyclization.","Organic letters","2009","11","11","2349","2351","10.1021/ol9007684","","","0.71073","MoKα","","0.0906","0.0516","","","0.1352","0.1488","","","","","","0.925","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503952","27.2828","0.0005","7.17088","0.00013","15.7671","0.0003","90","","106.857","0.0007","90","","2952.16","0.1","93.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C160 H144 O24 -","8","2","","Kuninobu, Yoichiro; Morita, Junya; Nishi, Mitsumi; Kawata, Atsushi; Takai, Kazuhiko","Rhenium-catalyzed formation of bicyclo[3.3.1]nonene frameworks by a reaction of cyclic beta-keto esters with terminal alkynes.","Organic letters","2009","11","12","2535","2537","10.1021/ol900772h","","","1.54187","CuKα","","","0.0713","","","","0.1949","","","","","","1.062","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503953","12.7416","0.0003","13.0016","0.0003","23.9379","0.0007","77.838","0.001","86.008","0.001","69.139","0.002","3622.39","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H66 Cl6 N8 O3 Zn -","- C86 H66 Cl6 N8 O3 Zn -","- C172 H132 Cl12 N16 O6 Zn2 -","2","1","","Lo, Mamadou; Mahajan, Dinesh; Wytko, Jennifer A.; Boudon, Corinne; Weiss, Jean","Toward generic models of hemoproteins.","Organic letters","2009","11","12","2487","2490","10.1021/ol900774d","","","0.71073","MoKα","","0.1333","0.0866","","","0.2002","0.224","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503954","20.4836","0.0011","4.609","0.0002","15.63","0.0009","90","","97.35","0.002","90","","1463.49","0.13","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 N2 O2 -","- C18 H20 N2 O2 -","- C72 H80 N8 O8 -","4","0.5","","Xiao, Jian; Loh, Teck-Peng","Design, synthesis and optical resolution of new bifunctional ligand: 1,1'-dimethyl-octahydro-8,8'-biquinoline-7,7'-diol.","Organic letters","2009","11","13","2876","2879","10.1021/ol900790z","","","0.71073","MoKα","","0.0554","0.047","","","0.1313","0.1442","","","","","","1.073","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503955","12.3403","0.0004","14.6166","0.0004","15.2085","0.0005","90","","90","","90","","2743.21","0.15","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H42 N2 O4 -","- C31 H42 N2 O4 -","- C124 H168 N8 O16 -","4","1","","Xiao, Jian; Loh, Teck-Peng","Design, synthesis and optical resolution of new bifunctional ligand: 1,1'-dimethyl-octahydro-8,8'-biquinoline-7,7'-diol.","Organic letters","2009","11","13","2876","2879","10.1021/ol900790z","","","0.71073","MoKα","","0.0596","0.0421","","","0.1068","0.1319","","","","","","1.184","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503956","9.4826","0.0006","11.5606","0.0008","14.2207","0.0009","68.11","0.001","78.325","0.001","84.522","0.001","1416.27","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H23 B O2 -","- C15 H23 B O2 -","- C60 H92 B4 O8 -","4","2","","Erdyakov, Sergey Yu; Ignatenko, Anatolii V.; Potapova, Tamara V.; Lyssenko, Konstantin A.; Gurskii, Mikhail E.; Bubnov, Yuri N.","Design of bicyclic and cage boron compounds based on allylboration of acetylenes with allyldichloroboranes.","Organic letters","2009","11","13","2872","2875","10.1021/ol900793r","","","0.71073","MoKα","","0.0896","0.0568","","","0.1444","0.168","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503957","11.2017","0.0017","13.174","0.002","13.299","0.002","66.3","0.003","79.906","0.003","72.084","0.003","1706.9","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H34 B N -","- C20 H34 B N -","- C80 H136 B4 N4 -","4","2","","Erdyakov, Sergey Yu; Ignatenko, Anatolii V.; Potapova, Tamara V.; Lyssenko, Konstantin A.; Gurskii, Mikhail E.; Bubnov, Yuri N.","Design of bicyclic and cage boron compounds based on allylboration of acetylenes with allyldichloroboranes.","Organic letters","2009","11","13","2872","2875","10.1021/ol900793r","","","0.71073","MoKα","","0.14","0.0635","","","0.1304","0.1643","","","","","","0.947","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503958","13.756","0.003","16.679","0.004","19.491","0.004","97.186","0.003","107.111","0.003","107.699","0.003","3957.1","1.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H102 Cl6 O4 S8 -","- C74 H102 Cl6 O4 S8 -","- C148 H204 Cl12 O8 S16 -","2","1","","Chen, Guang; Dawe, Louise; Wang, Li; Zhao, Yuming","Planar acetylene-expanded TTFAQ analogues.","Organic letters","2009","11","13","2736","2739","10.1021/ol900794j","","","0.71075","MoKα","","0.0585","0.0516","","","0.1235","0.1295","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503959","9.5388","0.0006","14.56","0.001","10.9484","0.0007","90","","109.057","0.004","90","","1437.23","0.17","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H30 F6 N2 O3 -","- C31 H30 F6 N2 O3 -","- C62 H60 F12 N4 O6 -","2","1","","Wen, Yuehong; Zhao, Baoguo; Shi, Yian","Cu(I)-catalyzed diamination of disubstituted terminal olefins: an approach to potent NK1 antagonist.","Organic letters","2009","11","11","2365","2368","10.1021/ol900808z","","","0.71073","MoKα","","0.1293","0.0562","","","0.1185","0.1478","","","","","","0.967","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503960","9.079","0.008","11.625","0.009","11.712","0.01","90","0.002","112.694","0.003","90","0.002","1140.4","1.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","BTS","BTS","","- C12 H6 Se3 -","- C15.51 H4.5 Se2.37 -","- C62.04 H18 Se9.48 -","4","1","","Kashiki, Tomoya; Shinamura, Shoji; Kohara, Masahiro; Miyazaki, Eigo; Takimiya, Kazuo; Ikeda, Masaaki; Kuwabara, Hirokazu","One-pot synthesis of benzo[b]thiophenes and benzo[b]selenophenes from o-halo-substituted ethynylbenzenes: convenient approach to mono-, bis-, and tris-chalcogenophene-annulated benzenes.","Organic letters","2009","11","11","2473","2475","10.1021/ol900809w","","","0.7107","MoKα","","0.0793","0.0571","","","0.1576","0.1706","","","","","","0.953","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503961","25.1341","0.0012","9.5269","0.0005","16.8986","0.0008","90","","128.434","0.001","90","","3169.6","0.3","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","<i>(E)</i> Ethyl-3-(2'-tertbutyl-3'-ethoxycarbonyl-2'-(1"",1""-bistrimethylsilyl-2"",2"",2""- trimethyldisilanyl)cyclop-1'-yl)-prop-2-enoate","","- C24 H50 O5 Si4 -","- C24 H50 O5 Si4 -","- C96 H200 O20 Si16 -","4","1","","Bower, Justin; Box, Matthew R.; Czyzewski, Michal; Goeta, Andres E.; Steel, Patrick G.","Acyl polysilanes: new acyl anion equivalents for additions to electron-deficient alkenes.","Organic letters","2009","11","13","2744","2747","10.1021/ol900813z","","","0.71073","MoKα","","0.0556","0.052","","","0.1593","0.1635","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503962","9.4608","0.0005","13.0758","0.0006","14.0284","0.0008","90","","90","","90","","1735.42","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(2,2,2-Trichloro-acetyl)-carbamic acid (1R,2S,3S,4S,7R,8S)- 4-methoxymethyl-11-oxatricyclo[6.2.1.0^2,7^]undeca-5,9- dien-3-yl ester","","- C15 H16 Cl3 N O5 -","- C15 H16 Cl3 N O5 -","- C60 H64 Cl12 N4 O20 -","4","1","","Gromov, Alexey; Enev, Valentin; Mulzer, Johann","A desymmetrization approach toward highly oxygenated cis-decalins.","Organic letters","2009","11","13","2884","2886","10.1021/ol900834c","","","0.71073","MoKα","","0.0304","0.0276","","","0.0758","0.0779","","","","","","1.057","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503963","6.9194","0.0002","7.8312","0.0002","30.9251","0.0009","90","","90","","90","","1675.74","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1aR,2R,3R,3aS,7aR,7bS)-3-(4-Methoxy-benzyloxy)-2- methoxymethyl-1a,3,3a,7,7a,7b-hexahydro-2H-1-oxa- cyclopropa[a]naphthalen-4-one","","- C20 H24 O5 -","- C20 H24 O5 -","- C80 H96 O20 -","4","1","","Gromov, Alexey; Enev, Valentin; Mulzer, Johann","A desymmetrization approach toward highly oxygenated cis-decalins.","Organic letters","2009","11","13","2884","2886","10.1021/ol900834c","","","0.71073","MoKα","","0.0339","0.031","","","0.081","0.083","","","","","","1.021","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503964","7.7299","0.0013","9.2123","0.0015","12.422","0.002","69.112","0.002","81.845","0.002","85.655","0.002","817.8","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H21 S -","- C21 H21 S -","- C42 H42 S2 -","2","1","","Wang, Jing; Liu, Ke; Liu, Yi-Yang; Song, Cheng-Li; Shi, Zi-Fa; Peng, Jun-Biao; Zhang, Hao-Li; Cao, Xiao-Ping","New oligothiophene-pentacene hybrids as highly stable and soluble organic semiconductors.","Organic letters","2009","11","12","2563","2566","10.1021/ol900838a","","","0.71073","MoKα","","0.0489","0.0413","","","0.1171","0.1329","","","","","","0.584","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503965","9.7999","0.0001","10.2406","0.0001","11.7764","0.0002","90","","90","","90","","1181.84","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N O2 -","- C14 H17 N O2 -","- C56 H68 N4 O8 -","4","1","","Zoute, Ludivine; Kociok-Köhn, Gabriele; Frost, Christopher G.","Rhodium-catalyzed 1,4-additions to enantiopure acceptors: asymmetric synthesis of functionalized pyrrolizidinones.","Organic letters","2009","11","12","2491","2494","10.1021/ol900843a","","","0.71073","MoKα","","0.0363","0.0329","","","0.0854","0.0878","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503966","13.711","0.0007","13.7756","0.0007","14.9349","0.0007","97.877","0.001","95.04","0.001","92.744","0.001","2778.3","0.2","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H50 N4 O10 -","- C62 H50 N4 O10 -","- C124 H100 N8 O20 -","2","1","","She, Nengfang; Gao, Meng; Cao, Liping; Wu, Anxin; Isaacs, Lyle","Sensor for nitrophenol based on a fluorescent molecular clip.","Organic letters","2009","11","12","2603","2606","10.1021/ol900858d","","","0.71073","MoKα","","0.162","0.1265","","","0.3477","0.3775","","","","","","1.307","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503967","9.5509","0.0002","11.1823","0.0003","20.0306","0.0003","90","","90","","90","","2139.29","0.08","208","2","208","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(-)-Arboricine","","- C24 H30 N2 O3 -","- C24 H30 N2 O3 -","- C96 H120 N8 O12 -","4","1","","Wanner, Martin J.; Boots, Rowan N. A.; Eradus, Bram; de Gelder, René; van Maarseveen, Jan H.; Hiemstra, Henk","Organocatalytic enantioselective total synthesis of (-)-arboricine.","Organic letters","2009","11","12","2579","2581","10.1021/ol900888e","","","1.54184","CuKα","","0.0286","0.0277","","0.0711","0.0703","0.0711","","","1.062","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503968","11.2189","0.001","11.3198","0.001","8.7223","0.0008","90","","92.1671","0.0015","90","","1106.9","0.17","90","2","90","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C48 H56 N8 O8 -","4","2","","Oakdale, James S.; Solano, Danielle M.; Fettinger, James C.; Haddadin, Makhluf J.; Kurth, Mark J.","An oxazolo[3,2-b]indazole route to 1H-indazolones.","Organic letters","2009","11","13","2760","2763","10.1021/ol900891s","","","0.71073","MoKα","","0.0386","0.0319","","","0.0751","0.0797","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503969","10.481","0.005","12.266","0.005","13.619","0.005","101.824","0.014","93.497","0.015","91.387","0.016","1709.3","1.2","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H48 S -","- C44 H48 S -","- C88 H96 S2 -","2","1","","Ni, Yang; Nakajima, Kiyohiko; Kanno, Ken-ichiro; Takahashi, Tamotsu","Zirconium-mediated coupling reaction for synthesis of substituted thiophene-fused acenes.","Organic letters","2009","11","16","3702","3705","10.1021/ol900903w","","","0.71075","MoKα","","0.2419","0.0879","","","0.1634","0.2259","","","","","","0.899","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503970","10.052","0.003","17.403","0.007","20.696","0.009","90","","99.771","0.012","90","","3568","2","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H50 S Si2 -","- C38 H50 S Si2 -","- C152 H200 S4 Si8 -","4","1","","Ni, Yang; Nakajima, Kiyohiko; Kanno, Ken-ichiro; Takahashi, Tamotsu","Zirconium-mediated coupling reaction for synthesis of substituted thiophene-fused acenes.","Organic letters","2009","11","16","3702","3705","10.1021/ol900903w","","","0.71075","MoKα","","0.2185","0.0829","","","0.1756","0.2393","","","","","","0.943","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503971","6.2715","0.0002","11.4983","0.0004","34.248","0.0011","90","","90.731","0.001","90","","2469.48","0.14","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C112 H120 N8 O24 -","8","2","","Chen, Guofei; Fu, Chunling; Ma, Shengming","A novel synthesis of 1,3-oxazine-2,4-diones via a simple and efficient reaction of CO2 with 2,3-allenamides.","Organic letters","2009","11","13","2900","2903","10.1021/ol9009046","","","0.71073","MoKα","","0.0389","0.0355","","","0.0876","0.0903","","","","","","1.047","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1503972","7.711","0.0005","10.5025","0.0007","20.8344","0.0014","90","","90","","90","","1687.27","0.19","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C80 H96 O16 -","4","1","","Majetich, George; Grove, Jeremy L.","Total synthesis of (+)-19-deoxyicetexone, (-)-icetexone, and (+)-5-epi-icetexone.","Organic letters","2009","11","13","2904","2907","10.1021/ol9009128","","","0.71073","MoKα","","0.0544","0.0482","","","0.1411","0.1481","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503973","7.747","0.003","10.338","0.004","20.948","0.009","90","","90","","90","","1677.7","1.2","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","","Majetich, George; Grove, Jeremy L.","Total synthesis of (+)-19-deoxyicetexone, (-)-icetexone, and (+)-5-epi-icetexone.","Organic letters","2009","11","13","2904","2907","10.1021/ol9009128","","","0.71073","MoKα","","0.1035","0.0462","","","0.1112","0.1437","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503974","12.306","0.004","12.827","0.004","10.576","0.003","90","","90","","90","","1669.4","0.9","273","2","273","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","","Majetich, George; Grove, Jeremy L.","Total synthesis of (+)-19-deoxyicetexone, (-)-icetexone, and (+)-5-epi-icetexone.","Organic letters","2009","11","13","2904","2907","10.1021/ol9009128","","","0.71073","MoKα","","0.0807","0.0472","","","0.1053","0.1223","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503975","14.0617","0.0002","17.0906","0.0002","19.3399","0.0003","90.8266","0.0005","104.694","0.0005","94.1097","0.0008","4481.69","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C73.8 H12.9 N2 O6.3 S2.4 -","- C73.8 H12 N2 O6.3 S2.4 -","- C295.2 H48 N8 O25.2 S9.6 -","4","2","","Zhang, Qianyan; Jia, Zhenshan; Liu, Shuming; Zhang, Gang; Xiao, Zuo; Yang, Dazhi; Gan, Liangbing; Wang, Zheming; Li, Yuliang","Efficient cage-opening cascade process for the preparation of water-encapsulated [60]fullerene derivatives.","Organic letters","2009","11","13","2772","2774","10.1021/ol9009305","","","0.71073","MoKα","","0.1349","0.0648","","","0.1726","0.2011","","","","","","0.99","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"1503976","14.059","0.0002","17.0748","0.0003","19.3384","0.0003","90.9325","0.0007","104.735","0.0007","94.0137","0.0007","4475.79","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C73.8 H13.64 N2 O6.67 S2.4 -","- C73.8 H12 N2 O6.67 S2.4 -","- C295.2 H48 N8 O26.68 S9.6 -","4","2","","Zhang, Qianyan; Jia, Zhenshan; Liu, Shuming; Zhang, Gang; Xiao, Zuo; Yang, Dazhi; Gan, Liangbing; Wang, Zheming; Li, Yuliang","Efficient cage-opening cascade process for the preparation of water-encapsulated [60]fullerene derivatives.","Organic letters","2009","11","13","2772","2774","10.1021/ol9009305","","","0.71073","MoKα","","0.1595","0.0616","","","0.153","0.1842","","","","","","0.946","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"1503977","8.0696","0.0002","11.8879","0.0002","22.2809","0.0004","90","","90","","90","","2137.42","0.07","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-[4-Phenyl-3-(toluene-4-sulfonyl)-3,4-dihydro-benzo[e][1,3] thiazin-2-ylidene]-acetic acid methyl ester","","- C24 H21 N O4 S2 -","- C24 H21 N O4 S2 -","- C96 H84 N4 O16 S8 -","4","1","","Spitz, Cédric; Lohier, Jean-François; Reboul, Vincent; Metzner, Patrick","Catalytic generation of cesium acetylide by CsF: synthesis of 1,3-benzothiazines from cyclic sulfenamides.","Organic letters","2009","11","13","2776","2779","10.1021/ol9009333","","","0.71073","MoKα","","0.0423","0.0347","","","0.0898","0.0981","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503978","7.9756","0.0013","12.987","0.002","11.917","0.002","90","","95.938","0.009","90","","1227.7","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(R)-[4-Iso-propyl-3-(toluene-4-sulfonyl)-2 -(toluene-4-sulfonylmethylene)-3,4-dihydro-2H-benzo [e][1,3]thiazine","","- C26 H27 N O4 S3 -","- C26 H27 N O4 S3 -","- C52 H54 N2 O8 S6 -","2","1","","Spitz, Cédric; Lohier, Jean-François; Reboul, Vincent; Metzner, Patrick","Catalytic generation of cesium acetylide by CsF: synthesis of 1,3-benzothiazines from cyclic sulfenamides.","Organic letters","2009","11","13","2776","2779","10.1021/ol9009333","","","0.71073","MoKα","","0.0367","0.034","","","0.096","0.0977","","","","","","1.174","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1503979","14.8521","0.0006","9.1835","0.0003","13.5407","0.0005","90","","112.831","0.001","90","","1702.18","0.11","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O6 -","- C19 H14 N2 O6 -","- C76 H56 N8 O24 -","4","1","","Rasberry, Roger D.; Wu, Xiangyang; Bullock, Brooke N.; Smith, Mark D.; Shimizu, Ken D.","A small molecule diacid with long-term chiral memory.","Organic letters","2009","11","12","2599","2602","10.1021/ol900955q","","","0.71073","MoKα","","0.0474","0.0381","","","0.0986","0.1028","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503980","11.5118","0.0008","8.8192","0.0006","17.5093","0.0014","90","","105.927","0.003","90","","1709.4","0.2","173.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H18 Cl N O6 -","- C17 H18 Cl N O6 -","- C68 H72 Cl4 N4 O24 -","4","1","","Yamazaki, Shoko; Morikawa, Satoshi; Miyazaki, Kazuya; Takebayashi, Masachika; Yamamoto, Yuko; Morimoto, Tsumoru; Kakiuchi, Kiyomi; Mikata, Yuji","Zinc-catalyzed reactions of ethenetricarboxylates with 2-(trimethylsilylethynyl)anilines leading to bridged quinoline derivatives.","Organic letters","2009","11","13","2796","2799","10.1021/ol900960q","","","0.7107","MoKα","","","0.044","","","","0.1197","","","","","","1.048","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503981","9.6009","0.0018","9.9357","0.0019","10.035","0.0019","95.531","0.002","96.755","0.003","110.311","0.002","881.8","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 O6 -","- C18 H16 N2 O6 -","- C36 H32 N4 O12 -","2","1","","Liang, Jixuan; Chen, Jingbo; Du, Fengxiang; Zeng, Xianghui; Li, Liang; Zhang, Hongbin","Oxidative carbon-carbon bond formation in the synthesis of bioactive spiro beta-lactams.","Organic letters","2009","11","13","2820","2823","10.1021/ol901005x","","","0.71073","MoKα","","0.1399","0.0593","","","0.1337","0.1736","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503982","6.93904","0.00015","8.06968","0.00017","10.42331","0.00018","90","","90","","90","","583.66","0.02","100","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 N2 O2 -","- C5 H10 N2 O2 -","- C20 H40 N8 O8 -","4","1","","Sharma, Rojita; Bulger, Paul G.; McNevin, Michael; Dormer, Peter G.; Ball, Richard G.; Streckfuss, Eric; Cuff, James F.; Yin, Jingjun; Chen, Cheng-yi","A cascade approach to cyclic aminonitrones: reaction discovery, mechanism, and scope.","Organic letters","2009","11","15","3194","3197","10.1021/ol9010147","","","1.5418","CuKα","","","0.026","","","0.07","0.07","","","","","","1.139","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503983","20.5261","0.0002","12.69158","0.00016","9.48439","0.00011","90","","90","","90","","2470.77","0.05","100","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C11 H20 N2 O2 -","- C11 H20 N2 O2 -","- C88 H160 N16 O16 -","8","1","","Sharma, Rojita; Bulger, Paul G.; McNevin, Michael; Dormer, Peter G.; Ball, Richard G.; Streckfuss, Eric; Cuff, James F.; Yin, Jingjun; Chen, Cheng-yi","A cascade approach to cyclic aminonitrones: reaction discovery, mechanism, and scope.","Organic letters","2009","11","15","3194","3197","10.1021/ol9010147","","","1.5418","CuKα","","","0.033","","","0.085","0.088","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503984","7.8324","0.0005","25.8462","0.0018","8.3639","0.0006","90","","107.473","0.001","90","","1615.04","0.19","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O5 -","- C19 H21 N O5 -","- C76 H84 N4 O20 -","4","1","","Tang, Yuchen; Fettinger, James C.; Shaw, Jared T.","One-step synthesis of complex nitrogen heterocycles from imines and alkyl-substituted maleic anhydrides.","Organic letters","2009","11","17","3802","3805","10.1021/ol901018k","","","0.71073","MoKα","","0.0864","0.0418","","","0.0932","0.1104","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503985","9.9933","0.001","8.1292","0.0008","19.993","0.0019","90","","103.468","0.002","90","","1579.5","0.3","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C76 H72 N8 O12 -","4","1","","Tang, Yuchen; Fettinger, James C.; Shaw, Jared T.","One-step synthesis of complex nitrogen heterocycles from imines and alkyl-substituted maleic anhydrides.","Organic letters","2009","11","17","3802","3805","10.1021/ol901018k","","","0.71073","MoKα","","0.0695","0.0402","","","0.0958","0.1038","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503986","11.9736","0.0005","13.2421","0.0006","11.3948","0.0005","90","","102.494","0.001","90","","1763.92","0.13","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O3 -","- C22 H21 N O3 -","- C88 H84 N4 O12 -","4","1","","Tang, Yuchen; Fettinger, James C.; Shaw, Jared T.","One-step synthesis of complex nitrogen heterocycles from imines and alkyl-substituted maleic anhydrides.","Organic letters","2009","11","17","3802","3805","10.1021/ol901018k","","","0.71073","MoKα","","0.0478","0.0358","","","0.0931","0.1001","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503987","12.049","0.005","15.856","0.006","8.11","0.003","90","","96.293","0.005","90","","1540.1","1","90","2","90","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H19 N O5 -","- C18 H19 N O5 -","- C72 H76 N4 O20 -","4","1","","Tang, Yuchen; Fettinger, James C.; Shaw, Jared T.","One-step synthesis of complex nitrogen heterocycles from imines and alkyl-substituted maleic anhydrides.","Organic letters","2009","11","17","3802","3805","10.1021/ol901018k","","","0.71073","MoKα","","0.0401","0.0376","","","0.1022","0.1044","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503988","24.45","0.005","8.5899","0.0017","6.914","0.0014","90","","95.112","0.003","90","","1446.3","0.5","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 O3 -","- C18 H16 N2 O3 -","- C72 H64 N8 O12 -","4","1","","Tang, Yuchen; Fettinger, James C.; Shaw, Jared T.","One-step synthesis of complex nitrogen heterocycles from imines and alkyl-substituted maleic anhydrides.","Organic letters","2009","11","17","3802","3805","10.1021/ol901018k","","","0.71073","MoKα","","0.0472","0.0419","","","0.1137","0.1178","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503989","12.7255","0.0006","9.7373","0.0005","26.8842","0.0013","90","","90","","90","","3331.3","0.3","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C144 H168 N8 O40 -","8","1","","Tang, Yuchen; Fettinger, James C.; Shaw, Jared T.","One-step synthesis of complex nitrogen heterocycles from imines and alkyl-substituted maleic anhydrides.","Organic letters","2009","11","17","3802","3805","10.1021/ol901018k","","","0.71073","MoKα","","0.0386","0.0356","","","0.0953","0.0988","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503990","7.4009","0.0004","9.1172","0.0004","26.7217","0.0013","90","","90","","90","","1803.06","0.15","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","1","","Tang, Yuchen; Fettinger, James C.; Shaw, Jared T.","One-step synthesis of complex nitrogen heterocycles from imines and alkyl-substituted maleic anhydrides.","Organic letters","2009","11","17","3802","3805","10.1021/ol901018k","","","0.71073","MoKα","","0.0348","0.0292","","","0.0745","0.0784","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503991","14.7842","0.0009","14.5452","0.0009","7.6305","0.0005","90","","102.909","0.001","90","","1599.39","0.17","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O5 -","- C19 H21 N O5 -","- C76 H84 N4 O20 -","4","1","","Tang, Yuchen; Fettinger, James C.; Shaw, Jared T.","One-step synthesis of complex nitrogen heterocycles from imines and alkyl-substituted maleic anhydrides.","Organic letters","2009","11","17","3802","3805","10.1021/ol901018k","","","0.71073","MoKα","","0.0564","0.036","","","0.0908","0.0986","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503992","21.5239","0.0014","10.7271","0.0007","26.8898","0.0018","90","","113.017","0.001","90","","5714.3","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H29 N O2 S -","- C36 H29 N O2 S -","- C288 H232 N8 O16 S8 -","8","1","","Wang, Shaoyin; Zhu, Yuanxun; Wang, Yanguang; Lu, Ping","Synthesis of functionalized indenes via cascade reaction of aziridines and propargyl alcohols.","Organic letters","2009","11","12","2615","2618","10.1021/ol901033h","","","0.71073","MoKα","","0.0678","0.0507","","","0.1272","0.1358","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503993","14.1643","0.0018","10.301","0.0013","20.838","0.003","90","","103.915","0.002","90","","2951.2","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H31 N O3 S -","- C36 H31 N O3 S -","- C144 H124 N4 O12 S4 -","4","1","","Wang, Shaoyin; Zhu, Yuanxun; Wang, Yanguang; Lu, Ping","Synthesis of functionalized indenes via cascade reaction of aziridines and propargyl alcohols.","Organic letters","2009","11","12","2615","2618","10.1021/ol901033h","","","0.71073","MoKα","","0.0967","0.0545","","","0.1179","0.133","","","","","","0.874","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503994","10.4922","0.0013","11.4291","0.0014","12.9158","0.0015","88.416","0.002","70.878","0.002","84.564","0.002","1456.8","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H29 N O2 S -","- C36 H29 N O2 S -","- C72 H58 N2 O4 S2 -","2","1","","Wang, Shaoyin; Zhu, Yuanxun; Wang, Yanguang; Lu, Ping","Synthesis of functionalized indenes via cascade reaction of aziridines and propargyl alcohols.","Organic letters","2009","11","12","2615","2618","10.1021/ol901033h","","","0.71073","MoKα","","0.0726","0.0574","","","0.1422","0.1512","","","","","","0.969","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503995","8.8382","0.0009","9.7835","0.001","12.0361","0.0012","77.648","0.002","76.495","0.002","79.917","0.002","979.93","0.17","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C29 H20 -","- C29 H20 -","- C58 H40 -","2","1","","Wang, Shaoyin; Zhu, Yuanxun; Wang, Yanguang; Lu, Ping","Synthesis of functionalized indenes via cascade reaction of aziridines and propargyl alcohols.","Organic letters","2009","11","12","2615","2618","10.1021/ol901033h","","","0.71073","MoKα","","0.0632","0.0544","","","0.1448","0.1529","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503996","13.9715","0.0006","12.9265","0.0006","16.0665","0.0009","90","","105.422","0.0016","90","","2797.2","0.2","296","1","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H27 N O2 S -","- C36 H27 N O2 S -","- C144 H108 N4 O8 S4 -","4","1","","Wang, Shaoyin; Zhu, Yuanxun; Wang, Yanguang; Lu, Ping","Synthesis of functionalized indenes via cascade reaction of aziridines and propargyl alcohols.","Organic letters","2009","11","12","2615","2618","10.1021/ol901033h","","","0.71075","MoKα","","","0.0382","","","","0.0925","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503997","11.528","0.002","16.331","0.003","16.484","0.003","90","","90","","90","","3103.3","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H35 Cl O11 -","- C33 H35 Cl O11 -","- C132 H140 Cl4 O44 -","4","1","","Liu, Ling; Li, Yan; Liu, Shuchun; Zheng, Zhihui; Chen, Xulin; Zhang, Hua; Guo, Liangdong; Che, Yongsheng","Chloropestolide A, an antitumor metabolite with an unprecedented spiroketal skeleton from Pestalotiopsis fici.","Organic letters","2009","11","13","2836","2839","10.1021/ol901039m","","","0.71073","MoKα","","0.0663","0.0556","","","0.108","0.1131","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503998","28.2866","0.0003","28.2866","0.0003","14.7993","0.0003","90","","90","","90","","11841.4","0.3","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C54 H74 Cl6 O4 Se4 -","- C54 H74 Cl6 O4 Se4 -","- C432 H592 Cl48 O32 Se32 -","8","0.5","","Thomas, Joice; Maes, Wouter; Robeyns, Koen; Ovaere, Margriet; Van Meervelt, Luc; Smet, Mario; Dehaen, Wim","Homoselenacalix[n]arenes.","Organic letters","2009","11","14","3040","3043","10.1021/ol901044m","","","1.54178","CuKα","","0.0451","0.0357","","","0.0931","0.1017","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503999","9.9877","0.0005","12.0647","0.0007","15.8791","0.0008","83.135","0.004","88.746","0.003","87.532","0.004","1897.66","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C78 H108 O6 Se6 -","- C78 H108 O6 Se6 -","- C78 H108 O6 Se6 -","1","0.5","","Thomas, Joice; Maes, Wouter; Robeyns, Koen; Ovaere, Margriet; Van Meervelt, Luc; Smet, Mario; Dehaen, Wim","Homoselenacalix[n]arenes.","Organic letters","2009","11","14","3040","3043","10.1021/ol901044m","","","1.54178","CuKα","","0.0654","0.0464","","","0.1074","0.1176","","","","","","1.067","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504000","9.948","0.0012","12.8818","0.0015","14.3014","0.0017","70.874","0.002","73.322","0.002","80.864","0.002","1654.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H26 Br2 N4 Ni -","- C42 H26 Br2 N4 Ni -","- C84 H52 Br4 N8 Ni2 -","2","1","","Li, Ke-Lai; Guo, Can-Cheng; Chen, Qing-Yun","Unprecedented degradation of nickel(II) 2,3,12,13-tetrabromo-5,10,15,20-tetraarylporphyrins by the anion of E-benzaldoxime: a novel approach to nickel(II) chlorophins and bacteriophins.","Organic letters","2009","11","13","2724","2727","10.1021/ol901052w","","","0.71073","MoKα","","0.0774","0.062","","","0.1513","0.1568","","","","","","0.957","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504001","15.775","0.0016","12.4675","0.0013","17.5806","0.0018","90","","93.757","0.002","90","","3450.2","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H32 Br N4 Ni O0.5 -","- C44 H31 Br N4 Ni O0.5 -","- C176 H124 Br4 N16 Ni4 O2 -","4","1","","Li, Ke-Lai; Guo, Can-Cheng; Chen, Qing-Yun","Unprecedented degradation of nickel(II) 2,3,12,13-tetrabromo-5,10,15,20-tetraarylporphyrins by the anion of E-benzaldoxime: a novel approach to nickel(II) chlorophins and bacteriophins.","Organic letters","2009","11","13","2724","2727","10.1021/ol901052w","","","0.71073","MoKα","","0.1244","0.0882","","","0.2311","0.2435","","","","","","1.059","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504002","27.77","0.016","35.78","0.02","8.445","0.005","90","","90","","90","","8391","8","293","2","293","2","","","","","","","","4","C c c a :2","-C 2a 2ac","68","","","","- C77 H97 N5 Ni -","- C77 H92 N5 Ni -","- C308 H368 N20 Ni4 -","4","0.25","","Li, Ke-Lai; Guo, Can-Cheng; Chen, Qing-Yun","Unprecedented degradation of nickel(II) 2,3,12,13-tetrabromo-5,10,15,20-tetraarylporphyrins by the anion of E-benzaldoxime: a novel approach to nickel(II) chlorophins and bacteriophins.","Organic letters","2009","11","13","2724","2727","10.1021/ol901052w","","","0.71073","MoKα","","0.1248","0.0997","","","0.2582","0.2796","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504003","9.5718","0.0014","12.1385","0.0018","14.436","0.002","90","","90","","90","","1677.3","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 Br O3 -","- C17 H19 Br O3 -","- C68 H76 Br4 O12 -","4","1","","Liu, Yan-kai; Ma, Chao; Jiang, Kun; Liu, Tian-Yu; Chen, Ying-Chun","Asymmetric tandem Michael addition-Wittig reaction to cyclohexenone annulation.","Organic letters","2009","11","13","2848","2851","10.1021/ol9010568","","","0.71073","MoKα","","0.0322","0.0269","","","0.0343","0.0352","","","","","","0.982","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504004","9.082","0.007","11.525","0.015","10.141","0.008","90","","104.82","0.07","90","","1026.1","1.8","298","2","298","2","101.3","","","","","","","4","P 1 21 1","P 2yb","4","endo-6a","","","- C22 H27 N O5 -","- C22 H27 N O5 -","- C44 H54 N2 O10 -","2","1","","Gallier, Florian; Hussain, Hidayat; Martel, Arnaud; Kirschning, Andreas; Dujardin, Gilles","Hetero-Diels-Alder reactions of cyclic ketone derived enamide. A new and efficient concept for the asymmetric Robinson annulation.","Organic letters","2009","11","14","3060","3063","10.1021/ol901065e","","","0.71069","MoKα","","0.216","0.0772","","","0.1588","0.2062","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504005","9.43737","0.0001","16.8839","0.0003","5.68402","0.0001","90","","90","","90","","905.69","0.02","95","2","95","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","T-FT","2-(thiophen-2-yl)thieno[3,2-b]furan","","- C10 H6 O S2 -","- C10 H6 O S2 -","- C40 H24 O4 S8 -","4","1","","Henssler, John T.; Matzger, Adam J.","Facile and scalable synthesis of the fused-ring heterocycles thieno[3,2-b]thiophene and thieno[3,2-b]furan.","Organic letters","2009","11","14","3144","3147","10.1021/ol9010745","","","1.54187","CuKα","","0.0496","0.0491","","","0.132","0.1325","","","","","","1.16","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504006","16.9796","0.0004","16.9796","0.0004","11.4331","0.0003","90","","90","","90","","3296.24","0.14","296","2","296","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C9 H9 N3 -","- C9 H9 N3 -","- C144 H144 N48 -","16","1","","Liang, Lei; Li, Zhengkai; Zhou, Xiangge","Pyridine N-oxides as ligands in Cu-catalyzed N-arylation of imidazoles in water.","Organic letters","2009","11","15","3294","3297","10.1021/ol9010773","","","0.71073","MoKα","","0.0956","0.0391","","","0.0649","0.0717","","","","","","0.992","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504007","7.518","0.003","27.568","0.008","12.404","0.004","90","","105.52","0.02","90","","2477.1","1.5","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H20 Cl2 N6 O4 -","- C28 H20 Cl2 N6 O4 -","- C112 H80 Cl8 N24 O16 -","4","1","","Sinan, Mominul; Panda, Manashi; Banerjee, Priyabrata; Shinisha, C. B.; Sunoj, Raghavan B.; Goswami, Sreebrata","Synthesis of azoaromatic dyes via redox driven C-N bond fusion.","Organic letters","2009","11","15","3218","3221","10.1021/ol9011184","","","0.71073","MoKα","","0.1195","0.0565","","","0.0911","0.1109","","","","","","0.963","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504008","13.5021","0.0009","15.7541","0.0008","18.9376","0.0011","70.524","0.002","88.842","0.003","77.787","0.003","3706.3","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","C-Hexyl-6,10:12,16:18,22:24,4-O,O'-tetrakis(quinoxaline- 2,3-diyl)calix[4]resorcinarene phenyl azide adduct","","- C90 H85 N11 O8 -","- C90 H85 N11 O8 -","- C180 H170 N22 O16 -","2","1","","Wagner, Gerald; Arion, Vladimir B.; Brecker, Lothar; Krantz, Carsten; Mieusset, Jean-Luc; Brinker, Udo H.","Controllable selective functionalization of a cavitand via solid state photolysis of an encapsulated phenyl azide.","Organic letters","2009","11","14","3056","3058","10.1021/ol901122h","","","0.71073","MoKα","","0.0806","0.0448","","","0.0898","0.1046","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504009","12.9287","0.0003","10.867","0.0003","8.3246","0.0002","90","","104.587","0.002","90","","1131.87","0.05","100","","100","","","","","","","","Synthesized by the authors. See text","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H20 O4 -","- C10 H20 O4 -","- C40 H80 O16 -","4","1","","Duplessis, Martin; Waltz, Marie-Eve; Bencheqroun, Mohammed; Cardinal-David, Benoit; Guindon, Yvan","Stereoselective quaternary center construction via atom-transfer radical cyclization using silicon tethers on acyclic precursors.","Organic letters","2009","11","14","3148","3151","10.1021/ol901126y","","","1.54178","CuKα","","0.0989","0.0708","","","0.1642","0.1733","","","","","","1.15","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504010","6.1407","0.0003","7.3149","0.0004","21.3626","0.001","87.205","0.003","86.658","0.003","72.179","0.003","911.5","0.08","100","","100","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C18 H23 N O6 -","- C18 H23 N O6 -","- C36 H46 N2 O12 -","2","1","","Duplessis, Martin; Waltz, Marie-Eve; Bencheqroun, Mohammed; Cardinal-David, Benoit; Guindon, Yvan","Stereoselective quaternary center construction via atom-transfer radical cyclization using silicon tethers on acyclic precursors.","Organic letters","2009","11","14","3148","3151","10.1021/ol901126y","","","1.54178","CuKα","","0.106","0.0827","","","0.2024","0.2263","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504011","6.2529","0.0003","8.6287","0.0003","18.3445","0.0007","90","","90","","90","","989.77","0.07","200","2","200","2","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 O4 -","- C9 H16 O4 -","- C36 H64 O16 -","4","1","","Duplessis, Martin; Waltz, Marie-Eve; Bencheqroun, Mohammed; Cardinal-David, Benoit; Guindon, Yvan","Stereoselective quaternary center construction via atom-transfer radical cyclization using silicon tethers on acyclic precursors.","Organic letters","2009","11","14","3148","3151","10.1021/ol901126y","","","1.54178","CuKα","","0.06","0.0365","","","0.0645","0.0697","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504012","9.6873","0.0006","17.8299","0.0011","18.963","0.0011","90","","90","","90","","3275.4","0.3","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N S2 -","- C20 H17 N S2 -","- C160 H136 N8 S16 -","8","1","","Balaji, Ganapathy; Valiyaveettil, Suresh","Synthesis and properties of symmetric and unsymmetric dibenzothienopyrroles.","Organic letters","2009","11","15","3358","3361","10.1021/ol901133m","","","0.71073","MoKα","","0.0754","0.062","","","0.1508","0.1592","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504013","8.3728","0.0005","11.6125","0.0007","12.365","0.0007","102.462","0.001","100.036","0.001","102.883","0.001","1112.69","0.11","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H25 N S2 -","- C28 H25 N S2 -","- C56 H50 N2 S4 -","2","1","","Balaji, Ganapathy; Valiyaveettil, Suresh","Synthesis and properties of symmetric and unsymmetric dibenzothienopyrroles.","Organic letters","2009","11","15","3358","3361","10.1021/ol901133m","","","0.71073","MoKα","","0.0453","0.0404","","","0.1132","0.1185","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504014","10.4421","0.0006","11.0184","0.0006","11.3293","0.0006","81.712","0.001","68.121","0.001","66.569","0.001","1109.85","0.11","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H25 N S2 -","- C28 H25 N S2 -","- C56 H50 N2 S4 -","2","1","","Balaji, Ganapathy; Valiyaveettil, Suresh","Synthesis and properties of symmetric and unsymmetric dibenzothienopyrroles.","Organic letters","2009","11","15","3358","3361","10.1021/ol901133m","","","0.71073","MoKα","","0.0415","0.0386","","","0.1012","0.1038","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504015","9.951","0.002","10.141","0.002","22.1","0.005","90","","90","","90","","2230.2","0.8","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 Br N2 O4 S -","- C23 H21 Br N2 O4 S -","- C92 H84 Br4 N8 O16 S4 -","4","1","","Wang, Xiao; Chen, Yong-Fei; Niu, Liang-Feng; Xu, Peng-Fei","Diastereo- and enantioselective Aza-MBH-type reaction of nitroalkenes to N-tosylimines catalyzed by bifunctional organocatalysts.","Organic letters","2009","11","15","3310","3313","10.1021/ol9011458","","","0.71073","MoKα","","0.0749","0.0363","","","0.0604","0.0686","","","","","","0.986","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504016","9.372","0.004","10.346","0.003","13.724","0.005","68.111","0.018","84.53","0.02","76.94","0.02","1202.8","0.8","123","2","123","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 O3 -","- C32 H28 O3 -","- C64 H56 O6 -","2","1","","Zhang, Hongyu; Karasawa, Takashi; Yamada, Hiroshi; Wakamiya, Atsushi; Yamaguchi, Shigehiro","Intramolecular reductive double cyclization of o,o'-bis(arylcarbonyl)diphenylacetylenes: synthesis of ladder pi-conjugated skeletons.","Organic letters","2009","11","14","3076","3079","10.1021/ol901148p","","","0.7107","MoKα","","0.1046","0.0581","","","0.1263","0.1526","","","","","","1.083","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504017","8.94","0.002","10.89","0.003","10.079","0.003","90","0.001","95.4352","0.001","90","0.001","976.8","0.5","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H20 O2 -","- C28 H20 O2 -","- C56 H40 O4 -","2","1","","Zhang, Hongyu; Karasawa, Takashi; Yamada, Hiroshi; Wakamiya, Atsushi; Yamaguchi, Shigehiro","Intramolecular reductive double cyclization of o,o'-bis(arylcarbonyl)diphenylacetylenes: synthesis of ladder pi-conjugated skeletons.","Organic letters","2009","11","14","3076","3079","10.1021/ol901148p","","","0.7107","MoKα","","0.0407","0.0359","","","0.0779","0.0804","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504018","17.962","0.004","9.9317","0.0018","20.157","0.004","90","","112.669","0.003","90","","3318.1","1.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H31 Cl3 O2 -","- C43 H31 Cl3 O2 -","- C172 H124 Cl12 O8 -","4","1","","Zhang, Hongyu; Karasawa, Takashi; Yamada, Hiroshi; Wakamiya, Atsushi; Yamaguchi, Shigehiro","Intramolecular reductive double cyclization of o,o'-bis(arylcarbonyl)diphenylacetylenes: synthesis of ladder pi-conjugated skeletons.","Organic letters","2009","11","14","3076","3079","10.1021/ol901148p","","","0.7107","MoKα","","0.0778","0.0613","","","0.1228","0.1317","","","","","","1.145","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504019","8.5797","0.0017","33.294","0.007","15.726","0.003","90","","103.6","0.03","90","","4366.2","1.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H44 Cl2 N2 O5 -","- C49 H44 Cl2 N2 O5 -","- C196 H176 Cl8 N8 O20 -","4","1","","Zhen, Yonggang; Qian, Hualei; Xiang, Junfeng; Qu, Jianqiang; Wang, Zhaohui","Highly regiospecific synthetic approach to monobay-functionalized perylene bisimide and di(perylene bisimide).","Organic letters","2009","11","14","3084","3087","10.1021/ol901168k","","","0.71073","MoKα","","0.0929","0.0794","","","0.1588","0.1661","","","","","","1.211","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504020","9.769","0.002","14.36","0.003","14.469","0.003","71.8","0.005","88.188","0.004","70.926","0.004","1816.7","0.7","143","2","143","2","","","","","","","","3","P -1","-P 1","2","","(3SR,3aRS,4SR,9aRS)-4-Benzyl-3-isopropyl-1,2,3,4,9,9a-hexahydro- 3aH-cyclopenta[b]naphthalen-3a-ol","","- C23 H28 O -","- C23 H28 O -","- C92 H112 O4 -","4","2","","Saadi, Jakub; Lentz, Dieter; Reissig, Hans-Ulrich","Medium-sized carbocycles by samarium diiodide-induced carbonyl-alkene cyclizations.","Organic letters","2009","11","15","3334","3337","10.1021/ol901183h","","","0.71073","MoKα","","0.0602","0.0476","","","0.1248","0.1346","","","","","","1.047","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504021","8.4941","0.0015","15.472","0.003","15.68","0.003","90","","104.415","0.004","90","","1995.8","0.6","133","2","133","2","","","","","","","","3","C 1 c 1","C -2yc","9","","Methyl (RaSa,10SR,13SR)-13-Hydroxy-13-isopropyl-10,11,12,13,14,15- hexahydro-9H-dibenzo[a,c][11]annulene-10-carboxylate","","- C24 H30 O3 -","- C24 H30 O3 -","- C96 H120 O12 -","4","1","","Saadi, Jakub; Lentz, Dieter; Reissig, Hans-Ulrich","Medium-sized carbocycles by samarium diiodide-induced carbonyl-alkene cyclizations.","Organic letters","2009","11","15","3334","3337","10.1021/ol901183h","","","0.71073","MoKα","","0.0323","0.0315","","","0.0838","0.0846","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504022","9.4516","0.0002","11.37","0.0002","24.6642","0.0005","86.345","0.001","84.729","0.001","81.128","0.001","2604.43","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H59 N3 O3 S6 -","- C57 H59 N3 O3 S6 -","- C114 H118 N6 O6 S12 -","2","1","","Jaggi, Michael; Blum, Carmen; Dupont, Nathalie; Grilj, Jakob; Liu, Shi-Xia; Hauser, Jürg; Hauser, Andreas; Decurtins, Silvio","A compactly fused pi-conjugated tetrathiafulvalene-perylenediimide donor-acceptor dyad.","Organic letters","2009","11","14","3096","3099","10.1021/ol901186n","","","0.71073","MoKα","","0.1222","0.0721","","","0.1821","0.2137","","","","","","1.027","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504023","10.8791","0.0002","9.4754","0.0002","18.4279","0.0004","90","","99.751","0.002","90","","1872.17","0.07","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","(S)-tiemonium iodide","","","- C18 H24 I N O2 S -","- C18 H24 I N O2 S -","- C72 H96 I4 N4 O8 S4 -","4","2","","Biradar, Deepak B.; Zhou, Shuangliu; Gau, Han-Mou","Direct asymmetric catalytic thienylaluminum addition to ketones: a concise approach to the synthesis of (S)-tiemonium iodide.","Organic letters","2009","11","15","3386","3389","10.1021/ol901193q","","","0.71073","MoKα","","0.027","0.0232","","","0.0469","0.0474","","","","","","0.929","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504024","8.7372","0.0015","9.6953","0.0016","16.196","0.003","73.121","0.008","82.282","0.011","64.087","0.007","1180.8","0.4","143","2","143","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 N6 O P -","- C29 H23 N6 O P -","- C58 H46 N12 O2 P2 -","2","1","","Matano, Yoshihiro; Nakashima, Makoto; Saito, Arihiro; Imahori, Hiroshi","Phosphole-triazole hybrids: a facile synthesis and complexation with Pd(II) and Pt(II) salts.","Organic letters","2009","11","15","3338","3341","10.1021/ol901194m","","","0.7107","MoKα","","0.059","0.0412","","","0.0799","0.0865","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504025","8.1743","0.0011","13.1609","0.0019","17.591","0.003","80.241","0.004","76.545","0.004","84.462","0.005","1810.7","0.5","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H26 Cl10 N3 P Pd -","- C31 H26 Cl10 N3 P Pd -","- C62 H52 Cl20 N6 P2 Pd2 -","2","1","","Matano, Yoshihiro; Nakashima, Makoto; Saito, Arihiro; Imahori, Hiroshi","Phosphole-triazole hybrids: a facile synthesis and complexation with Pd(II) and Pt(II) salts.","Organic letters","2009","11","15","3338","3341","10.1021/ol901194m","","","0.7107","MoKα","","0.0455","0.0389","","","0.082","0.085","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504026","11.4263","0.0002","18.5145","0.0003","26.0098","0.0004","90","","93.217","0.001","90","","5493.76","0.16","118","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 N3 O3 -","- C19.0033 H25 N3 O3 -","- C228.04 H300 N36 O36 -","12","3","","Shaabani, Ahmad; Rezayan, Ali Hossein; Keshipour, Sajjad; Sarvary, Afshin; Ng, Seik Weng","A novel one-pot three-(in situ five-)component condensation reaction: an unexpected approach for the synthesis of tetrahydro-2,4-dioxo-1H-benzo[b][1,5]diazepine-3-yl-2-methylpropanamide derivatives.","Organic letters","2009","11","15","3342","3345","10.1021/ol901196z","","","0.71073","MoKα","","0.0853","0.0464","","","0.1043","0.1236","","","","","","1.006","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504027","7.8567","0.0004","11.2624","0.0006","14.7834","0.0009","90","","90","","90","","1308.11","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","","Castaldi, M. Paola; Troast, Dawn M.; Porco, Jr, John A","Stereoselective synthesis of spirocyclic oxindoles via Prins cyclizations.","Organic letters","2009","11","15","3362","3365","10.1021/ol901201k","","","0.71073","MoKα","","0.0498","0.0427","","","0.1079","0.1115","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504028","8.361","0.0004","8.6154","0.0003","12.8252","0.0005","90","","97.499","0.002","90","","915.94","0.07","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C44 H46 N2 O6 -","2","1","","Castaldi, M. Paola; Troast, Dawn M.; Porco, Jr, John A","Stereoselective synthesis of spirocyclic oxindoles via Prins cyclizations.","Organic letters","2009","11","15","3362","3365","10.1021/ol901201k","","","0.71073","MoKα","","0.0409","0.0367","","","0.0929","0.0957","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504029","10.6456","0.0005","8.2771","0.0003","13.6743","0.0006","90","","96.302","0.002","90","","1197.63","0.09","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H25 Br F N O3 -","- C29 H25 Br F N O3 -","- C58 H50 Br2 F2 N2 O6 -","2","1","","Castaldi, M. Paola; Troast, Dawn M.; Porco, Jr, John A","Stereoselective synthesis of spirocyclic oxindoles via Prins cyclizations.","Organic letters","2009","11","15","3362","3365","10.1021/ol901201k","","","0.71073","MoKα","","0.0448","0.0316","","","0.0529","0.0566","","","","","","0.96","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504030","7.6811","0.0004","8.0373","0.0004","20.7516","0.0012","90","","90","","90","","1281.11","0.12","203","2","203","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","","Zhang, Yun; Panek, James S.","Stereocontrolled synthesis of spirooxindoles through Lewis acid-promoted [5 + 2]-annulation of chiral silyl alcohols.","Organic letters","2009","11","15","3366","3369","10.1021/ol901202t","","","0.71073","MoKα","","0.0416","0.0365","","","0.0928","0.0964","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504031","8.5555","0.0006","7.8352","0.0008","9.566","0.0008","90","","100.67","0.005","90","","630.16","0.09","203","2","203","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C30 H34 N2 O4 -","2","1","","Zhang, Yun; Panek, James S.","Stereocontrolled synthesis of spirooxindoles through Lewis acid-promoted [5 + 2]-annulation of chiral silyl alcohols.","Organic letters","2009","11","15","3366","3369","10.1021/ol901202t","","","0.71073","MoKα","","0.0492","0.0423","","","0.1031","0.1073","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504032","9.0322","0.0004","10.4795","0.0007","29.1191","0.0015","90","","90","","90","","2756.2","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 Br N O2 -","- C15 H16 Br N O2 -","- C120 H128 Br8 N8 O16 -","8","2","","Zhang, Yun; Panek, James S.","Stereocontrolled synthesis of spirooxindoles through Lewis acid-promoted [5 + 2]-annulation of chiral silyl alcohols.","Organic letters","2009","11","15","3366","3369","10.1021/ol901202t","","","0.71073","MoKα","","0.0738","0.0404","","","0.0707","0.0797","","","","","","0.973","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504033","6.7633","0.0002","10.5401","0.0004","24.4877","0.0009","90","","90","","90","","1745.63","0.11","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N O2 -","- C22 H23 N O2 -","- C88 H92 N4 O8 -","4","1","","Zhang, Yun; Panek, James S.","Stereocontrolled synthesis of spirooxindoles through Lewis acid-promoted [5 + 2]-annulation of chiral silyl alcohols.","Organic letters","2009","11","15","3366","3369","10.1021/ol901202t","","","0.71073","MoKα","","0.0477","0.0396","","","0.0944","0.0982","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504034","7.0217","0.0002","11.5023","0.0004","12.3086","0.0004","113.451","0.001","94.599","0.001","97.882","0.001","893.4","0.05","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H52 O12 -","- C18 H26 O6 -","- C36 H52 O12 -","2","1","","Li, Shijun; Liu, Ming; Zheng, Bo; Zhu, Kelong; Wang, Feng; Li, Ning; Zhao, Xiao-Li; Huang, Feihe","Taco complex templated syntheses of a cryptand/paraquat [2]rotaxane and a [2]catenane by olefin metathesis.","Organic letters","2009","11","15","3350","3353","10.1021/ol9012052","","","0.71073","MoKα","","0.036","0.0338","","","0.0908","0.0932","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504035","13.3566","0.0007","13.8761","0.0007","26.4176","0.0013","77.624","0.002","84.73","0.002","78.959","0.002","4687.3","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H79 F24 N4 O12 P4 -","- C70 H79 F24 N4 O12 P4 -","- C140 H158 F48 N8 O24 P8 -","2","1","","Li, Shijun; Liu, Ming; Zheng, Bo; Zhu, Kelong; Wang, Feng; Li, Ning; Zhao, Xiao-Li; Huang, Feihe","Taco complex templated syntheses of a cryptand/paraquat [2]rotaxane and a [2]catenane by olefin metathesis.","Organic letters","2009","11","15","3350","3353","10.1021/ol9012052","","","0.71073","MoKα","","0.1395","0.103","","","0.2814","0.3084","","","","","","0.978","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504036","9.9987","0.0005","10.4124","0.0004","11.1163","0.0005","102.951","0.002","104.668","0.002","104.178","0.002","1033.75","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Compound 4a","","","- C24 H22 N2 O6 -","- C24 H22 N2 O6 -","- C48 H44 N4 O12 -","2","1","","Bakthadoss, Manickam; Sivakumar, Govindan; Kannan, Damodharan","Solid-state melt reaction for the domino process: highly efficient synthesis of fused tetracyclic chromenopyran pyrimidinediones using Baylis-Hillman derivatives.","Organic letters","2009","11","19","4466","4469","10.1021/ol901228j","","","0.71073","MoKα","","0.0676","0.048","","","0.1366","0.1539","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504037","11.8479","0.0008","11.238","0.0006","14.6655","0.001","90","","98.437","0.002","90","","1931.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Compound 13a","","","- C23 H19 N3 O4 -","- C23 H19 N3 O4 -","- C92 H76 N12 O16 -","4","1","","Bakthadoss, Manickam; Sivakumar, Govindan; Kannan, Damodharan","Solid-state melt reaction for the domino process: highly efficient synthesis of fused tetracyclic chromenopyran pyrimidinediones using Baylis-Hillman derivatives.","Organic letters","2009","11","19","4466","4469","10.1021/ol901228j","","","0.71073","MoKα","","0.0735","0.048","","","0.1251","0.1455","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504038","7.352","0.0015","7.365","0.0015","16.241","0.003","91.31","0.03","91.52","0.03","99.58","0.03","866.5","0.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","","1-chloro-4-[(E)-2-iodoethenyl]benzene","","- C8 H6 Cl I -","- C8 H6 Cl I -","- C32 H24 Cl4 I4 -","4","4","","Pawluć, Piotr; Hreczycho, Grzegorz; Szudkowska, Justyna; Kubicki, Maciej; Marciniec, Bogdan","New one-pot synthesis of (E)-beta-aryl vinyl halides from styrenes.","Organic letters","2009","11","15","3390","3393","10.1021/ol901233j","","","0.71073","MoKα","","0.0548","0.0382","","","0.1143","0.1346","","","","","","1.086","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504039","7.2421","0.0002","20.322","0.0007","5.8538","0.0002","90","","90","","90","","861.53","0.05","100","1","100","1","","","","","","","","4","P c c 2","P 2 -2c","27","","1-bromo-4-[(E)-2-iodoethenyl]benzene","","- C8 H6 Br I -","- C8 H6 Br I -","- C32 H24 Br4 I4 -","4","1","","Pawluć, Piotr; Hreczycho, Grzegorz; Szudkowska, Justyna; Kubicki, Maciej; Marciniec, Bogdan","New one-pot synthesis of (E)-beta-aryl vinyl halides from styrenes.","Organic letters","2009","11","15","3390","3393","10.1021/ol901233j","","","0.71073","MoKα","","0.0335","0.0306","","","0.0861","0.0903","","","","","","1.106","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504040","26.395","0.002","12.0508","0.0014","7.482","0.0009","90","","90","","90","","2379.9","0.4","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","4-[(E)-iodoethenyl]biphenyl","","- C14 H11 I -","- C14 H11 I -","- C112 H88 I8 -","8","2","","Pawluć, Piotr; Hreczycho, Grzegorz; Szudkowska, Justyna; Kubicki, Maciej; Marciniec, Bogdan","New one-pot synthesis of (E)-beta-aryl vinyl halides from styrenes.","Organic letters","2009","11","15","3390","3393","10.1021/ol901233j","","","0.71073","MoKα","","0.0801","0.0423","","","0.0851","0.089","","","","","","1.116","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504041","9.7307","0.0006","10.9784","0.0006","33.3226","0.0017","90","","90","","90","","3559.8","0.3","273","2","273","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H40 Fe N2 O P2 -","- C41 H38 Fe N2 O P2 -","- C164 H152 Fe4 N8 O4 P8 -","4","1","","Wang, Dao-Yong; Hu, Xiang-Ping; Hou, Chuan-Jin; Deng, Jun; Yu, Sai-Bo; Duan, Zheng-Chao; Huang, Jia-Di; Zheng, Zhuo","Enantioselective Rh-catalyzed hydrogenation of 3-aryl-2-phosphonomethylpropenoates by a new class of chiral ferrocenyl diphosphine ligands.","Organic letters","2009","11","15","3226","3229","10.1021/ol9012469","","","0.71073","MoKα","","0.0496","0.0372","","","0.0788","0.084","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504042","10.543","0.01","11.806","0.012","16.085","0.015","90","","95.6","0.03","90","","1993","3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 N -","- C26 H25 N -","- C104 H100 N4 -","4","1","","Gou, Fa-Rong; Huo, Peng-Fei; Bi, Hai-Peng; Guan, Zheng-Hui; Liang, Yong-Min","One-pot synthesis of highly substituted aromatic amine derivatives via Pd-catalyzed aminobenzannulation reaction.","Organic letters","2009","11","15","3418","3421","10.1021/ol901265b","","","0.71073","MoKα","","0.1953","0.0905","","","0.2369","0.2878","","","","","","1.183","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504043","12.1557","0.0015","12.1854","0.0015","10.5038","0.0013","90","","106.703","0.002","90","","1490.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","09026a","","","- C15 H14 N2 O5 S -","- C15 H14 N2 O5 S -","- C60 H56 N8 O20 S4 -","4","1","","Lohse, Andrew G.; Hsung, Richard P.","Thermal intramolecular [4 + 2] cycloadditions of allenamides: a stereoselective tandem propargyl amide isomerization-cycloaddition.","Organic letters","2009","11","15","3430","3433","10.1021/ol901283m","","","0.71073","MoKα","","0.0534","0.0406","","","0.1046","0.1161","","","","","","1.043","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504044","6.3632","0.0016","11.501","0.003","16.661","0.004","90","","90","","90","","1219.3","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(3S,4S,5S)-3-(4-Nitro)benzoyloxy-4,5-epoxycyclohex-1-ene","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Tan, Qitao; Hayashi, Masahiko","Asymmetric desymmetrization of 4,5-epoxycyclohex-1-ene by enantioselective allylic oxidation.","Organic letters","2009","11","15","3314","3317","10.1021/ol901284v","","","0.71073","MoKα","","0.1012","0.0397","","","0.0737","0.0917","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504045","6.2698","0.0013","7.4785","0.0015","17.432","0.004","90","","95.01","0.03","90","","814.2","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H14 Cl F3 O2 -","- C18 H14 Cl F3 O2 -","- C36 H28 Cl2 F6 O4 -","2","1","","Wang, Xiao-Na; Shao, Pan-Lin; Lv, Hui; Ye, Song","Enantioselective synthesis of beta-trifluoromethyl-beta-lactones via NHC-catalyzed ketene-ketone cycloaddition reactions.","Organic letters","2009","11","18","4029","4031","10.1021/ol901290z","","","0.71073","MoKα","","0.041","0.0376","","","0.0845","0.0868","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504046","6.119","0.004","13.231","0.01","20.15","0.015","90","","91.94","0.013","90","","1630","2","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H25 N O2 S -","- C16 H25 N O2 S -","- C64 H100 N4 O8 S4 -","4","2","","Wang, Bing; Wang, Yong-Jun","SmI2-promoted intramolecular asymmetric pinacol-type ketone-tert-butanesulfinyl imine reductive coupling: stereoselectivity and mechanism.","Organic letters","2009","11","15","3410","3413","10.1021/ol901296u","","","0.71073","MoKα","","0.1113","0.0779","","","0.195","0.2193","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504047","6.252","0.003","14.188","0.007","18.445","0.009","90","","90","","90","","1636.1","1.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H29 N O3 S -","- C13 H29 N O3 S -","- C52 H116 N4 O12 S4 -","4","1","","Wang, Bing; Wang, Yong-Jun","SmI2-promoted intramolecular asymmetric pinacol-type ketone-tert-butanesulfinyl imine reductive coupling: stereoselectivity and mechanism.","Organic letters","2009","11","15","3410","3413","10.1021/ol901296u","","","0.71073","MoKα","","0.0485","0.0387","","","0.0924","0.0974","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504048","6.51","0.004","14.258","0.009","18.556","0.012","90","","90","","90","","1722.4","1.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H31 N O3 S -","- C14 H31 N O3 S -","- C56 H124 N4 O12 S4 -","4","1","","Wang, Bing; Wang, Yong-Jun","SmI2-promoted intramolecular asymmetric pinacol-type ketone-tert-butanesulfinyl imine reductive coupling: stereoselectivity and mechanism.","Organic letters","2009","11","15","3410","3413","10.1021/ol901296u","","","0.71073","MoKα","","0.0664","0.0508","","","0.1135","0.1211","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504049","24.171","0.001","9.0645","0.0004","19.641","0.001","90","","123.943","0.001","90","","3570","0.3","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 N6 O5 -","- C42 H42 N6 O5 -","- C168 H168 N24 O20 -","4","0.5","","Li, Guo-You; Yang, Tao; Luo, Ying-Gang; Chen, Xiao-Zhen; Fang, Dong-Mei; Zhang, Guo-Lin","Brevianamide J, a new indole alkaloid dimer from fungus Aspergillus versicolor.","Organic letters","2009","11","16","3714","3717","10.1021/ol901304y","","","0.71073","MoKα","","0.0893","0.0545","","","0.1489","0.1906","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504050","7.912","0.002","7.392","0.001","14.05","0.003","90","","104.92","0.02","90","","794","0.3","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H15 N3 O3 -","- C18 H15 N3 O3 -","- C36 H30 N6 O6 -","2","1","","Li, Guo-You; Yang, Tao; Luo, Ying-Gang; Chen, Xiao-Zhen; Fang, Dong-Mei; Zhang, Guo-Lin","Brevianamide J, a new indole alkaloid dimer from fungus Aspergillus versicolor.","Organic letters","2009","11","16","3714","3717","10.1021/ol901304y","","","0.71073","MoKα","","0.0484","0.0365","","","0.0889","0.0925","","","","","","1.003","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504051","6.5715","0.0006","18.7963","0.0018","13.799","0.0013","90","","94.439","0.002","90","","1699.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H28 Cl N2 Rh -","- C17 H28 Cl N2 Rh -","- C68 H112 Cl4 N8 Rh4 -","4","1","","Snead, David R.; Ghiviriga, Ion; Abboud, Khalil A.; Hong, Sukwon","A new route to acyclic diaminocarbenes via lithium-halogen exchange.","Organic letters","2009","11","15","3274","3277","10.1021/ol9013156","","","0.71073","MoKα","","0.0351","0.0313","","","0.0799","0.082","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504052","9.8235","0.0009","14.9332","0.0014","23.221","0.002","90","","91.616","0.002","90","","3405.1","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H28 Cl Ir N2 -","- C17 H28 Cl Ir N2 -","- C136 H224 Cl8 Ir8 N16 -","8","2","","Snead, David R.; Ghiviriga, Ion; Abboud, Khalil A.; Hong, Sukwon","A new route to acyclic diaminocarbenes via lithium-halogen exchange.","Organic letters","2009","11","15","3274","3277","10.1021/ol9013156","","","0.71073","MoKα","","0.037","0.0323","","","0.0747","0.0766","","","","","","1.224","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504053","7.277","0.0015","12.449","0.003","15.738","0.003","90","","90","","90","","1425.7","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H22 Cl Ir N2 -","- C13 H22 Cl Ir N2 -","- C52 H88 Cl4 Ir4 N8 -","4","1","","Snead, David R.; Ghiviriga, Ion; Abboud, Khalil A.; Hong, Sukwon","A new route to acyclic diaminocarbenes via lithium-halogen exchange.","Organic letters","2009","11","15","3274","3277","10.1021/ol9013156","","","0.71073","MoKα","","0.032","0.0296","","","0.0652","0.0659","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504054","6.195","0.0007","7.802","0.0008","35.452","0.004","90","","90","","90","","1713.5","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 Br N O -","- C22 H16 Br N O -","- C88 H64 Br4 N4 O4 -","4","1","","Li, Yi; Shi, Fu-Qiang; He, Qing-Li; You, Shu-Li","N-heterocyclic carbene-catalyzed cross-coupling of aldehydes with arylsulfonyl indoles.","Organic letters","2009","11","15","3182","3185","10.1021/ol9013238","","","0.71073","MoKα","","0.0572","0.038","","","0.0671","0.0703","","","","","","0.839","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504055","6.6599","0.0002","9.8956","0.0003","9.9738","0.0003","108.604","0.001","96.856","0.002","97.248","0.002","609.01","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H17 N O3 -","- C11 H17 N O3 -","- C22 H34 N2 O6 -","2","1","","Meyers, Marvin J.; Muizebelt, Inouk; van Wiltenburg, Jim; Brown, David L.; Thorarensen, Atli","Synthesis of tert-butyl 6-oxo-2-azaspiro[3.3]heptane-2-carboxylate.","Organic letters","2009","11","16","3523","3525","10.1021/ol901325s","","","1.54178","CuKα","","0.0629","0.0605","","","0.1499","0.1544","","","","","","1.051","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504056","15.0858","0.0004","17.9286","0.0005","17.9396","0.0005","90","","94.962","0.002","90","","4833.9","0.2","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C66 H66 -","- C66 H66 -","- C264 H264 -","4","1","","Zhai, Linyi; Shukla, Ruchi; Rathore, Rajendra","Oxidative C-C bond formation (Scholl reaction) with DDQ as an efficient and easily recyclable oxidant.","Organic letters","2009","11","15","3474","3477","10.1021/ol901331p","","","1.54178","CuKα","","0.0594","0.0445","","","0.1157","0.1253","","","","","","1.003","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504057","6.854","0.002","7.879","0.002","32.765","0.01","90","","90","","90","","1769.4","0.9","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Xu, Silong; Zhou, Lili; Zeng, San; Ma, Renqin; Wang, Zhihong; He, Zhengjie","Phosphine-mediated olefination between aldehydes and allenes: an efficient synthesis of trisubstituted 1,3-dienes with high E-selectivity.","Organic letters","2009","11","15","3498","3501","10.1021/ol901334c","","","0.71073","MoKα","","0.1189","0.0474","","","0.1033","0.1288","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504058","8.2434","0.0016","9.3954","0.0019","10.116","0.002","82.63","0.03","84.66","0.03","80.19","0.03","763.6","0.3","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C32 H34 N2 O12 -","2","1","","Xu, Silong; Zhou, Lili; Zeng, San; Ma, Renqin; Wang, Zhihong; He, Zhengjie","Phosphine-mediated olefination between aldehydes and allenes: an efficient synthesis of trisubstituted 1,3-dienes with high E-selectivity.","Organic letters","2009","11","15","3498","3501","10.1021/ol901334c","","","0.71073","MoKα","","0.0424","0.0327","","","0.0915","0.0962","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504059","6.986","0.002","24.324","0.005","18.651","0.003","90","","90.932","0.005","90","","3168.9","1.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 O7 -","- C16 H22 O7 -","- C128 H176 O56 -","8","2","","Aquino, Maurizio; Safir, Imad; Elkhayat, Zobida; Gandara, Zoila; Perez, Manuel; Retailleau, Pascal; Arseniyadis, Siméon","Competing domino processes: path-discriminating ability of epoxide stereochemistry at the angular position.","Organic letters","2009","11","16","3610","3613","10.1021/ol9013377","","","0.71069","MoKα","","0.1414","0.0905","","","0.2225","0.2447","","","","","","1.314","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504060","10.367","0.001","10.635","0.001","14.676","0.002","90","","100.819","0.005","90","","1589.3","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 O7 -","- C16 H22 O7 -","- C64 H88 O28 -","4","1","","Aquino, Maurizio; Safir, Imad; Elkhayat, Zobida; Gandara, Zoila; Perez, Manuel; Retailleau, Pascal; Arseniyadis, Siméon","Competing domino processes: path-discriminating ability of epoxide stereochemistry at the angular position.","Organic letters","2009","11","16","3610","3613","10.1021/ol9013377","","","0.71069","MoKα","","0.0635","0.0429","","","0.108","0.1194","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504061","10.489","0.005","13.758","0.005","12.54","0.004","90","","123.65","0.03","90","","1506.4","1.1","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C76 H88 O16 -","4","1","","Aquino, Maurizio; Safir, Imad; Elkhayat, Zobida; Gandara, Zoila; Perez, Manuel; Retailleau, Pascal; Arseniyadis, Siméon","Competing domino processes: path-discriminating ability of epoxide stereochemistry at the angular position.","Organic letters","2009","11","16","3610","3613","10.1021/ol9013377","","","0.71069","MoKα","","0.0848","0.0692","","","0.216","0.2208","","","","","","1.309","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504062","12.1","0.004","7.3","0.003","12.752","0.005","90","","111.89","0.02","90","","1045.2","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C48 H64 O12 -","4","1","","Aquino, Maurizio; Safir, Imad; Elkhayat, Zobida; Gandara, Zoila; Perez, Manuel; Retailleau, Pascal; Arseniyadis, Siméon","Competing domino processes: path-discriminating ability of epoxide stereochemistry at the angular position.","Organic letters","2009","11","16","3610","3613","10.1021/ol9013377","","","0.7107","MoKα","","0.0579","0.0387","","","0.0887","0.0977","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504063","7.724","0.002","27.076","0.005","9.347","0.002","90","","100.51","0.02","90","","1922","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 O6 -","- C21 H26 O6 -","- C84 H104 O24 -","4","1","","Aquino, Maurizio; Safir, Imad; Elkhayat, Zobida; Gandara, Zoila; Perez, Manuel; Retailleau, Pascal; Arseniyadis, Siméon","Competing domino processes: path-discriminating ability of epoxide stereochemistry at the angular position.","Organic letters","2009","11","16","3610","3613","10.1021/ol9013377","","","0.71069","MoKα","","0.0811","0.0454","","","0.1018","0.1169","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504064","17.103","0.004","8.857","0.002","29.744","0.008","90","","90","","90","","4505.7","1.9","123.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C25 H26 Br N O4 -","- C25 H26 Br N O4 -","- C200 H208 Br8 N8 O32 -","8","1","","Shintani, Ryo; Hayashi, Shin-ya; Murakami, Masataka; Takeda, Momotaro; Hayashi, Tamio","Stereoselective synthesis of spirooxindoles by palladium-catalyzed decarboxylative cyclization of gamma-methylidene-delta-valerolactones with isatins.","Organic letters","2009","11","16","3754","3756","10.1021/ol901348f","","","0.71075","MoKα","","","0.0553","","","","0.073","","","","","","1.014","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504065","7.1402","0.0002","12.5429","0.0003","15.2299","0.0003","90","","101.104","0.001","90","","1338.44","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O2 -","- C16 H19 N O2 -","- C64 H76 N4 O8 -","4","1","","Li, Cheng; Li, Xinyu; Hong, Ran","Synthetic study on tetrapetalones: stereoselective cyclization of N-acyliminium ion to construct substituted 1-benzazepines.","Organic letters","2009","11","18","4036","4039","10.1021/ol901349b","","","0.71073","MoKα","","0.0452","0.0395","","","0.1053","0.1106","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504066","7.6034","0.0003","12.7414","0.0005","13.9945","0.0005","90","","90","","90","","1355.76","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Li, Cheng; Li, Xinyu; Hong, Ran","Synthetic study on tetrapetalones: stereoselective cyclization of N-acyliminium ion to construct substituted 1-benzazepines.","Organic letters","2009","11","18","4036","4039","10.1021/ol901349b","","","0.71073","MoKα","","0.0324","0.0301","","","0.0753","0.0769","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504067","6.5177","0.0001","15.986","0.0003","18.6727","0.0003","90","","90","","90","","1945.55","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H25 N O -","- C24 H25 N O -","- C96 H100 N4 O4 -","4","1","","Concellón, José M; Tuya, Paula; del Solar, Virginia; García-Granda, Santiago; Díaz, M Rosario","Efficient and highly selective synthesis of enantiopure cis- or trans-3,4-disubstituted 1,2,3,4-tetrahydroisoquinolines.","Organic letters","2009","11","16","3750","3753","10.1021/ol901388e","","","1.5418","CuKα","","0.0342","0.0303","","","0.0787","0.082","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504068","10.3844","0.001","11.1279","0.001","19.5084","0.0018","90","","98.041","0.007","90","","2232.2","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 O6 S2 -","- C24 H28 O6 S2 -","- C96 H112 O24 S8 -","4","1","","Tarselli, Michael A.; Zuccarello, J. Lucas; Lee, Stephen J.; Gagné, Michel R","Gold(I)-catalyzed cascade cyclization of allenyl epoxides.","Organic letters","2009","11","15","3490","3492","10.1021/ol901391s","","","1.54178","CuKα","","0.0543","0.0479","","","0.1123","0.1153","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504069","15.0588","0.0013","15.0588","0.0013","15.827","0.0016","90","","90","","90","","3589","0.6","293","2","293","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C34 H36 F6 Mn N4 O6 S2 -","- C34 H36 F6 Mn N4 O6 S2 -","- C136 H144 F24 Mn4 N16 O24 S8 -","4","0.5","","Wu, Mei; Wang, Bin; Wang, Shoufeng; Xia, Chungu; Sun, Wei","Asymmetric epoxidation of olefins with chiral bioinspired manganese complexes.","Organic letters","2009","11","16","3622","3625","10.1021/ol901400m","","","0.71073","MoKα","","0.0643","0.0374","","","0.0737","0.0899","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504070","17.639","0.002","16.204","0.002","16.203","0.002","90","","90","","90","","4631.2","1","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H40 F6 Mn N4 O6 S2 -","- C42 H40 F6 Mn N4 O6 S2 -","- C168 H160 F24 Mn4 N16 O24 S8 -","4","1","","Wu, Mei; Wang, Bin; Wang, Shoufeng; Xia, Chungu; Sun, Wei","Asymmetric epoxidation of olefins with chiral bioinspired manganese complexes.","Organic letters","2009","11","16","3622","3625","10.1021/ol901400m","","","0.71073","MoKα","","0.1773","0.098","","","0.2181","0.2385","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504071","21.619","0.003","21.619","0.003","12.828","0.003","90","","90","","120","","5192.3","1.6","173","2","173","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C17 H22 Br N3 O5 -","- C17 H22 Br N3 O5 -","- C153 H198 Br9 N27 O45 -","9","1","","Cheng, Liang; Liu, Li; Wang, Dong; Chen, Yong-Jun","Highly enantioselective and organocatalytic alpha-amination of 2-oxindoles.","Organic letters","2009","11","17","3874","3877","10.1021/ol901405r","","","0.71073","MoKα","","0.0518","0.0473","","","0.1265","0.131","","","","","","1.081","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504072","8.9418","0.0018","12.02","0.002","12.756","0.003","115.51","0.03","92.14","0.03","107.65","0.03","1156.4","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 Cl N3 O5 -","- C23 H26 Cl N3 O5 -","- C46 H52 Cl2 N6 O10 -","2","1","","Cheng, Liang; Liu, Li; Wang, Dong; Chen, Yong-Jun","Highly enantioselective and organocatalytic alpha-amination of 2-oxindoles.","Organic letters","2009","11","17","3874","3877","10.1021/ol901405r","","","0.71073","MoKα","","0.0615","0.0549","","","0.127","0.1315","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504073","5.8503","0.0012","8.4929","0.0017","10.957","0.002","90","","95.88","0.03","90","","541.55","0.19","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H11 N O S -","- C13 H11 N O S -","- C26 H22 N2 O2 S2 -","2","1","","Cheng, Liang; Liu, Li; Wang, Dong; Chen, Yong-Jun","Highly enantioselective and organocatalytic alpha-amination of 2-oxindoles.","Organic letters","2009","11","17","3874","3877","10.1021/ol901405r","","","0.71073","MoKα","","0.0591","0.0444","","","0.0921","0.1142","","","","","","1.039","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504074","10.4248","0.0011","11.0694","0.0012","20.658","0.002","90","","90","","90","","2383.9","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H24 O -","- C33 H24 O -","- C132 H96 O4 -","4","1","","Chen, Yifeng; Lu, Yuhua; Li, Guijie; Liu, Yuanhong","Gold-catalyzed cascade Friedel-Crafts/furan-alkyne cycloisomerizations for the highly efficient synthesis of arylated (Z)-enones or -enals.","Organic letters","2009","11","17","3838","3841","10.1021/ol901408u","","","0.71073","MoKα","","0.0591","0.0415","","","0.0938","0.1003","","","","","","0.974","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504075","9.971","0.011","8.96","0.01","15.88","0.017","90","","103.924","0.016","90","","1377","3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O2 -","- C16 H18 O2 -","- C64 H72 O8 -","4","1","","Zheng, Zhao-Jing; Shu, Xing-Zhong; Ji, Ke-Gong; Zhao, Shu-Chun; Liang, Yong-Min","Acid-catalyzed skeletal rearrangement of epoxy alkynes: a fast access to highly functionalized allenes.","Organic letters","2009","11","15","3214","3217","10.1021/ol9014199","","","0.71073","MoKα","","0.0671","0.0412","","","0.1022","0.117","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504076","9.4886","0.0018","8.7358","0.0016","16.598","0.003","90","","95.417","0.009","90","","1369.7","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 Cl O2 -","- C15 H17 Cl O2 -","- C60 H68 Cl4 O8 -","4","1","","Zheng, Zhao-Jing; Shu, Xing-Zhong; Ji, Ke-Gong; Zhao, Shu-Chun; Liang, Yong-Min","Acid-catalyzed skeletal rearrangement of epoxy alkynes: a fast access to highly functionalized allenes.","Organic letters","2009","11","15","3214","3217","10.1021/ol9014199","","","0.71073","MoKα","","0.0514","0.0373","","","0.0915","0.1003","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504077","36.848","0.009","45.584","0.011","6.2397","0.0015","90","","90","","90","","10481","4","93","","93","","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C30 H34 B2 O4 -","- C30 H34 B2 O4 -","- C480 H544 B32 O64 -","16","1","","Kimoto, Takakazu; Tanaka, Kenro; Sakai, Yoshimasa; Ohno, Akira; Yoza, Kenji; Kobayashi, Kenji","2,8- and 2,9-Diboryltetracenes as useful building blocks for extended pi-conjugated tetracenes.","Organic letters","2009","11","16","3658","3661","10.1021/ol901420p","","","0.71073","MoKα","","0.0862","0.0454","","","0.0944","0.1094","","","","","","1.019","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504078","21.0704","0.0018","8.8723","0.0008","20.4017","0.0018","90","","121.08","0.002","90","","3266.5","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26.52 H48.95 N8.26 O13.48 S -","- C26.527 H48.948 N8.264 O13.474 S -","- C106.108 H195.792 N33.056 O53.896 S4 -","4","0.5","","Kang, Sung Ok; Day, Victor W.; Bowman-James, Kristin","The influence of amine functionalities on anion binding in polyamide-containing macrocycles.","Organic letters","2009","11","16","3654","3657","10.1021/ol9014249","","","0.71073","MoKα","","0.0822","0.0553","","","0.1266","0.1392","","","","","","1.02","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1504079","8.1169","0.0011","11.2001","0.0015","11.4236","0.0015","108.885","0.002","93.062","0.002","107.523","0.002","923.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H54 N8 O18 P2 -","- C26 H54 N8 O18 P2 -","- C26 H54 N8 O18 P2 -","1","0.5","","Kang, Sung Ok; Day, Victor W.; Bowman-James, Kristin","The influence of amine functionalities on anion binding in polyamide-containing macrocycles.","Organic letters","2009","11","16","3654","3657","10.1021/ol9014249","","","0.71073","MoKα","","0.0996","0.0928","","","0.1968","0.2005","","","","","","1.004","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1504080","10.753","0.001","20.1934","0.0019","17.5334","0.0017","90","","99.367","0.002","90","","3756.4","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H60 N8 O13 S -","- C32 H58 N8 O13 S -","- C128 H232 N32 O52 S4 -","4","1","","Kang, Sung Ok; Day, Victor W.; Bowman-James, Kristin","The influence of amine functionalities on anion binding in polyamide-containing macrocycles.","Organic letters","2009","11","16","3654","3657","10.1021/ol9014249","","","0.71073","MoKα","","0.0908","0.075","","","0.2334","0.2465","","","","","","1.025","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"1504081","10.4079","0.0011","20.877","0.002","20.852","0.002","90","","102.5","0.002","90","","4423.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35.32 H62.76 N8 O14.77 P -","- C35.319 H62.76 N8 O14.773 P -","- C141.276 H251.04 N32 O59.092 P4 -","4","1","","Kang, Sung Ok; Day, Victor W.; Bowman-James, Kristin","The influence of amine functionalities on anion binding in polyamide-containing macrocycles.","Organic letters","2009","11","16","3654","3657","10.1021/ol9014249","","","0.71073","MoKα","","0.0897","0.0694","","","0.212","0.225","","","","","","1.019","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"1504082","21.554","0.004","20.961","0.004","17.568","0.003","90","","97.789","0.004","90","","7864","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H56 N8 O14 P2 -","- C31 H56 N8 O14 P2 -","- C248 H448 N64 O112 P16 -","8","2","","Kang, Sung Ok; Day, Victor W.; Bowman-James, Kristin","The influence of amine functionalities on anion binding in polyamide-containing macrocycles.","Organic letters","2009","11","16","3654","3657","10.1021/ol9014249","","","0.71073","MoKα","","0.0861","0.0507","","","0.1258","0.1343","","","","","","0.919","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1504083","14.488","0.002","18.236","0.003","28.915","0.004","90","","90","","90","","7639","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H52 N8 O8 -","- C36 H52 N8 O8 -","- C288 H416 N64 O64 -","8","1","","Kang, Sung Ok; Day, Victor W.; Bowman-James, Kristin","The influence of amine functionalities on anion binding in polyamide-containing macrocycles.","Organic letters","2009","11","16","3654","3657","10.1021/ol9014249","","","0.71073","MoKα","","0.0727","0.0486","","","0.1037","0.1108","","","","","","1.003","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1504084","23.342","0.004","5.7712","0.0009","17.317","0.003","90","","130.887","0.005","90","","1763.6","0.5","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H24 N2 O4 -","- C17 H24 N2 O4 -","- C68 H96 N8 O16 -","4","1","","Duguet, Nicolas; Slawin, Alexandra M. Z.; Smith, Andrew D.","An asymmetric hetero-claisen approach to 3-alkyl-3-aryloxindoles.","Organic letters","2009","11","17","3858","3861","10.1021/ol901441t","","","1.54178","CuKα","","0.1281","0.1038","","","0.1462","0.1543","","","","","","1.255","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504085","11.11","0.004","5.629","0.004","20.2","0.008","90","","96.287","0.01","90","","1255.7","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(2-acetyl-1,2-dihydroisoquinolin-1-yl)furan-2(5H)-one","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Hermange, Philippe; Tran Huu Dau, Marie Elise; Retailleau, Pascal; Dodd, Robert H.","Highly diastereoselective three-component vinylogous Mannich reaction between isoquinolines, acyl/sulfonyl chlorides, and silyloxyfurans.","Organic letters","2009","11","18","4044","4047","10.1021/ol901452d","","","0.71069","MoKα","","0.116","0.0605","","","0.141","0.1742","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504086","8.351","0.002","9.897","0.002","12.327","0.003","110.85","0.006","90.686","0.005","101.286","0.005","930","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","5-methyl-5-(2-tosyl-1,2-dihydroisoquinolin-1-yl)furan-2(5H)-one","","- C21 H19 N O4 S -","- C21 H19 N O4 S -","- C42 H38 N2 O8 S2 -","2","1","","Hermange, Philippe; Tran Huu Dau, Marie Elise; Retailleau, Pascal; Dodd, Robert H.","Highly diastereoselective three-component vinylogous Mannich reaction between isoquinolines, acyl/sulfonyl chlorides, and silyloxyfurans.","Organic letters","2009","11","18","4044","4047","10.1021/ol901452d","","","0.71069","MoKα","","0.0692","0.0422","","","0.1081","0.1227","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504087","5.735","0.003","15.439","0.006","13.086","0.005","90","","110.233","0.005","90","","1087.2","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-hydroxy-2,3,6,7-tetrahydro-1H-pyrido[2,1-a]isoquinolin-4(11bH)-one","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Hermange, Philippe; Tran Huu Dau, Marie Elise; Retailleau, Pascal; Dodd, Robert H.","Highly diastereoselective three-component vinylogous Mannich reaction between isoquinolines, acyl/sulfonyl chlorides, and silyloxyfurans.","Organic letters","2009","11","18","4044","4047","10.1021/ol901452d","","","0.71069","MoKα","","0.1321","0.0542","","","0.1093","0.139","","","","","","0.974","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504088","10.096","0.003","14.429","0.004","13.147","0.004","90","","90","","90","","1915.2","1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H18 Cl3 N O3 -","- C18 H18 Cl3 N O3 -","- C72 H72 Cl12 N4 O12 -","4","1","","Hermange, Philippe; Tran Huu Dau, Marie Elise; Retailleau, Pascal; Dodd, Robert H.","Highly diastereoselective three-component vinylogous Mannich reaction between isoquinolines, acyl/sulfonyl chlorides, and silyloxyfurans.","Organic letters","2009","11","18","4044","4047","10.1021/ol901452d","","","0.71069","MoKα","","0.0851","0.0653","","","0.1826","0.2016","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504089","10.6641","0.0001","7.8382","0.0001","18.3358","0.0002","90","","95.948","0.001","90","","1524.39","0.03","100","2","100","2","","","","","","","kgroup","4","P 1 21/n 1","-P 2yn","14","polycyclic hemiacetal","3-hydroxy-8-(4-pyridyl)-1-(2-thienyl)-2-oxatricyclo[5.2.1.0(4,9)]decane","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Valiulin, Roman A.; Kutateladze, Andrei G.","Harvesting the strain installed by a Paternò-Büchi step in a synthetically useful way: high-yielding photoprotolytic oxametathesis in polycyclic systems.","Organic letters","2009","11","17","3886","3889","10.1021/ol901456m","","x-ray","0.71073","MoKα","","0.0554","0.0433","","","0.1131","0.1302","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504090","19.0037","0.0005","35.6919","0.001","10.5937","0.0003","90","","90","","90","","7185.5","0.3","100","2","100","2","","","","","","","kgroup","3","F d d 2","F 2 -2d","43","","10-benzoyl-9-phenyltetracyclo[5.2.1.0(2,9).0(3,6)]dec-4-ene-2-carboxaldehyde","","- C24 H20 O2 -","- C24 H20 O2 -","- C384 H320 O32 -","16","1","","Valiulin, Roman A.; Kutateladze, Andrei G.","Harvesting the strain installed by a Paternò-Büchi step in a synthetically useful way: high-yielding photoprotolytic oxametathesis in polycyclic systems.","Organic letters","2009","11","17","3886","3889","10.1021/ol901456m","","x-ray","0.71073","MoKα","","0.0878","0.052","","","0.1327","0.1596","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504091","21.2315","0.0008","6.5111","0.0002","10.7839","0.0004","90","","90","","90","","1490.77","0.09","296","2","296","2","","","","","","","kgroup","3","P n a 21","P 2c -2n","33","oxetane","4,7-diphenyl-3-oxatricyclo[4.2.2.0(4,8)]decane","","- C21 H20 O -","- C21 H20 O -","- C84 H80 O4 -","4","1","","Valiulin, Roman A.; Kutateladze, Andrei G.","Harvesting the strain installed by a Paternò-Büchi step in a synthetically useful way: high-yielding photoprotolytic oxametathesis in polycyclic systems.","Organic letters","2009","11","17","3886","3889","10.1021/ol901456m","","x-ray","0.71073","MoKα","","0.1436","0.0427","","","0.1322","0.1663","","","","","","0.478","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504092","16.7615","0.0005","10.1571","0.0003","20.7291","0.0006","90","","108.722","0.002","90","","3342.36","0.17","100","2","100","2","","","","","","","synthesized by rav","3","P 1 21/n 1","-P 2yn","14","tetracyclic oxetane","exo-11-benzoyl-4-phenyl3-oxatetracyclo[4.3.2.0(4,10).0(7,9)]undecane","","- C23 H20 O2 -","- C23 H20 O2 -","- C184 H160 O16 -","8","2","","Valiulin, Roman A.; Kutateladze, Andrei G.","Harvesting the strain installed by a Paternò-Büchi step in a synthetically useful way: high-yielding photoprotolytic oxametathesis in polycyclic systems.","Organic letters","2009","11","17","3886","3889","10.1021/ol901456m","","x-ray","0.71073","MoKα","","0.1191","0.0916","","","0.2405","0.2761","","","","","","0.948","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504093","12.5","0.004","12.906","0.005","18.607","0.006","78.959","0.006","78.684","0.006","70.333","0.006","2746","1.6","173","1","173","1","","","","","","","","3","P -1","-P 1","2","","","","- C60 H86 O8 -","- C60 H86 O8 -","- C120 H172 O16 -","2","1","","Kuno, Lev; Biali, Silvio E.","Restricted rotation of tert-butyl groups in sterically crowded methylene-functionalized calix[4]arenes.","Organic letters","2009","11","16","3662","3665","10.1021/ol901472j","","","0.71073","MoKα","","0.1152","0.1023","","","0.2238","0.2312","","","","","","1.224","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504094","9.6634","0.0017","13.954","0.002","15.464","0.003","76.183","0.007","88.614","0.008","80.276","0.007","1995.5","0.6","193","2","193","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 O -","- C28 H20 O -","- C112 H80 O4 -","4","2","","Meyer, S. Todd; Hergenrother, Paul J.","Small molecule ligands for bulged RNA secondary structures.","Organic letters","2009","11","18","4052","4055","10.1021/ol901478x","","","0.71073","MoKα","","0.2218","0.0583","","","0.0993","0.1434","","","","","","0.89","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1504095","17.1785","0.0019","6.5035","0.0007","17.2798","0.0018","90","","101.927","0.006","90","","1888.8","0.4","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 O -","- C28 H20 O -","- C112 H80 O4 -","4","1","","Meyer, S. Todd; Hergenrother, Paul J.","Small molecule ligands for bulged RNA secondary structures.","Organic letters","2009","11","18","4052","4055","10.1021/ol901478x","","","0.71073","MoKα","","0.1776","0.0541","","","0.0902","0.1255","","","","","","0.942","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1504096","26.323","0.002","6.1374","0.0006","13.3377","0.0011","90","","96.461","0.005","90","","2141.1","0.3","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C23 H34 O4 -","- C23 H34 O4 -","- C92 H136 O16 -","4","1","","Chin, Yen-Jin; Wang, Shun-Yi; Loh, Teck-Peng","Synthesis of iriomoteolide-1a C13-C23 fragment via asymmetric conjugate addition and Julia-Kocienski coupling reaction.","Organic letters","2009","11","16","3674","3676","10.1021/ol901480s","","","0.71073","MoKα","","0.0506","0.0379","","","0.1009","0.1146","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504097","8.454","0.005","10.416","0.005","11.534","0.005","111.416","0.005","94.438","0.005","104.322","0.005","900.2","0.8","292","2","292","2","","","","","","","","3","P -1","-P 1","2","","4-Benzoyl-3a-hydroxy-7a-methyl-5-propyl-octahydro-inden-1-one","","- C20 H26 O3 -","- C20 H26 O3 -","- C40 H52 O6 -","2","1","","Beauseigneur, Alice; Ericsson, Cecilia; Renaud, Philippe; Schenk, Kurt","B-Alkylcatecholborane-mediated tandem radical conjugated addition-aldol cyclization.","Organic letters","2009","11","16","3778","3781","10.1021/ol9014943","","","0.71073","MoKα","","0.0724","0.0468","","","0.1066","0.1176","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504098","8.5042","0.0011","10.5571","0.0013","11.489","0.0015","110.098","0.01","95.633","0.01","104.645","0.01","917.6","0.2","292","2","292","2","","","","","","","","3","P -1","-P 1","2","","5-Benzoyl-4a-hydroxy-8a-methyl-6-propyl-octahydro-naphthalen-1-one","","- C21 H28 O3 -","- C21 H28 O3 -","- C42 H56 O6 -","2","1","","Beauseigneur, Alice; Ericsson, Cecilia; Renaud, Philippe; Schenk, Kurt","B-Alkylcatecholborane-mediated tandem radical conjugated addition-aldol cyclization.","Organic letters","2009","11","16","3778","3781","10.1021/ol9014943","","","0.71073","MoKα","","0.0712","0.041","","","0.1073","0.1156","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504099","9.601","0.004","10.575","0.005","12.022","0.005","90","","92.744","0.007","90","","1219.2","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Cl N O -","- C14 H14 Cl N O -","- C56 H56 Cl4 N4 O4 -","4","1","","Lu, Shen-Ci; Duan, Xiao-Yong; Shi, Zong-Jun; Li, Bing; Ren, Yu-Wei; Zhang, Wei; Zhang, Yong-Hui; Tu, Zhi-Feng","Photoinduced Intramolecular addition of 3-acyl-2-haloindoles to alkenes.","Organic letters","2009","11","17","3902","3905","10.1021/ol901498f","","","0.71073","MoKα","","0.1001","0.0476","","","0.116","0.145","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504100","9.237","0.0007","15.927","0.0012","7.966","0.0006","90","","93.364","0.001","90","","1169.92","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl N O -","- C14 H14 Cl N O -","- C56 H56 Cl4 N4 O4 -","4","1","","Lu, Shen-Ci; Duan, Xiao-Yong; Shi, Zong-Jun; Li, Bing; Ren, Yu-Wei; Zhang, Wei; Zhang, Yong-Hui; Tu, Zhi-Feng","Photoinduced Intramolecular addition of 3-acyl-2-haloindoles to alkenes.","Organic letters","2009","11","17","3902","3905","10.1021/ol901498f","","","0.71073","MoKα","","0.0409","0.0351","","","0.089","0.0941","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504101","7.5084","0.0008","8.3001","0.0009","17.5331","0.0019","90","","92.508","0.002","90","","1091.6","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C48 H44 N12 O8 -","4","1","","Shi, Baolu; Lewis, William; Campbell, Ian B.; Moody, Christopher J.","A concise route to pyridines from hydrazides by metal carbene N-H insertion, 1,2,4-triazine formation, and Diels-Alder reaction.","Organic letters","2009","11","16","3686","3688","10.1021/ol901502u","","","0.71073","MoKα","","0.0501","0.0456","","","0.1238","0.1283","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504102","10.0514","0.0003","10.6807","0.0003","17.5467","0.0005","90","","90","","90","","1883.74","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 N2 -","- C26 H20 N2 -","- C104 H80 N8 -","4","1","","Eisch, John J.; Manchanayakage, Renuka N.; Rheingold, Arnold L.","Attempted generation of the potentially aromatic 6,7-diphenyldibenzo[e,g][1,4]diazocine dianion leads with profound rearrangement to the isomeric n-(2-amino-1,2-diphenylethenyl)carbazole dianions.","Organic letters","2009","11","18","4060","4063","10.1021/ol901503s","","","1.54178","CuKα","","0.0353","0.032","","","0.0799","0.0824","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504103","7.3565","0.0006","13.3596","0.0012","19.9232","0.0018","92.014","0.006","98.566","0.006","99.128","0.006","1908.2","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H20 N2 -","- C26 H20 N2 -","- C104 H80 N8 -","4","2","","Eisch, John J.; Manchanayakage, Renuka N.; Rheingold, Arnold L.","Attempted generation of the potentially aromatic 6,7-diphenyldibenzo[e,g][1,4]diazocine dianion leads with profound rearrangement to the isomeric n-(2-amino-1,2-diphenylethenyl)carbazole dianions.","Organic letters","2009","11","18","4060","4063","10.1021/ol901503s","","","1.54178","CuKα","","0.0912","0.0511","","","0.1124","0.1318","","","","","","0.964","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504104","33.2133","0.0014","7.9061","0.0003","17.9377","0.0006","90","","90","","90","","4710.2","0.3","297","2","297","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C27 H24 N2 O3 -","- C27 H24 N2 O3 -","- C216 H192 N16 O24 -","8","1","","Lin, Chi-Hui; Jhang, Jing-Fu; Yang, Ding-Yah","One-pot synthesis of coumarin-based oxazabicyclic and oxazatricyclic compounds and their fluorescence redox switching properties.","Organic letters","2009","11","18","4064","4067","10.1021/ol901505e","","x-ray","0.71073","MoKα","","0.0957","0.0773","","","0.223","0.243","","","","","","1.174","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1504105","9.0795","0.0009","11.1502","0.0011","11.7893","0.0011","65.448","0.002","88.094","0.002","78.917","0.002","1063.91","0.18","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H26 N2 O3 -","- C25 H26 N2 O3 -","- C50 H52 N4 O6 -","2","1","","Lin, Chi-Hui; Jhang, Jing-Fu; Yang, Ding-Yah","One-pot synthesis of coumarin-based oxazabicyclic and oxazatricyclic compounds and their fluorescence redox switching properties.","Organic letters","2009","11","18","4064","4067","10.1021/ol901505e","","x-ray","0.71073","MoKα","","0.0628","0.0573","","","0.1993","0.2105","","","","","","1.228","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504106","10.824","0.005","14.282","0.006","16.681","0.007","90","","101.355","0.009","90","","2528.2","1.9","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 N2 O3 -","- C27 H26 N2 O3 -","- C108 H104 N8 O12 -","4","1","","Lin, Chi-Hui; Jhang, Jing-Fu; Yang, Ding-Yah","One-pot synthesis of coumarin-based oxazabicyclic and oxazatricyclic compounds and their fluorescence redox switching properties.","Organic letters","2009","11","18","4064","4067","10.1021/ol901505e","","x-ray","0.71073","MoKα","","0.1763","0.0908","","","0.2069","0.2281","","","","","","0.977","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1504107","13.0902","0.0008","16.4023","0.001","19.4869","0.0012","90","","90","","90","","4184","0.4","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H28 N2 O3 -","- C25 H28 N2 O3 -","- C200 H224 N16 O24 -","8","1","","Lin, Chi-Hui; Jhang, Jing-Fu; Yang, Ding-Yah","One-pot synthesis of coumarin-based oxazabicyclic and oxazatricyclic compounds and their fluorescence redox switching properties.","Organic letters","2009","11","18","4064","4067","10.1021/ol901505e","","x-ray","0.71073","MoKα","","0.0703","0.0474","","","0.1445","0.1561","","","","","","1.318","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504108","9.3504","0.0012","18.666","0.002","20.153","0.003","90","","90","","90","","3517.4","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H48 N2 O13 -","- C30 H48 N2 O13 -","- C120 H192 N8 O52 -","4","1","","Gao, Zheng-Xi; Wang, Meng; Wang, Shaozhong; Yao, Zhu-Jun","Efficient synthesis of 4-amido-N(5)-acetyl-4-deoxyneuraminic acid and its application to the C-4 modification of sialic acids.","Organic letters","2009","11","16","3678","3681","10.1021/ol901511x","","","0.71073","MoKα","","0.1417","0.064","","","0.1432","0.1651","","","","","","0.812","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504109","7.816","0.0016","19.39","0.004","12.728","0.003","90","","91.5","0.03","90","","1928.3","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H2 Br N4 O2 -","- C16 H29 Br N4 O5 -","- C64 H116 Br4 N16 O20 -","4","1","","Semakin, Artem N.; Sukhorukov, Alexey Yu; Lesiv, Alexey V.; Ioffe, Sema L.; Lyssenko, Konstantin A.; Nelyubina, Yulia V.; Tartakovsky, Vladimir A.","Unusual intramolecular cyclization of tris(beta-oximinoalkyl)amines. the first synthesis of 1,4,6,10-tetraazaadamantanes.","Organic letters","2009","11","18","4072","4075","10.1021/ol9015157","","","0.71073","MoKα","","0.0832","0.0422","","","0.0929","0.0963","","","","","","0.937","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504110","8.0368","0.0006","16.0616","0.0011","11.7596","0.0008","90","","100.562","0.006","90","","1492.26","0.18","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H50 N8 O16 -","- C22 H50 N8 O16 -","- C44 H100 N16 O32 -","2","1","","Semakin, Artem N.; Sukhorukov, Alexey Yu; Lesiv, Alexey V.; Ioffe, Sema L.; Lyssenko, Konstantin A.; Nelyubina, Yulia V.; Tartakovsky, Vladimir A.","Unusual intramolecular cyclization of tris(beta-oximinoalkyl)amines. the first synthesis of 1,4,6,10-tetraazaadamantanes.","Organic letters","2009","11","18","4072","4075","10.1021/ol9015157","","","0.71073","MoKα","","0.0611","0.0475","","","0.1105","0.1183","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504111","9.318","0.005","9.838","0.007","10.808","0.007","77.76","0.03","68.27","0.03","70.39","0.03","862.6","1","120","2","120","2","","","","","","","","3","P -1","-P 1","2","2-biphenylBS","2-(4-Biphenyl)-1,1-dimethylbenzo[b]silole","","- C22 H20 Si -","- C22 H20 Si -","- C44 H40 Si2 -","2","1","","Ilies, Laurean; Tsuji, Hayato; Nakamura, Eiichi","Synthesis of benzo[b]siloles via KH-promoted cyclization of (2-alkynylphenyl)silanes.","Organic letters","2009","11","17","3966","3968","10.1021/ol9015282","","","0.7107","MoKα","","0.0454","0.0407","","","0.0983","0.1029","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504112","51.867","0.002","16.796","0.0007","36.2025","0.0015","90","","124.185","0.001","90","","26089.2","1.9","220","2","220","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Na3.33(C57H60N40O20)(TFA)3.33(TFAH)4.67(H2O)20.5","Na3.33(C57H60N40O20)(TFA)3.33(TFAH)4.67(H2O)20.5","","- C73 H105.74 F24 N40 Na3.33 O56.53 -","- C57 H60 N40 Na3.337 O20 -","- C456 H480 N320 Na26.696 O160 -","8","1","","Huang, Wei-Hao; Zavalij, Peter Y.; Isaacs, Lyle","Metal-ion-induced folding and dimerization of a glycoluril decamer in water.","Organic letters","2009","11","17","3918","3921","10.1021/ol901539q","","","0.71073","MoKα","","0.1265","0.0799","","","0.1607","0.1723","","","","","","1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504113","23.465","0.001","30.5747","0.0013","31.8174","0.0013","108.231","0.0005","99.079","0.0006","110.589","0.0005","19353.8","1.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","7Na(CB5-CH2-CB5)2(SO4)2(TFA)3*27H2O","7Na(CB5-CH2-CB5)2(SO4)2(TFA)3*27H2O,Z=4","","- C120 H174.15 F9 N80 Na7 O81.07 S2 -","- C114 H120 N80 Na7 O53.55 -","- C456 H480 N320 Na28 O214.2 -","4","2","","Huang, Wei-Hao; Zavalij, Peter Y.; Isaacs, Lyle","Metal-ion-induced folding and dimerization of a glycoluril decamer in water.","Organic letters","2009","11","17","3918","3921","10.1021/ol901539q","","","0.71073","MoKα","","0.0766","0.0487","","","0.1097","0.115","","","","","","1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504114","6.797","0.0003","27.1487","0.0012","10.6266","0.0005","90","","100.197","0.003","90","","1929.95","0.15","150","2","150","2","","","","","","","Claire Oswald","4","P 1 21 1","P 2yb","4","","","","- C24 H18 Cl2 O2 -","- C24 H18 Cl2 O2 -","- C96 H72 Cl8 O8 -","4","2","","Oswald, Claire L.; Peterson, Justine A.; Lam, Hon Wai","Enantioselective copper-catalyzed reductive Michael cyclizations.","Organic letters","2009","11","20","4504","4507","10.1021/ol901560r","","","0.71073","MoKα","","0.0496","0.0459","","","0.1009","0.1027","","","","","","1.109","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504115","6.1649","0.0002","8.0908","0.0003","51.2892","0.0016","90","","92.662","0.002","90","","2555.49","0.15","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H29 Cl2 N O5 -","- C29 H29 Cl2 N O5 -","- C116 H116 Cl8 N4 O20 -","4","1","","Oswald, Claire L.; Peterson, Justine A.; Lam, Hon Wai","Enantioselective copper-catalyzed reductive Michael cyclizations.","Organic letters","2009","11","20","4504","4507","10.1021/ol901560r","","","0.71073","MoKα","","0.0658","0.059","","0.1343","0.1284","0.1343","","","","","","0.9845","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1504116","9.2571","0.0006","13.4283","0.0007","11.0755","0.0006","90","","94.92","0.003","90","","1371.69","0.14","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2E)-ethyl 2-(benzoylimino)-5-methyl-1,3-oxathiole-4-carboxylate","","- C14 H13 N O4 S -","- C14 H13 N O4 S -","- C56 H52 N4 O16 S4 -","4","1","","Palsuledesai, Charuta C.; Murru, Siva; Sahoo, Santosh K.; Patel, Bhisma K.","Acyl-isothiocyanates as efficient thiocyanate transfer reagents.","Organic letters","2009","11","15","3382","3385","10.1021/ol901561j","","x-ray","0.71073","MoKα","","0.0626","0.0447","","","0.1354","0.1493","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504117","32.3486","0.0011","7.7362","0.0003","18.9463","0.0007","90","","124.921","0.002","90","","3887.7","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 N2 O4 S2 -","- C20 H16 N2 O4 S2 -","- C160 H128 N16 O32 S16 -","8","1","","Palsuledesai, Charuta C.; Murru, Siva; Sahoo, Santosh K.; Patel, Bhisma K.","Acyl-isothiocyanates as efficient thiocyanate transfer reagents.","Organic letters","2009","11","15","3382","3385","10.1021/ol901561j","","","0.71073","MoKα","","0.0626","0.0391","","","0.1229","0.1473","","","","","","0.955","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504118","9.4658","0.0002","10.2821","0.0002","19.9354","0.0004","90","","90","","90","","1940.28","0.07","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H9 N O2 S -","- C10 H9 N O2 S -","- C80 H72 N8 O16 S8 -","8","1","","Palsuledesai, Charuta C.; Murru, Siva; Sahoo, Santosh K.; Patel, Bhisma K.","Acyl-isothiocyanates as efficient thiocyanate transfer reagents.","Organic letters","2009","11","15","3382","3385","10.1021/ol901561j","","","0.71073","MoKα","","0.0473","0.0372","","","0.1426","0.1581","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504119","7.8625","0.0003","10.7999","0.0004","18.3965","0.0008","90","","90.968","0.002","90","","1561.9","0.11","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 I N2 O2 -","- C17 H15 I N2 O2 -","- C68 H60 I4 N8 O8 -","4","1","","Kramer, Søren; Dooleweerdt, Karin; Lindhardt, Anders Thyboe; Rottländer, Mario; Skrydstrup, Troels","Highly regioselective Au(I)-catalyzed hydroamination of ynamides and propiolic acid derivatives with anilines.","Organic letters","2009","11","18","4208","4211","10.1021/ol901565p","","x-ray","0.71073","MoKα","","0.017","0.0161","","","0.0427","0.0431","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504120","12.7746","0.0009","5.8697","0.0004","16.037","0.0011","90","","102.412","0.004","90","","1174.4","0.14","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H23 N O4 S -","- C27 H23 N O4 S -","- C54 H46 N2 O8 S2 -","2","1","","Lu, Hai-Hua; Zhang, Fu-Gen; Meng, Xiang-Gao; Duan, Shu-Wen; Xiao, Wen-Jing","Enantioselective Michael reactions of beta, beta-disubstituted nitroalkenes: a new approach to beta(2,2)-amino acids with hetero-quaternary stereocenters.","Organic letters","2009","11","17","3946","3949","10.1021/ol901572x","","","0.71073","MoKα","","0.0547","0.0456","","","0.1125","0.1178","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504121","10.96","0.002","16.77","0.003","12.38","0.003","90","","100.46","0.03","90","","2237.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Br N O4 S -","- C23 H23 Br N O4 S -","- C92 H92 Br4 N4 O16 S4 -","4","1","","Wei, Jun-Fa; Chen, Zhan-Guo; Lei, Wei; Zhang, Li-Hui; Wang, Ming-Zheng; Shi, Xian-Ying; Li, Run-Tao","Silicon powder: the first nonmetal elemental catalyst for aminobromination of olefins with TsNH(2) and NBS.","Organic letters","2009","11","18","4216","4219","10.1021/ol9015833","","","0.71073","MoKα","","0.083","0.0402","","","0.1076","0.1262","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504122","10.503","0.002","11.062","0.002","12.012","0.002","91.99","0.03","112.83","0.03","116.73","0.03","1111.1","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H21 Br N O4 S -","- C23 H21 Br N O4 S -","- C46 H42 Br2 N2 O8 S2 -","2","1","","Wei, Jun-Fa; Chen, Zhan-Guo; Lei, Wei; Zhang, Li-Hui; Wang, Ming-Zheng; Shi, Xian-Ying; Li, Run-Tao","Silicon powder: the first nonmetal elemental catalyst for aminobromination of olefins with TsNH(2) and NBS.","Organic letters","2009","11","18","4216","4219","10.1021/ol9015833","","","0.71073","MoKα","","0.0406","0.0317","","","0.0855","0.0909","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504123","15.884","0.0009","4.626","0.0002","19.4181","0.001","90","","90","","90","","1426.83","0.13","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H12 N2 O -","- C21 H12 N2 O -","- C84 H48 N8 O4 -","4","1","","Haag, Benjamin; Peng, Zhihua; Knochel, Paul","Preparation of polyfunctional indazoles and heteroarylazo compounds using highly functionalized zinc reagents.","Organic letters","2009","11","19","4270","4273","10.1021/ol901585k","","","0.71073","MoKα","","0.0641","0.0415","","","0.0895","0.1008","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504124","9.117","0.0018","8.628","0.0017","19.717","0.004","90","","95.16","0.03","90","","1544.7","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O6 -","- C18 H20 O6 -","- C72 H80 O24 -","4","1","","Geng, Chang-An; Jiang, Zhi-Yong; Ma, Yun-Bao; Luo, Jie; Zhang, Xue-Mei; Wang, Hong-Ling; Shen, Yong; Zuo, Ai-Xue; Zhou, Jun; Chen, Ji-Jun","Swerilactones A and B, anti-HBV new lactones from a tradtional Chinese herb: Swertia mileensis as a treatment for viral hepatitis.","Organic letters","2009","11","18","4120","4123","10.1021/ol901592f","","","0.71073","MoKα","","0.1456","0.0675","","","0.1382","0.1849","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504125","7.4578","0.0012","15.834","0.003","7.0431","0.0012","90","","111.745","0.002","90","","772.5","0.2","298","2","298","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C18 H21 O6 -","- C18 H21 O6 -","- C36 H42 O12 -","2","1","","Geng, Chang-An; Jiang, Zhi-Yong; Ma, Yun-Bao; Luo, Jie; Zhang, Xue-Mei; Wang, Hong-Ling; Shen, Yong; Zuo, Ai-Xue; Zhou, Jun; Chen, Ji-Jun","Swerilactones A and B, anti-HBV new lactones from a tradtional Chinese herb: Swertia mileensis as a treatment for viral hepatitis.","Organic letters","2009","11","18","4120","4123","10.1021/ol901592f","","","0.71073","MoKα","","0.0771","0.0498","","","0.1312","0.155","","","","","","0.89","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504126","19.932","0.009","11.06","0.005","15.993","0.007","90","","125.953","0.005","90","","2854","2","113.1","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C24 H12 -","- C24 H12 -","- C192 H96 -","8","1","","Umeda, Rui; Hibi, Daijiro; Miki, Koji; Tobe, Yoshito","Tetradehydrodinaphtho[10]annulene: a hitherto unknown dehydroannulene and a viable precursor to stable zethrene derivatives.","Organic letters","2009","11","18","4104","4106","10.1021/ol9015942","","","0.71075","MoKα","","","0.076","","","","0.2535","","","","","","1.169","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504127","5.2032","0.0002","12.4052","0.0004","20.7454","0.0007","90","","90","","90","","1339.05","0.08","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H15 Cl O2 -","- C15 H15 Cl O2 -","- C60 H60 Cl4 O8 -","4","1","","Marqués-López, Eugenia; Herrera, Raquel P.; Marks, Timo; Jacobs, Wiebke C.; Könning, Daniel; de Figueiredo, Renata M.; Christmann, Mathias","Crossed intramolecular Rauhut-Currier-type reactions via dienamine activation.","Organic letters","2009","11","18","4116","4119","10.1021/ol901614t","","","0.71073","MoKα","","0.0425","0.0281","","","0.0584","0.0599","","","","","","0.922","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504128","12.7151","0.0003","8.5294","0.0003","17.2463","0.0005","90","","108.811","0.002","90","","1770.5","0.09","117","2","117","2","","","","","","","","4","P 1 21 1","P 2yb","4","Leucophylline","","","- C42 H52 N4 O3 -","- C42 H52 N4 O3 -","- C84 H104 N8 O6 -","2","1","","Gan, Chew-Yan; Robinson, Ward T.; Etoh, Tadahiro; Hayashi, Masahiko; Komiyama, Kanki; Kam, Toh-Seok","Leucophyllidine, a cytotoxic bisindole alkaloid constituted from the union of an eburnan and a new vinylquinoline alkaloid.","Organic letters","2009","11","17","3962","3965","10.1021/ol9016172","","","0.71073","MoKα","","0.0583","0.0489","","","0.13","0.1375","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504129","6.9331","0.0008","8.3871","0.0009","16.424","0.0019","102.313","0.002","91.417","0.002","97.461","0.002","923.81","0.18","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 O7 -","- C20 H20 O7 -","- C40 H40 O14 -","2","1","","Zheng, Suqing; Lu, Xiyan","Phosphine-catalyzed [4 + 3] annulation for the synthesis of highly functionalized bicyclo[3.2.2]nonadienes.","Organic letters","2009","11","17","3978","3981","10.1021/ol901618h","","","0.71073","MoKα","","0.0638","0.0492","","","0.1234","0.1312","","","","","","0.973","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504130","14.7357","0.0004","17.0703","0.0003","17.6198","0.0004","90","","105.354","0.003","90","","4273.94","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5,15,20,30-tetramesityl-10,25-diphenyl-8,23-dioxo-7,22-diaza-33,37-dicarba-A,D-di-p-benzi[28]hexaphyrin(1.1.1.1.1.1) dichloromethane tetrasolvate","","- C98 H104 Cl8 N4 O2 -","- C98 H104 Cl8 N4 O2 -","- C196 H208 Cl16 N8 O4 -","2","0.5","","Stepień, Marcin; Szyszko, Bartosz; Latos-Grazyński, Lechosław","Steric control in the synthesis of p-benziporphyrins. Formation of a doubly N-confused benzihexaphyrin macrocycle.","Organic letters","2009","11","17","3930","3933","10.1021/ol9016222","","","0.7107","MoKα","","0.1334","0.0552","","","0.1291","0.1488","","","","","","0.913","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504131","10.4174","0.0009","37.939","0.004","10.277","0.0009","90","","90","","90","","4061.7","0.7","173","2","173","2","","","","","","","","3","A b a 2","A 2 -2ab","41","","","","- C12 H6 O6 -","- C12 H6 O6 -","- C192 H96 O96 -","16","","","Li, Yan; Lampkins, Andrew J.; Baker, Matthew B.; Sumpter, Bobby G.; Huang, Jingsong; Abboud, Khalil A.; Castellano, Ronald K.","Benzotrifuranone: synthesis, structure, and access to polycyclic heteroaromatics.","Organic letters","2009","11","19","4314","4317","10.1021/ol901631n","","","0.71073","MoKα","","0.0511","0.0439","","","0.1007","0.1042","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504132","5.998","0.009","14.15","0.02","9.877","0.014","90","","92.99","0.03","90","","837","2","291","1","291","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 B2 F12 O4 -","- C18 B2 F12 O4 -","- C36 B4 F24 O8 -","2","0.5","","Ono, Katsuhiko; Hashizume, Junko; Yamaguchi, Hiroyuki; Tomura, Masaaki; Nishida, Jun-ichi; Yamashita, Yoshiro","Synthesis, crystal structure, and electron-accepting property of the BF2 complex of a dihydroxydione with a perfluorotetracene skeleton.","Organic letters","2009","11","19","4326","4329","10.1021/ol901633q","","","0.7107","MoKα","","0.3954","0.106","","","0.1764","0.2921","","","","","","0.75","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504133","6.2673","0.0001","25.0168","0.0005","8.7697","0.0002","90","","105.982","0.0009","90","","1321.84","0.05","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 N2 O3 S -","- C12 H16 N2 O3 S -","- C48 H64 N8 O12 S4 -","4","1","","Pelletier, Sophie M.-C.; Ray, Peter C.; Dixon, Darren J.","Nitro-Mannich/lactamization cascades for the direct stereoselective synthesis of pyrrolidin-2-ones.","Organic letters","2009","11","20","4512","4515","10.1021/ol901640v","","","0.71073","MoKα","","0.0652","0.039","","0.0884","0.0703","0.0884","","","","","","0.9578","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504134","6.2776","0.0001","8.4084","0.0002","12.6034","0.0003","90","","90","","90","","665.27","0.02","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 Cl O3 -","- C6 H7 Cl O3 -","- C24 H28 Cl4 O12 -","4","1","","Pinkerton, David M.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic access to versatile epoxyquinol synthons.","Organic letters","2009","11","19","4290","4293","10.1021/ol9016657","","","0.71073","MoKα","","0.0264","0.0244","","0.0514","0.0494","0.0514","","","","","","0.9564","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504135","6.4569","0.0002","8.5563","0.0003","12.5272","0.0004","90","","90","","90","","692.09","0.04","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 Br O3 -","- C6 H7 Br O3 -","- C24 H28 Br4 O12 -","4","1","","Pinkerton, David M.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic access to versatile epoxyquinol synthons.","Organic letters","2009","11","19","4290","4293","10.1021/ol9016657","","","0.71073","MoKα","","0.0238","0.0211","","0.0319","0.0309","0.0319","","","","","","1.0812","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504136","6.8869","0.0002","8.8262","0.0003","12.2911","0.0005","90","","90","","90","","747.12","0.05","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H7 I O3 -","- C6 H7 I O3 -","- C24 H28 I4 O12 -","4","1","","Pinkerton, David M.; Banwell, Martin G.; Willis, Anthony C.","Chemoenzymatic access to versatile epoxyquinol synthons.","Organic letters","2009","11","19","4290","4293","10.1021/ol9016657","","","0.71073","MoKα","","0.0236","0.0197","","0.0375","0.0356","0.0375","","","","","","0.9681","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504137","6.2109","0.0006","15.5608","0.0013","21.4507","0.0018","90","","90","","90","","2073.1","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H19 N O4 -","- C25 H25 N O4 -","- C100 H100 N4 O16 -","4","1","","Nibbs, Antoinette E.; Baize, Amanda-Lauren; Herter, Rachel M.; Scheidt, Karl A.","Catalytic asymmetric alkylation of substituted isoflavanones.","Organic letters","2009","11","17","4010","4013","10.1021/ol901676f","","","1.54178","CuKα","","0.1792","0.0568","","","0.0932","0.1198","","","","","","0.765","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504138","15.3551","0.0014","21.005","0.002","17.9066","0.0016","90","","92.464","0.004","90","","5770.1","0.9","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 Br N2 O6 S Si -","- C27 H27 Br N2 O6 S Si -","- C216 H216 Br8 N16 O48 S8 Si8 -","8","2","","Brawn, Ryan A.; Panek, James S.","Synthesis of enantioenriched homopropargylic sulfonamides by a three component reaction of aldehydes, sulfonamides, and chiral allenylsilanes.","Organic letters","2009","11","19","4362","4365","10.1021/ol901692n","","","1.54178","CuKα","","0.1562","0.0814","","","0.21","0.3271","","","","","","1.45","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504139","9.4002","0.0018","12.978","0.003","6.5114","0.0013","90","","98.955","0.002","90","","784.7","0.3","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Br2 -","- C20 H14 Br2 -","- C40 H28 Br4 -","2","0.5","","Isobe, Hiroyuki; Hitosugi, Shunpei; Matsuno, Taisuke; Iwamoto, Takeaki; Ichikawa, Junji","Concise synthesis of halogenated chrysenes ([4]phenacenes) that favor pi-stack packing in single crystals.","Organic letters","2009","11","17","4026","4028","10.1021/ol901693y","","","0.71073","MoKα","","0.0395","0.0257","","","0.061","0.0664","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504140","8.8964","0.0015","4.3883","0.0007","20.521","0.003","90","","91.043","0.002","90","","801","0.2","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 I2 -","- C20 H14 I2 -","- C40 H28 I4 -","2","0.5","","Isobe, Hiroyuki; Hitosugi, Shunpei; Matsuno, Taisuke; Iwamoto, Takeaki; Ichikawa, Junji","Concise synthesis of halogenated chrysenes ([4]phenacenes) that favor pi-stack packing in single crystals.","Organic letters","2009","11","17","4026","4028","10.1021/ol901693y","","","0.71073","MoKα","","0.0307","0.0273","","","0.056","0.0564","","","","","","2.272","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504141","9.0002","0.0015","12.78","0.002","6.5335","0.0011","90","","98.782","0.002","90","","742.7","0.2","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cl2 -","- C20 H14 Cl2 -","- C40 H28 Cl4 -","2","0.5","","Isobe, Hiroyuki; Hitosugi, Shunpei; Matsuno, Taisuke; Iwamoto, Takeaki; Ichikawa, Junji","Concise synthesis of halogenated chrysenes ([4]phenacenes) that favor pi-stack packing in single crystals.","Organic letters","2009","11","17","4026","4028","10.1021/ol901693y","","","0.71073","MoKα","","0.0295","0.0271","","","0.0751","0.0769","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504142","8.272","0.006","12.739","0.01","6.63","0.005","90","","100.662","0.01","90","","686.6","0.9","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 F2 -","- C20 H14 F2 -","- C40 H28 F4 -","2","0.5","","Isobe, Hiroyuki; Hitosugi, Shunpei; Matsuno, Taisuke; Iwamoto, Takeaki; Ichikawa, Junji","Concise synthesis of halogenated chrysenes ([4]phenacenes) that favor pi-stack packing in single crystals.","Organic letters","2009","11","17","4026","4028","10.1021/ol901693y","","","0.71073","MoKα","","0.1443","0.0668","","","0.1607","0.2046","","","","","","0.853","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504143","4.8281","0.0008","20.915","0.004","7.4401","0.0013","90","","90.051","0.002","90","","751.3","0.2","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Br2 -","- C20 H14 Br2 -","- C40 H28 Br4 -","2","0.5","","Isobe, Hiroyuki; Hitosugi, Shunpei; Matsuno, Taisuke; Iwamoto, Takeaki; Ichikawa, Junji","Concise synthesis of halogenated chrysenes ([4]phenacenes) that favor pi-stack packing in single crystals.","Organic letters","2009","11","17","4026","4028","10.1021/ol901693y","","","0.71073","MoKα","","0.0263","0.0229","","","0.0486","0.049","","","","","","2.678","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504144","7.9296","0.0011","11.5575","0.0016","14.399","0.002","90","","90","","90","","1319.6","0.3","100","","100","","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C20 H14 -","- C20 H16 -","- C80 H64 -","4","0.5","","Isobe, Hiroyuki; Hitosugi, Shunpei; Matsuno, Taisuke; Iwamoto, Takeaki; Ichikawa, Junji","Concise synthesis of halogenated chrysenes ([4]phenacenes) that favor pi-stack packing in single crystals.","Organic letters","2009","11","17","4026","4028","10.1021/ol901693y","","","0.71073","MoKα","","0.044","0.0391","","","0.1058","0.1094","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504145","10.432","0.0018","11.282","0.002","13.32","0.002","102.375","0.001","92.892","0.002","106.548","0.002","1457.4","0.4","223","2","223","2","","","","","","","","2","P -1","-P 1","2","","","","- C40 H40 -","- C40 H40 -","- C80 H80 -","2","1","","Isobe, Hiroyuki; Hitosugi, Shunpei; Matsuno, Taisuke; Iwamoto, Takeaki; Ichikawa, Junji","Concise synthesis of halogenated chrysenes ([4]phenacenes) that favor pi-stack packing in single crystals.","Organic letters","2009","11","17","4026","4028","10.1021/ol901693y","","","0.71073","MoKα","","0.0893","0.0582","","","0.0778","0.0799","","","","","","2.59","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504146","28.496","0.005","4.0216","0.0007","29.455","0.005","90","","110.436","0.002","90","","3163.1","0.9","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Br2 -","- C20 H14 Br2 -","- C160 H112 Br16 -","8","2","","Isobe, Hiroyuki; Hitosugi, Shunpei; Matsuno, Taisuke; Iwamoto, Takeaki; Ichikawa, Junji","Concise synthesis of halogenated chrysenes ([4]phenacenes) that favor pi-stack packing in single crystals.","Organic letters","2009","11","17","4026","4028","10.1021/ol901693y","","","0.71073","MoKα","","0.0833","0.0497","","","0.1235","0.1436","","","","","","0.877","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504147","14.725","0.01","16.2","0.011","6.768","0.005","90","","91.991","0.007","90","","1613","2","202","2","202","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H19 N O5 -","- C18 H19 N O5 -","- C72 H76 N4 O20 -","4","1","","Barabé, Francis; Bétournay, Geneviève; Bellavance, Gabriel; Barriault, Louis","Gold-catalyzed synthesis of carbon-bridged medium-sized rings.","Organic letters","2009","11","18","4236","4238","10.1021/ol901722q","","","0.71073","MoKα","","0.0635","0.0544","","","0.1214","0.1243","","","","","","1.293","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504148","10.5484","0.0005","8.7351","0.0004","10.6236","0.0006","90","","114.794","0.001","90","","888.64","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H18 Cl2 O -","- C22 H18 Cl2 O -","- C44 H36 Cl4 O2 -","2","1","","Ji, Yining; Riera, Antoni; Verdaguer, Xavier","Asymmetric intermolecular Pauson-Khand reaction of symmetrically substituted alkynes.","Organic letters","2009","11","19","4346","4349","10.1021/ol901728r","","","0.71073","MoKα","","0.0372","0.036","","","0.1039","0.1052","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504149","6.2068","0.0001","10.0735","0.0002","14.6424","0.0002","105.53","0.001","94.385","0.001","97.243","0.001","869.2","0.03","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H21 N5 O4 Se -","- C14 H21 N5 O4 Se -","- C28 H42 N10 O8 Se2 -","2","1","","Goswami, Shyamaprosad; Hazra, Anita; Chakrabarty, Rinku; Fun, Hoong-Kun","Recognition of carboxylate anions and carboxylic acids by selenium-based new chromogenic fluorescent sensor: a remarkable fluorescence enhancement of hindered carboxylates.","Organic letters","2009","11","19","4350","4353","10.1021/ol901737s","","","0.71073","MoKα","","0.0266","0.0217","","","0.0572","0.0596","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504150","28.99","0.002","28.99","0.002","10.1877","0.0007","90","","90","","120","","7414.9","0.9","143","1","143","1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C16 H26 N2 O4 -","- C16 H26 N2 O4 -","- C288 H468 N36 O72 -","18","1","","Chen, Peiling; Carroll, Patrick J.; Sieburth, Scott McN","3-4'-Bipiperidines via sequential [4 + 4]-[3,3]-retro-Mannich reactions.","Organic letters","2009","11","20","4540","4543","10.1021/ol901743p","","","0.71069","MoKα","","0.0432","0.0372","","","0.1008","0.1053","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504151","8.834","0.001","10.2781","0.0015","13.2981","0.0019","90.009","0.011","106.126","0.007","98.122","0.009","1147.3","0.3","143","1","143","1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H31 N2 O4 -","- C22 H36 N2 O5 -","- C44 H72 N4 O10 -","2","1","","Chen, Peiling; Carroll, Patrick J.; Sieburth, Scott McN","3-4'-Bipiperidines via sequential [4 + 4]-[3,3]-retro-Mannich reactions.","Organic letters","2009","11","20","4540","4543","10.1021/ol901743p","","","0.71069","MoKα","","0.0886","0.0459","","","0.0999","0.124","","","","","","0.984","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504152","10.3811","0.0013","11.0624","0.0015","11.7553","0.0014","109.649","0.002","93.374","0.001","115.456","0.002","1114.6","0.2","143","1","143","1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H38 N2 O7 -","- C21 H38 N2 O7 -","- C42 H76 N4 O14 -","2","1","","Chen, Peiling; Carroll, Patrick J.; Sieburth, Scott McN","3-4'-Bipiperidines via sequential [4 + 4]-[3,3]-retro-Mannich reactions.","Organic letters","2009","11","20","4540","4543","10.1021/ol901743p","","","0.71069","MoKα","","0.0541","0.0384","","","0.0983","0.1049","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504153","9.5831","0.0004","13.0254","0.0005","23.2091","0.0009","90","","96.634","0.001","90","","2877.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H25 Br N4 -","- C34 H25 Br N4 -","- C136 H100 Br4 N16 -","4","1","","Yeagley, Andrew A.; Lowder, Melissa A.; Chruma, Jason J.","Tandem C-C bond-forming processes: interception of the pd-catalyzed decarboxylative allylation of allyl diphenylglycinate imines with activated olefins.","Organic letters","2009","11","17","4022","4025","10.1021/ol901745x","","","0.71073","MoKα","","0.1878","0.0548","","","0.1226","0.1494","","","","","","0.694","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504154","14.2342","0.0008","16.3982","0.0011","23.0578","0.0015","106.176","0.002","91.373","0.002","106.571","0.002","4922.9","0.5","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C141 H88 F8 -","- C141 H88 F8 -","- C282 H176 F16 -","2","1","","Thirion, Damien; Poriel, Cyril; Barrière, Frédéric; Métivier, Rémi; Jeannin, Olivier; Rault-Berthelot, Joëlle","Tuning the optical properties of aryl-substituted dispirofluorene-indenofluorene isomers through intramolecular excimer formation.","Organic letters","2009","11","21","4794","4797","10.1021/ol901750x","","","0.71073","MoKα","","0.1193","0.0758","","","0.1698","0.2013","","","","","","1.082","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1504155","7.4427","0.0006","9.3482","0.0007","18.2369","0.0014","90","","95.639","0.004","90","","1262.71","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","2-p-Nitrophenylsulfanyl-benzothiazole","","","- C13 H8 N2 O2 S2 -","- C13 H8 N2 O2 S2 -","- C52 H32 N8 O8 S8 -","4","1","","Murru, Siva; Ghosh, Harisadhan; Sahoo, Santosh K.; Patel, Bhisma K.","Intra- and intermolecular C-S bond formation using a single catalytic system: first direct access to arylthiobenzothiazoles.","Organic letters","2009","11","19","4254","4257","10.1021/ol9017535","","","0.71073","MoKα","","0.0909","0.0711","","","0.1839","0.217","","","","","","1.192","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504156","11.33","0.004","10.825","0.004","21.832","0.008","90","","96.054","0.006","90","","2662.7","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ethyl 5-(2-(4-nitrophenyl)-2-oxoethyl)-2-phenyl-1-tosyl-2,5-dihydro-1H-pyrrole -3-carboxylate","","- C28 H26 N2 O7 S -","- C28 H26 N2 O7 S -","- C112 H104 N8 O28 S4 -","4","1","","Schuler, Marie; Duvvuru, Deepti; Retailleau, Pascal; Betzer, Jean-François; Marinetti, Angela","New access to trisubstituted 3-pyrrolines under phosphine catalysis.","Organic letters","2009","11","19","4406","4409","10.1021/ol901758k","","","0.71069","MoKα","","0.0908","0.0766","","","0.1899","0.2114","","","","","","1.241","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504157","18.028","0.005","8.953","0.003","19.479","0.005","90","","98.94","0.03","90","","3105.8","1.6","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H43 Br O5 -","- C33 H43 Br O5 -","- C132 H172 Br4 O20 -","4","1","","Couladouros, Elias A.; Dakanali, Marianna; Demadis, Konstantinos D.; Vidali, Veroniki P.","A short biomimetic approach to the fully functionalized bicyclic framework of type A acylphloroglucinols.","Organic letters","2009","11","19","4430","4433","10.1021/ol901781n","","","0.71073","MoKα","","0.2414","0.068","","","0.1486","0.2125","","","","","","0.876","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504158","10.4708","0.0005","19.8848","0.0009","10.7309","0.0005","90","","116.395","0.003","90","","2001.36","0.17","120","2","120","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C34 H56 N12 O17 -","- C34 H34 N12 O17 -","- C68 H68 N24 O34 -","2","0.5","","Stancl, Marek; Hodan, Martin; Sindelar, Vladimir","Glycoluril trimers: selective synthesis and supramolecular properties.","Organic letters","2009","11","18","4184","4187","10.1021/ol9017886","","","0.71073","MoKα","","0.1216","0.0796","","","0.2304","0.2659","","","","","","1.066","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504159","15.4095","0.0002","13.0685","0.0003","25.1488","0.0004","90","","94.613","0.001","90","","5048.04","0.16","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H59 I2 N14 O11.5 -","- C46 H48 I2 N14 O11.5 -","- C184 H192 I8 N56 O46 -","4","1","","Stancl, Marek; Hodan, Martin; Sindelar, Vladimir","Glycoluril trimers: selective synthesis and supramolecular properties.","Organic letters","2009","11","18","4184","4187","10.1021/ol9017886","","","0.71073","MoKα","","0.0588","0.038","","","0.112","0.1314","","","","","","1.121","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1504160","14.5007","0.0015","13.3573","0.0006","27.3613","0.0012","90","","93.266","0.007","90","","5291","0.6","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H60 I2 N14 O13 -","- C46 H60 I2 N14 O13 -","- C184 H240 I8 N56 O52 -","4","1","","Stancl, Marek; Hodan, Martin; Sindelar, Vladimir","Glycoluril trimers: selective synthesis and supramolecular properties.","Organic letters","2009","11","18","4184","4187","10.1021/ol9017886","","","0.71073","MoKα","","0.0606","0.0345","","","0.0846","0.1018","","","","","","1.093","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504161","13.0994","0.0002","14.8054","0.0004","24.1661","0.0005","90","","92.029","0.002","90","","4683.88","0.17","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H58 I N13 O14 -","- C41 H42 I1.0005 N13 O14.008 -","- C164 H168 I4.002 N52 O56.032 -","4","1","","Stancl, Marek; Hodan, Martin; Sindelar, Vladimir","Glycoluril trimers: selective synthesis and supramolecular properties.","Organic letters","2009","11","18","4184","4187","10.1021/ol9017886","","","0.71073","MoKα","","0.0684","0.0434","","","0.1214","0.1501","","","","","","1.161","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504162","9.4511","0.0002","13.8492","0.0004","21.2892","0.0005","90","","99.131","0.002","90","","2751.24","0.12","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 N12 O10 -","- C24 H38 N12 O10 -","- C96 H152 N48 O40 -","4","1","","Stancl, Marek; Hodan, Martin; Sindelar, Vladimir","Glycoluril trimers: selective synthesis and supramolecular properties.","Organic letters","2009","11","18","4184","4187","10.1021/ol9017886","","","0.71073","MoKα","","0.0545","0.0414","","","0.1099","0.1197","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504163","5.7231","0.0001","12.9531","0.0002","20.0245","0.0003","90","","90","","90","","1484.45","0.04","90","1","90","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 Br O2 -","- C18 H15 Br O2 -","- C72 H60 Br4 O8 -","4","1","","Gregg, Timothy M.; Farrugia, Mark K.; Frost, John R.","Rhodium-mediated enantioselective cyclopropanation of allenes.","Organic letters","2009","11","19","4434","4436","10.1021/ol9017968","","x-ray","0.71073","MoKα","","0.0153","0.0147","","","0.0391","0.0392","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1504164","13.2356","0.0014","12.1782","0.0014","26.593","0.003","90","","102.202","0.002","90","","4189.6","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H40 N4 O5.5 -","- C45 H40 N4 O5.5 -","- C180 H160 N16 O22 -","4","1","","Zhou, Ying; Wang, Fang; Kim, Youngmee; Kim, Sung-Jin; Yoon, Juyoung","Cu2±selective ratiometric and ""off-on"" sensor based on the rhodamine derivative bearing pyrene group.","Organic letters","2009","11","19","4442","4445","10.1021/ol901804n","","","0.71073","MoKα","","0.2465","0.082","","","0.1958","0.222","","","","","","0.836","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504165","9.668","0.0019","9.511","0.0019","19.728","0.004","90","","90.66","0.03","90","","1813.9","0.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 N2 O2 -","- C24 N2 O2 -","- C96 N8 O8 -","4","1","","Zhou, Ying; Wang, Fang; Kim, Youngmee; Kim, Sung-Jin; Yoon, Juyoung","Cu2±selective ratiometric and ""off-on"" sensor based on the rhodamine derivative bearing pyrene group.","Organic letters","2009","11","19","4442","4445","10.1021/ol901804n","","","0.71073","MoKα","","0.2434","0.1477","","","0.3701","0.4226","","","","","","1.171","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504166","16","0.003","24.7","0.005","24.3","0.005","90","","103.4","0.03","90","","9342","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C392 H360 F48 N8 O48 P8 -","- C384 H320 F36 N8 O46 P6 -","- C384 H320 F36 N8 O46 P6 -","1","0.25","","Cao, Jing; Lu, Hai-Yan; You, Xiao-Jun; Zheng, Qi-Yu; Chen, Chuan-Feng","Complexation of a pentiptycene-based tweezer-like receptor with paraquat derivatives: ion-controlled binding and release of the guests.","Organic letters","2009","11","19","4446","4449","10.1021/ol901805y","","","0.71073","MoKα","","0.1706","0.1456","","","0.3937","0.4149","","","","","","1.521","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504167","8.9001","0.0004","11.3943","0.0005","14.9742","0.0007","90","","91.902","0.001","90","","1517.7","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N4 S -","- C20 H14 N4 S -","- C80 H56 N16 S4 -","4","1","","Balaji, Ganapathy; Shim, Wong Low; Parameswaran, Manoj; Valiyaveettil, Suresh","Thiadiazole fused indolo[2,3-a]carbazole based oligomers and polymer.","Organic letters","2009","11","19","4450","4453","10.1021/ol901806q","","","0.71073","MoKα","","0.0382","0.0368","","","0.0962","0.0972","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504168","11.784","0.002","15.222","0.003","20.955","0.004","100.82","0.03","102.15","0.03","90.23","0.03","3605.6","1.3","173","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H40 O6 S4 -","- C39 H40 O6 S4 -","- C156 H160 O24 S16 -","4","2","","Kundrat, Ondrej; Dvorakova, Hana; Cisarova, Ivana; Pojarova, Michaela; Lhotak, Pavel","Unusual intramolecular bridging reaction in thiacalix[4]arene series.","Organic letters","2009","11","18","4188","4191","10.1021/ol901812m","","","0.7107","MoKα","","0.1166","0.0749","","","0.1943","0.2185","","","","","","1.156","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504169","9.7384","0.0009","12.008","0.0012","19.3474","0.0018","90","","94.943","0.002","90","","2254","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N3 O3 -","- C25 H27 N3 O3 -","- C100 H108 N12 O12 -","4","1","","Jiang, Gaoxi; Chen, Jian; Huang, Jie-Sheng; Che, Chi-Ming","Highly efficient oxidation of amines to imines by singlet oxygen and its application in Ugi-type reactions.","Organic letters","2009","11","20","4568","4571","10.1021/ol9018166","","","0.71073","MoKα","","0.086","0.063","","","0.1515","0.1639","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504170","13.777","0.004","6.552","0.002","16.81","0.005","90","","108.452","0.005","90","","1439.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 O S -","- C16 H22 O S -","- C64 H88 O4 S4 -","4","1","","Liu, Taoping; Zhao, Xiaoming; Lu, Long; Cohen, Theodore","Readily prepared 3-chloro-1-(phenylthio)propene, a versatile three-carbon annulating agent.","Organic letters","2009","11","20","4576","4579","10.1021/ol901818j","","","0.71073","MoKα","","0.1188","0.0583","","","0.1197","0.1373","","","","","","0.862","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504171","9.2519","0.0009","16.7091","0.0016","20.816","0.002","90","","90","","90","","3218","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H24 O S -","- C18 H24 O S -","- C144 H192 O8 S8 -","8","1","","Liu, Taoping; Zhao, Xiaoming; Lu, Long; Cohen, Theodore","Readily prepared 3-chloro-1-(phenylthio)propene, a versatile three-carbon annulating agent.","Organic letters","2009","11","20","4576","4579","10.1021/ol901818j","","","0.71073","MoKα","","0.082","0.0409","","","0.0797","0.0883","","","","","","0.833","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504172","10.6","0.002","14.995","0.003","8.7526","0.0018","90","","90","","90","","1391.2","0.5","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C13 H20 N2 Si -","- C13 H19 N2 Si -","- C52 H76 N8 Si4 -","4","1","","Zhang, Hui-Jun; Meng, Tianhao; Demerseman, Bernard; Bruneau, Christian; Xi, Zhenfeng","Hydride-induced novel cyclization of dienedinitriles leading to multifunctionalized cyclopentadienes.","Organic letters","2009","11","19","4458","4461","10.1021/ol901840c","","","0.71073","MoKα","","0.1428","0.0752","","","0.1755","0.1954","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504173","12.696","0.003","14.502","0.003","15.33","0.003","74.95","0.03","71.74","0.03","79.67","0.03","2573.6","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 N4 O2 Si -","- C27 H30 N4 O2 Si -","- C108 H120 N16 O8 Si4 -","4","2","","Zhang, Hui-Jun; Meng, Tianhao; Demerseman, Bernard; Bruneau, Christian; Xi, Zhenfeng","Hydride-induced novel cyclization of dienedinitriles leading to multifunctionalized cyclopentadienes.","Organic letters","2009","11","19","4458","4461","10.1021/ol901840c","","","0.71073","MoKα","","0.0942","0.076","","","0.1642","0.1746","","","","","","1.199","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504174","10.299","0.002","12.584","0.003","12.776","0.003","82.36","0.03","88.14","0.03","72.95","0.03","1568.9","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H29 Br3 N6 O4 -","- C31 H29 Br3 N6 O4 -","- C62 H58 Br6 N12 O8 -","2","1","","Zhang, Hui-Jun; Meng, Tianhao; Demerseman, Bernard; Bruneau, Christian; Xi, Zhenfeng","Hydride-induced novel cyclization of dienedinitriles leading to multifunctionalized cyclopentadienes.","Organic letters","2009","11","19","4458","4461","10.1021/ol901840c","","","0.71073","MoKα","","0.0672","0.0551","","","0.1062","0.1118","","","","","","1.144","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504175","19.1274","0.0004","13.9545","0.0003","19.5256","0.0004","90","","108.304","0.0007","90","","4947.96","0.18","153","2","153","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C84 H27 Cl2 N O Si -","- C84 H27 Cl2 N O Si -","- C336 H108 Cl8 N4 O4 Si4 -","4","1","","Matsuo, Keiko; Matsuo, Yutaka; Iwashita, Akihiko; Nakamura, Eiichi","Synthesis of imino[60]fullerenes using nitriles and trimethylsilylmethyl triflate.","Organic letters","2009","11","18","4192","4194","10.1021/ol901851g","","x-ray","1.5418","CuKα","","0.1666","0.1302","","","0.3711","0.4123","","","","","","1.387","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504176","8.816","0.0001","13.762","0.0002","31.213","0.0005","90","","94.584","0.001","90","","3774.83","0.09","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N2 O2 -","- C22 H26 N2 O2 -","- C176 H208 N16 O16 -","8","2","","Grant, Christopher D.; Krische, Michael J.","Protecting-group-free synthesis of 3-tert-prenylated oxindoles: contiguous all-carbon quaternary centers via tertiary neopentyl substitution.","Organic letters","2009","11","20","4485","4487","10.1021/ol9018562","","","0.71074","MoKα","","0.0953","0.058","","","0.1225","0.1426","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504177","5.7776","0.0007","16.337","0.002","20.021","0.003","90","","90","","90","","1889.8","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","09105a","","","- C22 H19 N O5 -","- C22 H19 N O5 -","- C88 H76 N4 O20 -","4","1","","Li, Hongyan; Hsung, Richard P.","Highly substituted 2-amido-furans from Rh(II)-catalyzed cyclopropenations of ynamides.","Organic letters","2009","11","19","4462","4465","10.1021/ol901860b","","","0.71073","MoKα","","0.0547","0.0346","","","0.0766","0.0872","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504178","14.3156","0.0007","15.2385","0.0008","21.0682","0.0011","86.801","0.003","82.424","0.003","66.377","0.003","4174.1","0.4","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H95 F12 N7 O16 P2 -","- C79 H95 F12 N7 O16 P2 -","- C158 H190 F24 N14 O32 P4 -","2","1","","Yen, Ming-Liang; Chen, Nai-Chia; Lai, Chien-Chen; Liu, Yi-Hung; Peng, Shie-Ming; Chiu, Sheng-Hsien","A molecular cage that selectively complexes three different guests in solution.","Organic letters","2009","11","20","4604","4607","10.1021/ol901873m","","","0.71073","MoKα","","0.2792","0.1193","","","0.2629","0.3252","","","","","","1.39","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504179","9.6706","0.0004","11.7736","0.0005","12.4516","0.0005","80.677","0.002","81.72","0.002","81.309","0.002","1372.5","0.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 Cl Cu0.5 N9 O2 -","- C28 H27 Cl Cu0.5 N9 O2 -","- C56 H54 Cl2 Cu N18 O4 -","2","1","","Ozçubukçu, Salih; Ozkal, Erhan; Jimeno, Ciril; Pericàs, Miquel A","A highly active catalyst for Huisgen 1,3-dipolar cycloadditions based on the tris(triazolyl)methanol-Cu(I) structure.","Organic letters","2009","11","20","4680","4683","10.1021/ol9018776","","","0.71073","MoKα","","0.0552","0.0416","","","0.1119","0.1202","","","","","","1.055","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504180","6.547","0.002","10.892","0.003","12.418","0.004","90","","103.542","0.004","90","","860.9","0.5","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O8 -","- C20 H20 O8 -","- C40 H40 O16 -","2","1","","Geng, Chang-An; Zhang, Xue-Mei; Shen, Yong; Zuo, Ai-Xue; Liu, Ji-Feng; Ma, Yun-Bao; Luo, Jie; Zhou, Jun; Jiang, Zhi-yong; Chen, Ji-Jun","Swerilactones C and D, anti-HBV new lactones from a traditional Chinese herb: Swertia mileensis.","Organic letters","2009","11","21","4838","4841","10.1021/ol901881w","","","0.71073","MoKα","","0.1794","0.0681","","","0.1487","0.2244","","","","","","0.9","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504181","8.6844","0.0014","14.094","0.002","17","0.003","73.293","0.002","87.688","0.002","72.958","0.002","1903.2","0.5","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 O9 -","- C20 H22 O9 -","- C80 H88 O36 -","4","2","","Geng, Chang-An; Zhang, Xue-Mei; Shen, Yong; Zuo, Ai-Xue; Liu, Ji-Feng; Ma, Yun-Bao; Luo, Jie; Zhou, Jun; Jiang, Zhi-yong; Chen, Ji-Jun","Swerilactones C and D, anti-HBV new lactones from a traditional Chinese herb: Swertia mileensis.","Organic letters","2009","11","21","4838","4841","10.1021/ol901881w","","","0.71073","MoKα","","0.1846","0.0746","","","0.1847","0.2441","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504182","9.268","0.003","13.934","0.005","19.073","0.006","90","","90","","90","","2463.1","1.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H36 Cl N2 O7 -","- C24 H36 Cl N2 O7 -","- C96 H144 Cl4 N8 O28 -","4","1","","Feng, Tao; Cai, Xiang-Hai; Li, Yan; Wang, Yuan-Yuan; Liu, Ya-Ping; Xie, Ming-Jin; Luo, Xiao-Dong","Melohenines A and B, two unprecedented alkaloids from Melodinus henryi","Organic Letters","2009","11","21","4834","4837","10.1021/ol9018826","","","0.71073","MoKα","","0.2274","0.0817","","","0.1638","0.2339","","","","","","0.973","","","","has coordinates","218689","2020-10-21","18:00:00",""
"1504183","7.9717","0.0012","12.2181","0.0018","17.265","0.003","90","","90","","90","","1681.6","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 N2 O3 -","- C19 H24 N2 O3 -","- C76 H96 N8 O12 -","4","1","","Feng, Tao; Cai, Xiang-Hai; Li, Yan; Wang, Yuan-Yuan; Liu, Ya-Ping; Xie, Ming-Jin; Luo, Xiao-Dong","Melohenines A and B, two unprecedented alkaloids from Melodinus henryi","Organic Letters","2009","11","21","4834","4837","10.1021/ol9018826","","","0.71073","MoKα","","0.09","0.0489","","","0.1207","0.1529","","","","","","0.75","","","","has coordinates","218689","2020-10-21","18:00:00",""
"1504184","19.1116","0.0004","4.165","0.0001","16.2443","0.0005","90","","111.391","0.002","90","","1203.97","0.06","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C60 H44 N12 O8 -","4","1","","Board, Johnathan; Wang, Jian-Xin; Crew, Andrew P.; Jin, Meizhong; Foreman, Kenneth; Mulvihill, Mark J.; Snieckus, Victor","Synthesis of substituted imidazo[1,5-a]pyrazines via mono-, di-, and directed remote metalation strategies.","Organic letters","2009","11","22","5118","5121","10.1021/ol901889e","","","0.71073","MoKα","","0.0414","0.0338","","","0.0831","0.0886","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504185","18.1933","0.0005","7.711","0.0002","12.4502","0.0003","90","","129.39","0.001","90","","1349.87","0.06","150","","150","","","","","","","","Synthesized by the authors. See text","3","C 1 2 1","C 2y","5","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Hanessian, Stephen; Boyer, Nicolas; Reddy, Gone Jayapal; Deschênes-Simard, Benoît","Total synthesis of oidiodendrolides and related norditerpene dilactones from a common precursor: metabolites CJ-14,445, LL-Z1271gamma, oidiolactones A, B, C, and D, and nagilactone F.","Organic letters","2009","11","20","4640","4643","10.1021/ol901896c","","","1.54178","CuKα","","0.0334","0.0325","","","0.0812","0.0819","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504186","7.8053","0.0004","9.4883","0.0005","18.9039","0.0009","90","","90","","90","","1400","0.12","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O5 -","- C16 H18 O5 -","- C64 H72 O20 -","4","1","","Hanessian, Stephen; Boyer, Nicolas; Reddy, Gone Jayapal; Deschênes-Simard, Benoît","Total synthesis of oidiodendrolides and related norditerpene dilactones from a common precursor: metabolites CJ-14,445, LL-Z1271gamma, oidiolactones A, B, C, and D, and nagilactone F.","Organic letters","2009","11","20","4640","4643","10.1021/ol901896c","","","1.54178","CuKα","","0.0496","0.0417","","","0.1019","0.1066","","","","","","1.037","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504187","18.1525","0.0004","7.6684","0.0002","12.0226","0.0002","90","","101.178","0.001","90","","1641.81","0.06","150","","150","","","","","","","","Synthesized by the authors. See text","3","C 1 2 1","C 2y","5","","","","- C17 H20 O5 -","- C17 H20 O5 -","- C68 H80 O20 -","4","1","","Hanessian, Stephen; Boyer, Nicolas; Reddy, Gone Jayapal; Deschênes-Simard, Benoît","Total synthesis of oidiodendrolides and related norditerpene dilactones from a common precursor: metabolites CJ-14,445, LL-Z1271gamma, oidiolactones A, B, C, and D, and nagilactone F.","Organic letters","2009","11","20","4640","4643","10.1021/ol901896c","","","1.54178","CuKα","","0.0471","0.0463","","","0.117","0.1179","","","","","","1.076","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504188","9.597","0.0005","9.9935","0.0005","14.1873","0.0008","90","","90","","90","","1360.67","0.12","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O5 -","- C16 H18 O5 -","- C64 H72 O20 -","4","1","","Hanessian, Stephen; Boyer, Nicolas; Reddy, Gone Jayapal; Deschênes-Simard, Benoît","Total synthesis of oidiodendrolides and related norditerpene dilactones from a common precursor: metabolites CJ-14,445, LL-Z1271gamma, oidiolactones A, B, C, and D, and nagilactone F.","Organic letters","2009","11","20","4640","4643","10.1021/ol901896c","","","1.54178","CuKα","","0.0549","0.0379","","","0.0784","0.084","","","","","","0.928","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504189","7.7249","0.0001","9.6338","0.0002","22.5067","0.0004","90","","90","","90","","1674.95","0.05","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C76 H96 O16 -","4","1","","Hanessian, Stephen; Boyer, Nicolas; Reddy, Gone Jayapal; Deschênes-Simard, Benoît","Total synthesis of oidiodendrolides and related norditerpene dilactones from a common precursor: metabolites CJ-14,445, LL-Z1271gamma, oidiolactones A, B, C, and D, and nagilactone F.","Organic letters","2009","11","20","4640","4643","10.1021/ol901896c","","","1.54178","CuKα","","0.0369","0.0333","","","0.0854","0.0881","","","","","","1.038","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504190","7.7635","0.0001","9.7864","0.0002","21.0195","0.0004","90","","90","","90","","1596.99","0.05","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C76 H88 O16 -","4","1","","Hanessian, Stephen; Boyer, Nicolas; Reddy, Gone Jayapal; Deschênes-Simard, Benoît","Total synthesis of oidiodendrolides and related norditerpene dilactones from a common precursor: metabolites CJ-14,445, LL-Z1271gamma, oidiolactones A, B, C, and D, and nagilactone F.","Organic letters","2009","11","20","4640","4643","10.1021/ol901896c","","","1.54178","CuKα","","0.033","0.0318","","","0.0818","0.0829","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504191","6.1894","0.0001","8.9465","0.0002","28.8255","0.0005","90","","90","","90","","1596.17","0.05","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C68 H80 O24 -","4","1","","Hanessian, Stephen; Boyer, Nicolas; Reddy, Gone Jayapal; Deschênes-Simard, Benoît","Total synthesis of oidiodendrolides and related norditerpene dilactones from a common precursor: metabolites CJ-14,445, LL-Z1271gamma, oidiolactones A, B, C, and D, and nagilactone F.","Organic letters","2009","11","20","4640","4643","10.1021/ol901896c","","","1.54178","CuKα","","0.037","0.0359","","","0.093","0.094","","","","","","1.066","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504192","8.2864","0.0002","10.0771","0.0002","17.1744","0.0003","90","","90","","90","","1434.11","0.05","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 O6 -","- C16 H18 O6 -","- C64 H72 O24 -","4","1","","Hanessian, Stephen; Boyer, Nicolas; Reddy, Gone Jayapal; Deschênes-Simard, Benoît","Total synthesis of oidiodendrolides and related norditerpene dilactones from a common precursor: metabolites CJ-14,445, LL-Z1271gamma, oidiolactones A, B, C, and D, and nagilactone F.","Organic letters","2009","11","20","4640","4643","10.1021/ol901896c","","","1.54178","CuKα","","0.0373","0.037","","","0.0903","0.0907","","","","","","1.091","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504193","11.0321","0.0002","11.6526","0.0003","11.9913","0.0004","90","","90","","90","","1541.51","0.07","175","","175","","","","","","","","Synthesized by the authors. See text","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C68 H80 O24 -","4","1","","Hanessian, Stephen; Boyer, Nicolas; Reddy, Gone Jayapal; Deschênes-Simard, Benoît","Total synthesis of oidiodendrolides and related norditerpene dilactones from a common precursor: metabolites CJ-14,445, LL-Z1271gamma, oidiolactones A, B, C, and D, and nagilactone F.","Organic letters","2009","11","20","4640","4643","10.1021/ol901896c","","","1.54178","CuKα","","0.0381","0.036","","","0.0945","0.0965","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504194","8.8984","0.0006","9.621","0.0004","16.7771","0.001","89.599","0.004","85.959","0.003","85.973","0.004","1429.2","0.14","294","2","294","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","2","","Hampel, Thomas; Brückner, Reinhard","A novel cis-selective cyclohexanone annulation as the key step of a total synthesis of the sesquiterpene isoacanthodoral.","Organic letters","2009","11","21","4842","4845","10.1021/ol9018979","","","0.71073","MoKα","","0.1097","0.0505","","","0.1171","0.1428","","","","","","0.994","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504195","18.964","0.005","13.633","0.003","29.823","0.006","90","","92.316","0.016","90","","7704","3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 F3 O9 S -","- C18 H13 F3 O9 S -","- C288 H208 F48 O144 S16 -","16","4","","Cui, Yi; Jiang, Hao; Li, Zhengtao; Wu, Na; Yang, Zhen; Quan, Junmin","Unexpected regioselectivity in the synthesis of pyranonaphthoquinone via the Diels-Alder reaction.","Organic letters","2009","11","20","4628","4631","10.1021/ol901902v","","","0.71073","MoKα","","0.2491","0.0895","","","0.1604","0.2147","","","","","","1.211","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504196","7.6288","0.001","5.445","0.0008","11.5547","0.0014","90","","91.844","0.01","90","","479.72","0.11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H12 O3 S -","- C9 H12 O3 S -","- C18 H24 O6 S2 -","2","1","","Majer, Jakub; Kwiatkowski, Piotr; Jurczak, Janusz","Highly enantioselective Friedel-Crafts reaction of thiophenes with glyoxylates: formal synthesis of duloxetine.","Organic letters","2009","11","20","4636","4639","10.1021/ol901906r","","","0.71073","MoKα","","0.0175","0.0173","","","0.048","0.0481","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504197","9.355","0.001","11.918","0.001","17.31","0.002","90","","90","","90","","1929.9","0.3","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(2S,3aR,7S,7aS)-Di-tert.butyl-7-hydroxy-4-oxo-2,3,3a,4-tetrahydro-1-H- indo-1,2(7H,7aH)-dicarboxylat","","- C18 H27 N O6 -","- C18 H27 N O6 -","- C72 H108 N4 O24 -","4","1","","Gross, Ulrike; Nieger, Martin; Bräse, Stefan","Stereoselective synthesis of the epicoccin core.","Organic letters","2009","11","20","4740","4742","10.1021/ol901919c","","","0.71073","MoKα","","0.0453","0.0382","","","0.0866","0.0905","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504198","7.715","0.003","15.086","0.005","9.295","0.003","90","","96.54","0.03","90","","1074.8","0.7","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N O7 -","- C22 H27 N O7 -","- C44 H54 N2 O14 -","2","1","","Balthaser, Bradley R.; McDonald, Frank E.","Brønsted acid-promoted glycosylations of disaccharide glycal substructures of the saccharomicins.","Organic letters","2009","11","21","4850","4853","10.1021/ol901923x","","","1.54178","CuKα","","0.0403","0.0352","","","0.0877","0.0926","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504199","13.2879","0.0005","9.2997","0.0004","17.411","0.0007","90","","100.194","0.002","90","","2117.57","0.15","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N O7 -","- C22 H27 N O7 -","- C88 H108 N4 O28 -","4","2","","Balthaser, Bradley R.; McDonald, Frank E.","Brønsted acid-promoted glycosylations of disaccharide glycal substructures of the saccharomicins.","Organic letters","2009","11","21","4850","4853","10.1021/ol901923x","","","1.54178","CuKα","","0.0483","0.0481","","","0.1147","0.1152","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504200","8.1737","0.0007","10.9997","0.0008","29.222","0.002","90","","90","","90","","2627.3","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H35 N O11 -","- C22 H35 N O11 -","- C88 H140 N4 O44 -","4","1","","Balthaser, Bradley R.; McDonald, Frank E.","Brønsted acid-promoted glycosylations of disaccharide glycal substructures of the saccharomicins.","Organic letters","2009","11","21","4850","4853","10.1021/ol901923x","","","1.54178","CuKα","","0.0515","0.0404","","","0.0995","0.1071","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504201","25.9973","0.0004","12.3802","0.0002","13.8796","0.0002","90","","93.724","0.001","90","","4457.74","0.12","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C28.5 H31 Cl -","- C28.5 H31 Cl -","- C228 H248 Cl8 -","8","1","","Modjewski, Matthew; Lindeman, Sergey V.; Rathore, Rajendra","A versatile preparation of Geländer-type p-terphenyls from a readily available diacetylenic precursor.","Organic letters","2009","11","20","4656","4659","10.1021/ol901938f","","","1.54178","CuKα","","0.0427","0.0397","","","0.1076","0.1101","","","","","","1.013","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1504202","11.075","0.003","14.841","0.003","15.693","0.004","118.089","0.011","91.405","0.014","92.655","0.012","2270","1","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C30 H34 -","- C30 H34 -","- C120 H136 -","4","2","","Modjewski, Matthew; Lindeman, Sergey V.; Rathore, Rajendra","A versatile preparation of Geländer-type p-terphenyls from a readily available diacetylenic precursor.","Organic letters","2009","11","20","4656","4659","10.1021/ol901938f","","","1.54178","CuKα","","0.127","0.0993","","","0.2565","0.2693","","","","","","1.846","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504203","10.6975","0.0006","10.0435","0.0006","10.8065","0.0006","90","","101.43","0.003","90","","1138.03","0.11","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 O2 -","- C30 H34 O2 -","- C60 H68 O4 -","2","0.5","","Modjewski, Matthew; Lindeman, Sergey V.; Rathore, Rajendra","A versatile preparation of Geländer-type p-terphenyls from a readily available diacetylenic precursor.","Organic letters","2009","11","20","4656","4659","10.1021/ol901938f","","","1.54178","CuKα","","0.044","0.0367","","","0.0961","0.1005","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504204","14.0575","0.0003","10.3006","0.0002","8.0732","0.0002","90","","99.533","0.001","90","","1152.86","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 O2 -","- C30 H34 O2 -","- C60 H68 O4 -","2","0.5","","Modjewski, Matthew; Lindeman, Sergey V.; Rathore, Rajendra","A versatile preparation of Geländer-type p-terphenyls from a readily available diacetylenic precursor.","Organic letters","2009","11","20","4656","4659","10.1021/ol901938f","","","1.54178","CuKα","","0.0368","0.0358","","","0.0921","0.0928","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504205","21.0561","0.0003","21.0561","0.0003","14.3941","0.0002","90","","90","","120","","5526.77","0.14","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C30 H34 O2.96 -","- C30 H34 O2.954 -","- C270 H306 O26.586 -","9","0.5","","Modjewski, Matthew; Lindeman, Sergey V.; Rathore, Rajendra","A versatile preparation of Geländer-type p-terphenyls from a readily available diacetylenic precursor.","Organic letters","2009","11","20","4656","4659","10.1021/ol901938f","","","1.54178","CuKα","","0.045","0.0433","","","0.1127","0.1139","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504206","9.6612","0.0004","6.9042","0.0003","19.3657","0.0009","90","","94.574","0.003","90","","1287.63","0.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H38 O4 -","- C32 H38 O4 -","- C64 H76 O8 -","2","0.5","","Modjewski, Matthew; Lindeman, Sergey V.; Rathore, Rajendra","A versatile preparation of Geländer-type p-terphenyls from a readily available diacetylenic precursor.","Organic letters","2009","11","20","4656","4659","10.1021/ol901938f","","","1.54178","CuKα","","0.048","0.0442","","","0.1215","0.1253","","","","","","1.033","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504207","21.8162","0.0014","9.4664","0.0006","8.9027","0.0006","90","","90.648","0.004","90","","1838.5","0.2","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C48 H54 -","- C48 H54 -","- C96 H108 -","2","0.5","","Modjewski, Matthew; Lindeman, Sergey V.; Rathore, Rajendra","A versatile preparation of Geländer-type p-terphenyls from a readily available diacetylenic precursor.","Organic letters","2009","11","20","4656","4659","10.1021/ol901938f","","","1.54178","CuKα","","0.0996","0.069","","","0.1722","0.1935","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504208","11.9837","0.0002","36.2583","0.0005","18.6597","0.0003","90","","95.013","0.001","90","","8076.8","0.2","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C66 H86 -","- C66 H86 -","- C396 H516 -","6","1.5","","Modjewski, Matthew; Lindeman, Sergey V.; Rathore, Rajendra","A versatile preparation of Geländer-type p-terphenyls from a readily available diacetylenic precursor.","Organic letters","2009","11","20","4656","4659","10.1021/ol901938f","","","1.54178","CuKα","","0.0465","0.0421","","","0.1054","0.1089","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504209","12.5705","0.0002","9.6243","0.0001","15.996","0.0002","90","","106.347","0.001","90","","1857","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 Cl4 O4 -","- C40 H50 Cl4 O4 -","- C80 H100 Cl8 O8 -","2","0.5","","Modjewski, Matthew; Lindeman, Sergey V.; Rathore, Rajendra","A versatile preparation of Geländer-type p-terphenyls from a readily available diacetylenic precursor.","Organic letters","2009","11","20","4656","4659","10.1021/ol901938f","","","1.54178","CuKα","","0.0312","0.0304","","","0.0815","0.0821","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504210","10.185","0.003","8.74","0.003","12.189","0.004","90","","112.29","0.004","90","","1003.9","0.6","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H22 Cl N O3 -","- C23 H22 Cl N O3 -","- C46 H44 Cl2 N2 O6 -","2","1","","Han, Bo; Xiao, You-Cai; He, Zhao-Quan; Chen, Ying-Chun","Asymmetric Michael addition of gamma,gamma-disubstituted alpha,beta-unsaturated aldehydes to nitroolefins via dienamine catalysis.","Organic letters","2009","11","20","4660","4663","10.1021/ol901939b","","","0.71073","MoKα","","0.0446","0.0336","","","0.07","0.0855","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504211","6.0584","0.0011","19.717","0.004","8.9513","0.0016","90","","98.257","0.004","90","","1058.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","7-nitro-2, 3-dihydro-1H-cyclopenta[b]chromen-1-one","7-nitro-2, 3-dihydro-1H-cyclopenta[b]chromen-1-one","","- C12 H9 N O4 -","- C12 H9 N O4 -","- C48 H36 N4 O16 -","4","1","","Huo, Fang-Jun; Sun, Yuan-Qiang; Su, Jing; Chao, Jian-Bin; Zhi, Hai-Juan; Yin, Cai-Xia","Colorimetric detection of thiols using a chromene molecule","Organic letters","2009","11","21","4918","4921","10.1021/ol901951h","","","0.71073","MoKα","","0.0946","0.0524","","","0.1081","0.1247","","","","","","0.978","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504212","12.7974","0.0017","7.6261","0.001","17.351","0.002","90","","105.01","0.003","90","","1635.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 B F4 O3 -","- C17 H15 B F4 O3 -","- C68 H60 B4 F16 O12 -","4","1","","Hu, Zhi-Long; Qian, Wen-Jian; Wang, Sheng; Wang, Shaozhong; Yao, Zhu-Jun","Transformation of reactive isochromenylium intermediates to stable salts and their cascade reactions with olefins.","Organic letters","2009","11","20","4676","4679","10.1021/ol9019524","","","0.71073","MoKα","","0.1147","0.0741","","","0.2127","0.2375","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504213","10.0245","0.0006","12.5364","0.0008","17.6378","0.0011","90","","90","","90","","2216.6","0.2","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 O10 -","- C21 H28 O10 -","- C84 H112 O40 -","4","1","","Afarinkia, Kamyar; Abdullahi, Mohamed Haji; Scowen, Ian J.","A new, general method for the synthesis of carbasugar-sugar pseudodisaccharides.","Organic letters","2009","11","22","5182","5184","10.1021/ol901960y","","","0.71073","MoKα","","0.0626","0.0437","","","0.1004","0.1095","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504214","6.5381","0.0009","13.0869","0.0016","28.301","0.003","90","","90","","90","","2421.5","0.5","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H40 O5 Si -","- C25 H40 O5 Si -","- C100 H160 O20 Si4 -","4","1","","Krawczuk, Paul J.; Schöne, Niklas; Baran, Phil S.","A synthesis of the carbon skeleton of maoecrystal V.","Organic letters","2009","11","21","4774","4776","10.1021/ol901963v","","","1.54178","CuKα","","0.1147","0.0957","","","0.249","0.2631","","","","","","1.153","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504215","27.8634","0.0011","7.012","0.0002","18.3625","0.0007","90","","129.332","0.002","90","","2774.98","0.19","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","NIS170C5","","","- C27 H40 O7 Si -","- C27 H40 O7 Si -","- C108 H160 O28 Si4 -","4","1","","Krawczuk, Paul J.; Schöne, Niklas; Baran, Phil S.","A synthesis of the carbon skeleton of maoecrystal V.","Organic letters","2009","11","21","4774","4776","10.1021/ol901963v","","","1.54178","CuKα","","0.071","0.0673","","","0.1837","0.1883","","","","","","1.052","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1504216","7.1446","0.0002","10.9191","0.0003","23.7565","0.0007","90","","91.941","0.002","90","","1852.24","0.09","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","PK-IV-261","","","- C21 H24 O6 -","- C21 H24 O6 -","- C84 H96 O24 -","4","1","","Krawczuk, Paul J.; Schöne, Niklas; Baran, Phil S.","A synthesis of the carbon skeleton of maoecrystal V.","Organic letters","2009","11","21","4774","4776","10.1021/ol901963v","","","1.54178","CuKα","","0.0414","0.0333","","","0.0812","0.0862","","","","","","1.042","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1504217","30.4299","0.0006","7.0493","0.0002","19.6268","0.0003","90","","111.309","0.001","90","","3922.31","0.15","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","NIS-191","","","- C21 H27 O7 -","- C21 H27 O7 -","- C168 H216 O56 -","8","2","","Krawczuk, Paul J.; Schöne, Niklas; Baran, Phil S.","A synthesis of the carbon skeleton of maoecrystal V.","Organic letters","2009","11","21","4774","4776","10.1021/ol901963v","","","1.54178","CuKα","","0.0856","0.0626","","","0.13","0.1437","","","","","","1.054","","","","has coordinates","204147","2020-10-21","18:00:00",""
"1504218","8.4452","0.0008","10.6647","0.0009","11.566","0.001","82.23","0.002","89.149","0.002","77.425","0.002","1007.26","0.15","296.1","","","","","","","","","","","3","P 1","P 1","1","","","","- C26 H21 O3 -","- C26 H21 O3 -","- C52 H42 O6 -","2","2","","Yoshida, Masahiro; Higuchi, Mariko; Shishido, Kozo","Stereoselective construction of substituted chromans by palladium-catalyzed cyclization of propargylic carbonates with 2-(2-hydroxyphenyl)acetates.","Organic letters","2009","11","20","4752","4755","10.1021/ol901964z","","","0.7107","MoKα","","","0.084","","","","0.191","","","","","","0.875","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504219","7.718","0.003","11.898","0.005","14.296","0.006","96.932","0.006","103.456","0.006","108.338","0.007","1184.9","0.8","100","0.5","100","2","","","","","","","","5","P 1","P 1","1","","","","- C26 H33 N O3 Si -","- C26 H33 N O3 Si -","- C52 H66 N2 O6 Si2 -","2","2","","Tietze, Lutz F.; Tölle, Nina; Kratzert, Daniel; Stalke, Dietmar","Efficient formal total synthesis of the erythrina alkaloid (+)-erysotramidine, using a domino process.","Organic letters","2009","11","22","5230","5233","10.1021/ol901980u","","","0.71073","MoKα","","0.0373","0.0329","","","0.1008","0.104","","","","","","1.042","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1504220","10.762","0.003","12.294","0.004","11.66","0.004","90","","106.56","0.005","90","","1478.7","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Tietze, Lutz F.; Tölle, Nina; Kratzert, Daniel; Stalke, Dietmar","Efficient formal total synthesis of the erythrina alkaloid (+)-erysotramidine, using a domino process.","Organic letters","2009","11","22","5230","5233","10.1021/ol901980u","","","0.71073","MoKα","","0.0548","0.0414","","","0.0899","0.0976","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504221","25.5017","0.0011","10.0101","0.0004","18.5411","0.0009","90","","118.749","0.003","90","","4149.6","0.3","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C29 H22 O2 -","- C29 H22 O2 -","- C232 H176 O16 -","8","1","","Zhang, Xiaoxiang; Teo, Wan Teng; Chan, Philip Wai Hong","Ytterbium(III) triflate catalyzed tandem Friedel-Crafts alkylation/hydroarylation of propargylic alcohols with phenols as an expedient route to indenols.","Organic letters","2009","11","21","4990","4993","10.1021/ol901981s","","","0.71073","MoKα","","0.0883","0.0515","","","0.1372","0.1701","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504222","14.0468","0.0008","6.6546","0.0004","18.8942","0.001","90","","110.607","0.001","90","","1653.15","0.16","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 O2 -","- C20 H24 O2 -","- C80 H96 O8 -","4","1","","Falck, J. R.; Bandyopadhyay, Anish; Puli, Narender; Kundu, Abhijit; Reddy, L. Manmohan; Barma, Deb K.; He, Anyu; Zhang, Hongming; Kashinath, Dhurke; Baati, Rachid","Cascade synthesis of (E)-2-alkylidenecyclobutanols.","Organic letters","2009","11","20","4764","4766","10.1021/ol901985c","","","0.71073","MoKα","","0.065","0.053","","","0.13","0.136","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504223","11.9221","0.0004","10.8903","0.0006","16.4113","0.0008","90","","105.351","0.003","90","","2054.74","0.17","150","1","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H28 N2 O5 S -","- C20 H28 N2 O5 S -","- C80 H112 N8 O20 S4 -","4","2","","Webster, Robert; Lautens, Mark","Conformational effects in diastereoselective aryne Diels-Alder reactions: synthesis of benzo-fused [2.2.1] heterobicycles.","Organic letters","2009","11","20","4688","4691","10.1021/ol9019869","","","0.71073","MoKα","","0.103","0.0551","","","0.1143","0.1379","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504224","22.7128","0.0017","8.0293","0.0005","8.0067","0.0005","90","","90","","90","","1460.16","0.17","150","1","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N O4 S -","- C15 H19 N O4 S -","- C60 H76 N4 O16 S4 -","4","1","","Webster, Robert; Lautens, Mark","Conformational effects in diastereoselective aryne Diels-Alder reactions: synthesis of benzo-fused [2.2.1] heterobicycles.","Organic letters","2009","11","20","4688","4691","10.1021/ol9019869","","","0.71073","MoKα","","0.1239","0.0591","","","0.1251","0.1596","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504225","7.8477","0.0004","11.5372","0.0005","10.5434","0.0005","90","","108.089","0.003","90","","907.42","0.08","150","1","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 N O4 S -","- C21 H23 N O4 S -","- C42 H46 N2 O8 S2 -","2","1","","Webster, Robert; Lautens, Mark","Conformational effects in diastereoselective aryne Diels-Alder reactions: synthesis of benzo-fused [2.2.1] heterobicycles.","Organic letters","2009","11","20","4688","4691","10.1021/ol9019869","","","0.71073","MoKα","","0.0905","0.0527","","","0.1085","0.1286","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504226","12.1704","0.0003","17.3626","0.0003","7.5061","0.0008","90","","90","","90","","1586.11","0.18","150","1","150","1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C64 H84 N4 O16 S4 -","4","1","","Webster, Robert; Lautens, Mark","Conformational effects in diastereoselective aryne Diels-Alder reactions: synthesis of benzo-fused [2.2.1] heterobicycles.","Organic letters","2009","11","20","4688","4691","10.1021/ol9019869","","","0.71073","MoKα","","0.0692","0.0433","","","0.0928","0.1072","","","","","","0.996","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504227","5.9876","0.0005","7.3491","0.0003","19.9858","0.0018","90","","97.689","0.003","90","","871.54","0.11","150","1","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H26 O2 Si -","- C18 H26 O2 Si -","- C36 H52 O4 Si2 -","2","1","","Webster, Robert; Lautens, Mark","Conformational effects in diastereoselective aryne Diels-Alder reactions: synthesis of benzo-fused [2.2.1] heterobicycles.","Organic letters","2009","11","20","4688","4691","10.1021/ol9019869","","","0.71073","MoKα","","0.0724","0.0555","","","0.1285","0.1405","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504228","8.0984","0.0002","13.6158","0.0003","19.1081","0.0006","90","","90","","90","","2106.98","0.1","150","1","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 N O4 S -","- C23 H29 N O4 S -","- C92 H116 N4 O16 S4 -","4","1","","Webster, Robert; Lautens, Mark","Conformational effects in diastereoselective aryne Diels-Alder reactions: synthesis of benzo-fused [2.2.1] heterobicycles.","Organic letters","2009","11","20","4688","4691","10.1021/ol9019869","","","0.71073","MoKα","","0.0677","0.0439","","","0.1009","0.1151","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504229","10.834","0.0002","10.834","0.0002","36.399","0.0009","90","","90","","90","","4272.35","0.15","150","1","150","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C23 H27 N O4 S -","- C23 H27 N O4 S -","- C184 H216 N8 O32 S8 -","8","1","","Webster, Robert; Lautens, Mark","Conformational effects in diastereoselective aryne Diels-Alder reactions: synthesis of benzo-fused [2.2.1] heterobicycles.","Organic letters","2009","11","20","4688","4691","10.1021/ol9019869","","","0.71073","MoKα","","0.0696","0.0419","","","0.0848","0.0947","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504230","7.76","0.0003","8.8993","0.0003","27.238","0.001","90","","90","","90","","1881.02","0.12","150","1","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O4 S -","- C21 H23 N O4 S -","- C84 H92 N4 O16 S4 -","4","1","","Webster, Robert; Lautens, Mark","Conformational effects in diastereoselective aryne Diels-Alder reactions: synthesis of benzo-fused [2.2.1] heterobicycles.","Organic letters","2009","11","20","4688","4691","10.1021/ol9019869","","","0.71073","MoKα","","0.0865","0.0494","","","0.1002","0.1165","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504231","7.144","0.0003","11.902","0.0002","30.0352","0.0012","90","","90","","90","","2553.83","0.15","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H37 Cl N2 O4 S -","- C26 H37 Cl N2 O4 S -","- C104 H148 Cl4 N8 O16 S4 -","4","1","","Webster, Robert; Lautens, Mark","Conformational effects in diastereoselective aryne Diels-Alder reactions: synthesis of benzo-fused [2.2.1] heterobicycles.","Organic letters","2009","11","20","4688","4691","10.1021/ol9019869","","","0.71073","MoKα","","0.0703","0.0452","","","0.0976","0.1098","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504232","7.1052","0.0002","11.8008","0.0003","28.9702","0.0007","90","","90","","90","","2429.07","0.11","150","1","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 Cl N2 O4 S -","- C26 H31 Cl N2 O4 S -","- C104 H124 Cl4 N8 O16 S4 -","4","1","","Webster, Robert; Lautens, Mark","Conformational effects in diastereoselective aryne Diels-Alder reactions: synthesis of benzo-fused [2.2.1] heterobicycles.","Organic letters","2009","11","20","4688","4691","10.1021/ol9019869","","","0.71073","MoKα","","0.0502","0.039","","","0.0915","0.0969","","","","","","1.05","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504233","10.3654","0.0005","10.9898","0.0005","10.6563","0.0005","90","","104.714","0.002","90","","1174.09","0.1","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H32 N O4 S -","- C25 H32 N O4 S -","- C50 H64 N2 O8 S2 -","2","1","","Webster, Robert; Lautens, Mark","Conformational effects in diastereoselective aryne Diels-Alder reactions: synthesis of benzo-fused [2.2.1] heterobicycles.","Organic letters","2009","11","20","4688","4691","10.1021/ol9019869","","","0.71073","MoKα","","0.0946","0.0599","","","0.1248","0.1453","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504234","6.7635","0.0011","13.1016","0.0023","9.4936","0.0016","90","","99.898","0.014","90","","828.7","0.2","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H26 O3 -","- C18 H26 O3 -","- C36 H52 O6 -","2","1","","Tseng, Yen-Ju; Wen, Zhi-Hong; Dai, Chang-Feng; Chiang, Michael Y.; Sheu, Jyh-Horng","Nanolobatolide, a new C18 metabolite from the Formosan soft coral Sinularia nanolobata.","Organic letters","2009","11","21","5030","5032","10.1021/ol901990c","","","0.71073","MoKα","","0.0844","0.0368","","","0.0883","0.1045","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504235","10.3835","0.0013","18.167","0.002","9.6747","0.0012","90","","90","","90","","1825","0.4","90","","90","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C24 H20 O2 -","- C24 H20 O2 -","- C96 H80 O8 -","4","1","","Onodera, Gen; Kato, Minoru; Kawano, Ryo; Kometani, Yuri; Takeuchi, Ryo","Highly regio- and stereoselective addition of 1,3-diketones to internal alkynes catalyzed by cationic iridium complex.","Organic letters","2009","11","21","5038","5041","10.1021/ol9020095","","","0.71073","MoKα","","0.0439","0.0402","","","0.069","0.0694","","","","","","2.737","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504236","9.03","0.005","11.494","0.006","26.562","0.014","90","","90","","90","","2757","3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","ethyl 2-((1R,9bS)-9b-hydroxy-5-oxo-2,3,5,9b- tetrahydro-1H-pyrrolo[2,1-a]isoindol-1-yl)acetate","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C120 H136 N8 O32 -","8","1","","Kise, Naoki; Isemoto, Shinsaku; Sakurai, Toshihiko","Electroreductive coupling of phthalimides with alpha,beta-unsaturated esters: unusual rearrangement of resulting silyl ketene acetals.","Organic letters","2009","11","21","4902","4905","10.1021/ol902016a","","","0.71075","MoKα","","0.0991","0.0546","","","0.1186","0.1359","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504237","9.4786","0.0007","10.8076","0.0008","28.163","0.002","90","","90","","90","","2885","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","ethyl 2-((1R,10bS)-10b-hydroxy-6-oxo-1,2,3,4,6,10b- hexahydropyrido[2,1-a]isoindol-1-yl)acetate","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C128 H152 N8 O32 -","8","1","","Kise, Naoki; Isemoto, Shinsaku; Sakurai, Toshihiko","Electroreductive coupling of phthalimides with alpha,beta-unsaturated esters: unusual rearrangement of resulting silyl ketene acetals.","Organic letters","2009","11","21","4902","4905","10.1021/ol902016a","","","0.71075","MoKα","","0.0919","0.0576","","","0.1418","0.1614","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504238","7.7","0.003","8.873","0.004","16.958","0.006","99.1","0.04","101.15","0.03","92.16","0.04","1119.6","0.8","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","methyl 5-hydroxy-1H-benzo[g]indole-4-carboxylate","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","2","","Kise, Naoki; Isemoto, Shinsaku; Sakurai, Toshihiko","Electroreductive coupling of phthalimides with alpha,beta-unsaturated esters: unusual rearrangement of resulting silyl ketene acetals.","Organic letters","2009","11","21","4902","4905","10.1021/ol902016a","","","0.71075","MoKα","","0.0618","0.0441","","","0.1122","0.1215","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504239","7.578","0.004","17.794","0.01","8.169","0.005","90","","87.67","0.04","90","","1100.6","1.1","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","ethyl 1-hydroxy-4-(methylamino)-2-naphthoate","","- C13 H13 N O3 -","- C13 H13 N O3 -","- C52 H52 N4 O12 -","4","1","","Kise, Naoki; Isemoto, Shinsaku; Sakurai, Toshihiko","Electroreductive coupling of phthalimides with alpha,beta-unsaturated esters: unusual rearrangement of resulting silyl ketene acetals.","Organic letters","2009","11","21","4902","4905","10.1021/ol902016a","","","0.71075","MoKα","","0.0781","0.0435","","","0.1066","0.1194","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504240","14.1491","0.0011","15.475","0.0012","14.3939","0.0011","90","","90.06","0.005","90","","3151.6","0.4","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38.76 H26.76 Cl2.28 N2 O4 -","- C38.758 H26.758 Cl2.274 N2 O4 -","- C155.032 H107.032 Cl9.096 N8 O16 -","4","1","","Maugel, Nathan; Snider, Barry B.","Efficient synthesis of the tetracyclic aminoquinone moiety of marmycin A.","Organic letters","2009","11","21","4926","4929","10.1021/ol9020496","","","0.71073","MoKα","","0.0947","0.0781","","0.1993","0.179","0.1993","","","","","","0.9575","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504241","11.0848","0.0004","8.9222","0.0003","11.2461","0.0004","90","","116.209","0.002","90","","997.9","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H28 O3 S -","- C23 H28 O3 S -","- C46 H56 O6 S2 -","2","1","","Hernández-Torres, Gloria; Urbano, Antonio; Carreño, M Carmen; Colobert, Françoise","Stereocontrolled generation of the (2R) chroman core of vitamin E: total synthesis of (2R,4'RS,8'RS)-alpha-tocopherol.","Organic letters","2009","11","21","4930","4933","10.1021/ol9020783","","","1.54178","CuKα","","0.0297","0.0291","","","0.0751","0.0758","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504242","12.5109","0.0004","15.341","0.0005","17.9478","0.0006","90","","90","","90","","3444.72","0.19","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 Cl2 N O -","- C20 H17 Cl2 N O -","- C160 H136 Cl16 N8 O8 -","8","2","","Oinen, Mark Emil; Yu, Robert T.; Rovis, Tomislav","Excess substrate is a spectator ligand in a rhodium-catalyzed asymmetric [2 + 2 + 2] cycloaddition of alkenyl isocyanates with tolanes.","Organic letters","2009","11","21","4934","4937","10.1021/ol9020805","","","0.71073","MoKα","","0.0897","0.0501","","","0.1001","0.1157","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504243","15.8","0.005","5.833","0.005","18.339","0.005","90","0.005","99.491","0.005","90","0.005","1667","1.6","291","2","291","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H27 Br Cl3 N O6 -","- C35 H27 Br Cl3 N O6 -","- C70 H54 Br2 Cl6 N2 O12 -","2","1","","Yu, Jie; He, Long; Chen, Xiao-Hua; Song, Jin; Chen, Wei-Jie; Gong, Liu-Zhu","Highly enantioselective catalytic 1,3-dipolar cycloaddition involving 2,3-allenoate dipolarophiles.","Organic letters","2009","11","21","4946","4949","10.1021/ol9020964","","","1.54184","CuKα","","0.0507","0.0312","","","0.0596","0.0652","","","","","","0.998","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504244","6.0566","0.0005","11.2097","0.0009","30.664","0.002","90","","90","","90","","2081.9","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O4 S2 -","- C23 H21 N O4 S2 -","- C92 H84 N4 O16 S8 -","4","1","","Moreno-Clavijo, Elena; Carmona, Ana T.; Reissig, Hans-Ulrich; Moreno-Vargas, Antonio J; Alvarez, Eleuterio; Robina, Inmaculada","Allenyl sulfones and allenyl sulfides in the synthesis of 3-pyrrolines. A novel nucleophilic [3 + 2] cycloaddition on allenyl sulfones giving rearranged cycloadducts.","Organic letters","2009","11","21","4778","4781","10.1021/ol902097d","","","0.71073","MoKα","","0.1243","0.06","","","0.11","0.1303","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504245","5.9508","0.0014","11.729","0.002","31.384","0.006","90","","90","","90","","2190.5","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 N O5 S2 -","- C24 H23 N O5 S2 -","- C96 H92 N4 O20 S8 -","4","1","","Moreno-Clavijo, Elena; Carmona, Ana T.; Reissig, Hans-Ulrich; Moreno-Vargas, Antonio J; Alvarez, Eleuterio; Robina, Inmaculada","Allenyl sulfones and allenyl sulfides in the synthesis of 3-pyrrolines. A novel nucleophilic [3 + 2] cycloaddition on allenyl sulfones giving rearranged cycloadducts.","Organic letters","2009","11","21","4778","4781","10.1021/ol902097d","","","0.71073","MoKα","","0.0837","0.0585","","","0.1225","0.1626","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504246","10.8889","0.0003","18.2557","0.0003","30.536","0.0006","90","","90","","90","","6070.1","0.2","295","2","295","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C39 H42 -","- C39 H42 -","- C312 H336 -","8","1","","Yang, Jye-Shane; Huang, Hsin-Hau; Liu, Yi-Hung; Peng, Shie-Ming","Synthesis and electronic properties of isotruxene-derived star-shaped ladder-type oligophenylenes: bandgap tuning with two-dimensional conjugation.","Organic letters","2009","11","21","4942","4945","10.1021/ol9021035","","","1.54178","CuKα","","0.0626","0.0443","","","0.1264","0.1367","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504247","19.1412","0.0004","12.114","0.0002","40.84","0.0013","90","","91.949","0.003","90","","9464.4","0.4","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C118 H122 O8 -","- C118 H122 O8 -","- C472 H488 O32 -","4","1","","Yang, Jye-Shane; Huang, Hsin-Hau; Liu, Yi-Hung; Peng, Shie-Ming","Synthesis and electronic properties of isotruxene-derived star-shaped ladder-type oligophenylenes: bandgap tuning with two-dimensional conjugation.","Organic letters","2009","11","21","4942","4945","10.1021/ol9021035","","","1.54178","CuKα","","0.1198","0.075","","","0.1859","0.2027","","","","","","1.113","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504248","6.8184","0.0003","8.0206","0.0003","9.7388","0.0003","68.06","0.001","71.71","0.001","89.378","0.001","465.63","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H12 Cl4 Cu2 N8 -","- C12 H12 Cl4 Cu2 N8 -","- C12 H12 Cl4 Cu2 N8 -","1","0.5","","Brotherton, Wendy S.; Michaels, Heather A.; Simmons, J. Tyler; Clark, Ronald J.; Dalal, Naresh S.; Zhu, Lei","Apparent copper(II)-accelerated azide-alkyne cycloaddition.","Organic letters","2009","11","21","4954","4957","10.1021/ol9021113","","","0.71073","MoKα","","0.0218","0.021","","","0.0503","0.0504","","","","","","2.709","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1504249","11.422","0.003","16.075","0.004","17.832","0.005","90","","90","","90","","3274.1","1.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 Cl2 Cu N9 O8 -","- C30 H27 Cl2 Cu N9 O8 -","- C120 H108 Cl8 Cu4 N36 O32 -","4","1","","Brotherton, Wendy S.; Michaels, Heather A.; Simmons, J. Tyler; Clark, Ronald J.; Dalal, Naresh S.; Zhu, Lei","Apparent copper(II)-accelerated azide-alkyne cycloaddition.","Organic letters","2009","11","21","4954","4957","10.1021/ol9021113","","","0.71073","MoKα","","0.0283","0.0259","","","0.0581","0.0591","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1504250","16.8646","0.0015","7.5283","0.0007","18.99","0.0017","90","","103.99","0.002","90","","2339.5","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Cl2 Cu N6 O4 -","- C22 H22 Cl2 Cu N6 O4 -","- C88 H88 Cl8 Cu4 N24 O16 -","4","1","","Brotherton, Wendy S.; Michaels, Heather A.; Simmons, J. Tyler; Clark, Ronald J.; Dalal, Naresh S.; Zhu, Lei","Apparent copper(II)-accelerated azide-alkyne cycloaddition.","Organic letters","2009","11","21","4954","4957","10.1021/ol9021113","","","0.71073","MoKα","","0.0494","0.0422","","","0.1004","0.104","","","","","","1.1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1504251","22.641","0.004","5.6658","0.0016","22.789","0.006","90","","85.983","0.011","90","","2916.2","1.2","123.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C13 H20 N2 O3 S -","- C13 H20 N2 O3 S -","- C104 H160 N16 O24 S8 -","8","2","","Namba, Kosuke; Shoji, Isamu; Nishizawa, Mugio; Tanino, Keiji","4-Aminopyridine catalyzed direct and regioselective acylation of N-tosylhydrazide.","Organic letters","2009","11","21","4970","4973","10.1021/ol9021194","","","0.71075","MoKα","","","0.1074","","","","0.1751","","","","","","0.801","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504252","28.707","0.006","6.806","0.0014","17.534","0.004","90","","119.49","0.03","90","","2982","1.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H9 N4 -","- C18 H9 N4 -","- C144 H72 N32 -","8","1","","Lee, Sanghee; Park, Seung Bum","An efficient one-step synthesis of heterobiaryl pyrazolo[3,4-b]pyridines via indole ring opening.","Organic letters","2009","11","22","5214","5217","10.1021/ol902147u","","","0.71073","MoKα","","0.186","0.0677","","","0.1523","0.1752","","","","","","0.852","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504253","17.055","0.003","6.187","0.0012","22.305","0.005","90","","90","","90","","2353.6","0.8","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N4 -","- C13 H12 N4 -","- C104 H96 N32 -","8","1","","Lee, Sanghee; Park, Seung Bum","An efficient one-step synthesis of heterobiaryl pyrazolo[3,4-b]pyridines via indole ring opening.","Organic letters","2009","11","22","5214","5217","10.1021/ol902147u","","","0.71073","MoKα","","0.0772","0.0354","","","0.0784","0.0838","","","","","","0.82","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504254","6.939","0.002","18.93","0.006","24.814","0.008","98.577","0.007","92.11","0.008","94.993","0.008","3206.7","1.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H78 N6 O11 S4 Zn -","- C57 H78 N6 O11 S4 Zn -","- C114 H156 N12 O22 S8 Zn2 -","2","1","","Castilla, Ana M.; Curreli, Simona; Escudero-Adán, Eduardo C; Belmonte, Marta Martínez; Benet-Buchholz, Jordi; Kleij, Arjan W.","Modular synthesis of heterobimetallic salen structures using metal templation.","Organic letters","2009","11","22","5218","5221","10.1021/ol902149p","","","0.71073","MoKα","","0.143","0.0943","","","0.2357","0.2768","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504255","11.3134","0.0005","15.5617","0.0007","20.9829","0.0008","77.205","0.003","88.031","0.003","69.344","0.002","3367","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H78 Cl2 N6 Ni O12 Pd S4 -","- C64 H78 Cl2 N6 Ni O12 Pd S4 -","- C128 H156 Cl4 N12 Ni2 O24 Pd2 S8 -","2","1","","Castilla, Ana M.; Curreli, Simona; Escudero-Adán, Eduardo C; Belmonte, Marta Martínez; Benet-Buchholz, Jordi; Kleij, Arjan W.","Modular synthesis of heterobimetallic salen structures using metal templation.","Organic letters","2009","11","22","5218","5221","10.1021/ol902149p","","","0.71073","MoKα","","0.0744","0.0593","","","0.1513","0.1644","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504256","17.0937","0.001","16.8043","0.001","19.5183","0.0011","90","","90.552","0.003","90","","5606.3","0.6","373","2","373","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 I N2 O3 Zn -","- C24 H27 I N2 O3 Zn -","- C192 H216 I8 N16 O24 Zn8 -","8","2","","Long, Jiang; Xu, Liang; Du, Haifeng; Li, Kai; Shi, Yian","Mechanistic studies on a dipeptide-promoted asymmetric cyclopropanation of unfunctionalized olefins.","Organic letters","2009","11","22","5226","5229","10.1021/ol902150j","","","0.71073","MoKα","","0.1779","0.0539","","","0.133","0.1775","","","","","","0.918","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1504257","11.17","0.009","31.41","0.02","6.923","0.005","90","","103.83","0.03","90","","2359","3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 S Si2 -","- C24 H24 N2 S Si2 -","- C96 H96 N8 S4 Si8 -","4","1","","Appleton, Anthony Lucas; Miao, Shaobin; Brombosz, Scott M.; Berger, Nancy J.; Barlow, Stephen; Marder, Seth R.; Lawrence, Brian M.; Hardcastle, Kenneth I.; Bunz, Uwe H. F.","Alkynylated aceno[2,1,3]thiadiazoles.","Organic letters","2009","11","22","5222","5225","10.1021/ol902156x","","","1.54178","CuKα","","0.3771","0.1355","","","0.2752","0.3729","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504258","6.9544","0.0016","34.474","0.008","11.839","0.002","90","","90.203","0.018","90","","2838.3","1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 N2 S Si2 -","- C30 H36 N2 S Si2 -","- C120 H144 N8 S4 Si8 -","4","1","","Appleton, Anthony Lucas; Miao, Shaobin; Brombosz, Scott M.; Berger, Nancy J.; Barlow, Stephen; Marder, Seth R.; Lawrence, Brian M.; Hardcastle, Kenneth I.; Bunz, Uwe H. F.","Alkynylated aceno[2,1,3]thiadiazoles.","Organic letters","2009","11","22","5222","5225","10.1021/ol902156x","","","1.54178","CuKα","","0.2408","0.1371","","","0.3237","0.3754","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504259","9.5067","0.0019","19.416","0.004","17.54","0.004","90","","104.01","0.03","90","","3141.3","1.2","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O5 -","- C19 H18 O5 -","- C152 H144 O40 -","8","2","","Liang, Zhidan; Hou, Weizhe; Du, Yunfei; Zhang, Yongliang; Pan, Yan; Mao, Deng; Zhao, Kang","Oxidative aromatic C-O bond formation: synthesis of 3-functionalized benzo[b]furans by FeCl3-mediated ring closure of alpha-aryl ketones.","Organic letters","2009","11","21","4978","4981","10.1021/ol902157c","","","0.71073","MoKα","","0.0891","0.0599","","","0.1362","0.1522","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504260","9.1287","0.0008","17.9478","0.0015","13.3841","0.0011","90","","105.166","0.002","90","","2116.5","0.3","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C96 H108 N4 O24 -","4","1","","Brailsford, John A.; Lauchli, Ryan; Shea, Kenneth J.","Synthesis of the bicyclic welwitindolinone core via an alkylation/cyclization cascade reaction.","Organic letters","2009","11","22","5330","5333","10.1021/ol902173g","","","0.71073","MoKα","","0.0466","0.0361","","","0.0905","0.0986","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504261","9.0274","0.0005","14.0533","0.0008","26.6612","0.0015","87.697","0.001","85.06","0.001","71.596","0.001","3197.1","0.3","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H47 N O7 Si -","- C33 H47 N O7 Si -","- C132 H188 N4 O28 Si4 -","4","2","","Brailsford, John A.; Lauchli, Ryan; Shea, Kenneth J.","Synthesis of the bicyclic welwitindolinone core via an alkylation/cyclization cascade reaction.","Organic letters","2009","11","22","5330","5333","10.1021/ol902173g","","","0.71073","MoKα","","0.0674","0.0439","","","0.1015","0.1149","","","","","","1.011","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504262","25.789","0.011","10.154","0.004","15.75","0.007","90","","112.458","0.007","90","","3812","3","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C60 H40 -","- C60 H40 -","- C240 H160 -","4","0.5","","Mahlokozera, Tatenda; Goods, John B.; Childs, Adam M.; Thamattoor, Dasan M.","Crystal structure of a cyclotetramer from a strained cyclic allene.","Organic letters","2009","11","22","5095","5097","10.1021/ol902177b","","","0.71073","MoKα","","0.0832","0.0575","","","0.1401","0.1533","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504263","12.9225","0.0006","15.4857","0.0007","17.3378","0.0008","109.715","0.004","96.989","0.004","94.173","0.004","3217.8","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H32 N6 Ni O6 S6 -","- C54 H32 N6 Ni O6 S6 -","- C108 H64 N12 Ni2 O12 S12 -","2","1","","Colquhoun, Howard M.; Greenland, Barnaby W.; Zhu, Zhixue; Shaw, John S.; Cardin, Christine J.; Burattini, Stefano; Elliott, Joanne M.; Basu, Subhadeep; Gasa, Travis B.; Stoddart, J. Fraser","A general synthesis of macrocyclic pi-electron-acceptor systems.","Organic letters","2009","11","22","5238","5241","10.1021/ol9021782","","","0.71073","MoKα","","0.1272","0.0572","","","0.1172","0.1286","","","","","","0.76","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504264","17.9311","0.0007","10.112","0.0004","22.4591","0.0008","90","","101.184","0.002","90","","3994.9","0.3","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H20 Br N O4 -","- C21 H20 Br N O4 -","- C168 H160 Br8 N8 O32 -","8","2","","Hong, Bor-Cherng; Jan, Rei-Hau; Tsai, Chih-Wei; Nimje, Roshan Y.; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Organocatalytic enantioselective cascade Michael-Michael-Wittig reactions of phosphorus ylides: one-pot synthesis of the all-cis trisubstituted cyclohexenecarboxylates via the [1 + 2 + 3] annulation.","Organic letters","2009","11","22","5246","5249","10.1021/ol9021832","","","0.71073","MoKα","","0.0536","0.0379","","","0.0925","0.1001","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504265","5.8261","0.0004","11.6473","0.0007","28.0478","0.0017","90","","90","","90","","1903.3","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 Br N O4 -","- C21 H20 Br N O4 -","- C84 H80 Br4 N4 O16 -","4","1","","Hong, Bor-Cherng; Jan, Rei-Hau; Tsai, Chih-Wei; Nimje, Roshan Y.; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Organocatalytic enantioselective cascade Michael-Michael-Wittig reactions of phosphorus ylides: one-pot synthesis of the all-cis trisubstituted cyclohexenecarboxylates via the [1 + 2 + 3] annulation.","Organic letters","2009","11","22","5246","5249","10.1021/ol9021832","","","0.71073","MoKα","","0.0465","0.0414","","","0.0935","0.0958","","","","","","1.104","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504266","12.2127","0.001","6.0204","0.0005","13.4972","0.0011","90","","112.925","0.001","90","","914","0.13","298","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C42 H42 N2 O8 -","2","1","","Hong, Bor-Cherng; Jan, Rei-Hau; Tsai, Chih-Wei; Nimje, Roshan Y.; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Organocatalytic enantioselective cascade Michael-Michael-Wittig reactions of phosphorus ylides: one-pot synthesis of the all-cis trisubstituted cyclohexenecarboxylates via the [1 + 2 + 3] annulation.","Organic letters","2009","11","22","5246","5249","10.1021/ol9021832","","","0.71073","MoKα","","0.0958","0.0779","","","0.1694","0.185","","","","","","1.206","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504267","7.7034","0.0009","23.256","0.003","10.1217","0.0012","90","","91.325","0.002","90","","1812.8","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","","Hong, Bor-Cherng; Jan, Rei-Hau; Tsai, Chih-Wei; Nimje, Roshan Y.; Liao, Ju-Hsiou; Lee, Gene-Hsiang","Organocatalytic enantioselective cascade Michael-Michael-Wittig reactions of phosphorus ylides: one-pot synthesis of the all-cis trisubstituted cyclohexenecarboxylates via the [1 + 2 + 3] annulation.","Organic letters","2009","11","22","5246","5249","10.1021/ol9021832","","","0.71073","MoKα","","0.0744","0.058","","","0.1595","0.1734","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504268","8.545","0.005","20.367","0.005","11.172","0.005","90","","102.078","0.005","90","","1901.3","1.5","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 O5 -","- C25 H16 O5 -","- C100 H64 O20 -","4","1","","Raffa, Guillaume; Rusch, Marion; Balme, Geneviève; Monteiro, Nuno","A Pd-catalyzed heteroannulation approach to 2,3-disubstituted furo[3,2-c]coumarins.","Organic letters","2009","11","22","5254","5257","10.1021/ol902189q","","","0.71069","MoKα","","0.1603","0.0601","","0.2136","0.0664","0.0664","","","","","","1.0803","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504269","15.538","0.002","7.301","0.0008","16.871","0.002","90","","98.46","0.01","90","","1893.1","0.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N2 O4 -","- C24 H16 N2 O4 -","- C96 H64 N8 O16 -","4","1","","Raffa, Guillaume; Rusch, Marion; Balme, Geneviève; Monteiro, Nuno","A Pd-catalyzed heteroannulation approach to 2,3-disubstituted furo[3,2-c]coumarins.","Organic letters","2009","11","22","5254","5257","10.1021/ol902189q","","","0.71069","MoKα","","0.0778","0.044","","0.1359","0.1265","0.1359","","","","","","0.9333","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504270","10.9019","0.0009","13.4448","0.0011","18.6462","0.0016","90","","90","","90","","2733","0.4","150","1","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H24.26 Cl2.74 F N2 Ni O4 -","- C27 H24.261 Cl2.739 F N2 Ni O4 -","- C108 H97.044 Cl10.956 F4 N8 Ni4 O16 -","4","1","","Kim, Hyunwoo; Chin, Jik","Stereospecific synthesis of alpha-substituted syn-alpha,beta-diamino acids by the diaza-Cope rearrangement.","Organic letters","2009","11","22","5258","5260","10.1021/ol9021904","","","0.71073","MoKα","","0.1221","0.0718","","","0.1655","0.1961","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504271","30.1433","0.0015","30.1433","0.0015","18.809","0.003","90","","90","","120","","14801","3","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C36 H37 Cl O5 -","- C35.6667 H33 Cl O4.5 -","- C642 H594 Cl18 O81 -","18","1","","Zhu, Zhi-Bin; Shi, Min","Palladium(II) acetate catalyzed tandem cycloisomerization and oxidation of arylvinylcyclopropenes using p-benzoquinone as oxidant and pro-nucleophile.","Organic letters","2009","11","22","5278","5281","10.1021/ol902233r","","","0.71073","MoKα","","0.1447","0.0815","","","0.2467","0.2811","","","","","","0.917","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504272","13.662","0.0003","20.5772","0.0004","24.4019","0.0004","90","","90","","90","","6860","0.2","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(<i>cR</i>)-11,17,23-tri-tert-butyl-5-((<i>S</i>)-4-isopropyl-4,5-dihydrooxazol-2-yl)-4-diphenylphosphoryl- 25,26,27,28-tetrapropoxycalix[4]arene","","","- C73 H98 Cl2 N O7 P -","- C73 H98 Cl2 N O7 P -","- C292 H392 Cl8 N4 O28 P4 -","4","1","","Herbert, Simon A.; Arnott, Gareth E.","An asymmetric ortholithiation approach to inherently chiral calix[4]arenes.","Organic letters","2009","11","21","4986","4989","10.1021/ol902238p","","","0.71073","MoKα","","0.076","0.0548","","","0.1293","0.1423","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504273","12.432","0.003","21.192","0.004","19.724","0.004","90","","106.37","0.03","90","","4986","2","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H56 Cl2 N10 O5 -","- C57 H56 Cl2 N10 O5 -","- C228 H224 Cl8 N40 O20 -","4","1","","Xue, Min; Chen, Chuan-Feng","Triptycene-derived N(H)-bridged azacalixarenes: synthesis, structure, and encapsulation of small neutral molecules in the solid state.","Organic letters","2009","11","22","5294","5297","10.1021/ol902246c","","","0.71073","MoKα","","0.1713","0.092","","","0.2023","0.2293","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504274","26.903","0.005","19.366","0.004","27.68","0.006","90","","112.55","0.03","90","","13319","6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cl2 N10 O -","- C16.4167 H9.33333 Cl3.16667 N3.33333 -","- C394 H224 Cl76 N80 -","24","3","","Xue, Min; Chen, Chuan-Feng","Triptycene-derived N(H)-bridged azacalixarenes: synthesis, structure, and encapsulation of small neutral molecules in the solid state.","Organic letters","2009","11","22","5294","5297","10.1021/ol902246c","","","0.71073","MoKα","","0.2723","0.2099","","","0.5191","0.5498","","","","","","1.813","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1504275","24.262","0.004","27.241","0.004","16.704","0.003","90","","102.147","0.003","90","","10793","3","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C59.27 H41.16 Cl3.61 N8 O9.57 -","- C59.314 H43.788 Cl3.626 N8 O9.577 -","- C474.512 H350.304 Cl29.008 N64 O76.616 -","8","1","","Xue, Min; Chen, Chuan-Feng","Triptycene-derived N(H)-bridged azacalixarenes: synthesis, structure, and encapsulation of small neutral molecules in the solid state.","Organic letters","2009","11","22","5294","5297","10.1021/ol902246c","","","0.7107","MoKα","","0.0875","0.0717","","","0.2042","0.2205","","","","","","1.088","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504276","15.098","0.003","15.275","0.003","15.443","0.003","67.68","0.03","61.26","0.03","75.64","0.03","2879.4","1.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H38 Cl2 N10 O5 -","- C50 H38 Cl2 N10 O5 -","- C100 H76 Cl4 N20 O10 -","2","1","","Xue, Min; Chen, Chuan-Feng","Triptycene-derived N(H)-bridged azacalixarenes: synthesis, structure, and encapsulation of small neutral molecules in the solid state.","Organic letters","2009","11","22","5294","5297","10.1021/ol902246c","","","0.71073","MoKα","","0.0823","0.0671","","","0.1877","0.2029","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504277","4.9426","0.0001","12.8163","0.0004","23.5105","0.0006","90","","90","","90","","1489.29","0.07","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H16 I N O3 -","- C15 H16 I N O3 -","- C60 H64 I4 N4 O12 -","4","1","","Pal, Ujjwal; Ranatunga, Sujeewa; Ariyarathna, Yamuna; Del Valle, Juan R.","Total synthesis of the putative structure of lucentamycin A.","Organic letters","2009","11","22","5298","5301","10.1021/ol902251c","","","0.71073","MoKα","","0.0354","0.0249","","","0.0419","0.0446","","","","","","1.103","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504278","13.3942","0.0005","13.3942","0.0005","27.3937","0.0014","90","","90","","120","","4256.1","0.3","183","2","183","2","","","","","","","","5","P 32","P 32","145","","","","- C23 H41 Cl N2 O5 -","- C23 H41 Cl N2 O5 -","- C138 H246 Cl6 N12 O30 -","6","2","","Pal, Ujjwal; Ranatunga, Sujeewa; Ariyarathna, Yamuna; Del Valle, Juan R.","Total synthesis of the putative structure of lucentamycin A.","Organic letters","2009","11","22","5298","5301","10.1021/ol902251c","","","0.71073","MoKα","","0.1624","0.0639","","","0.1418","0.1724","","","","","","0.852","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504279","7.68","0.003","7.68","0.003","37.274","0.019","90","","90","","120","","1904","1.4","120","2","120","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C90 H120 O12 -","6","1","","Magauer, Thomas; Mulzer, Johann; Tiefenbacher, Konrad","Total syntheses of (+)-echinopine A and B: determination of absolute stereochemistry.","Organic letters","2009","11","22","5306","5309","10.1021/ol902263k","","","0.71073","MoKα","","0.0976","0.0713","","","0.1545","0.1635","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504280","13.075","0.003","16.85","0.01","9.3","0.01","90","","90","","90","","2049","3","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","cyclophane","6,6'-Dimethylsulfanyl-4-oxo-4,5-dihydro -monoxa[4.3](1,4)(1',5')-1H-pyrazolo[3,4-d] pyrimidinophane","","- C18 H20 N8 O2 S2 -","- C18 H20 N8 O2 S2 -","- C72 H80 N32 O8 S8 -","4","1","","Avasthi, Kamlakar; Ansari, Amantullah; Tewari, Ashish K.; Kant, Ruchir; Maulik, Prakas R.","Pyrazolo[3,4-d]pyrimidinophanes: convenient synthesis of a new class of cyclophane and X-ray structure of the first representative.","Organic letters","2009","11","22","5290","5293","10.1021/ol902264t","","","0.71073","MoKα","","0.0511","0.0398","","","0.0913","0.097","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504281","18.099","0.004","8.285","0.003","19.042","0.005","90","","105.218","0.009","90","","2755.2","1.4","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C60 H44 Br4 Cl6 N2 O4 -","- C60 H44 Br4 Cl6 N2 O4 -","- C120 H88 Br8 Cl12 N4 O8 -","2","0.5","","Nakazono, Satomi; Easwaramoorthi, Shanmugam; Kim, Dongho; Shinokubo, Hiroshi; Osuka, Atsuhiro","Synthesis of arylated perylene bisimides through C-H bond cleavage under ruthenium catalysis.","Organic letters","2009","11","23","5426","5429","10.1021/ol902271b","","","0.71075","MoKα","","0.1006","0.0727","","","0.215","0.2335","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504282","18.3251","0.0004","8.2876","0.0002","18.7323","0.0004","90","","103.654","0.001","90","","2764.5","0.11","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H48 F12 N4 O4 -","- C66 H48 F12 N4 O4 -","- C132 H96 F24 N8 O8 -","2","0.5","","Nakazono, Satomi; Easwaramoorthi, Shanmugam; Kim, Dongho; Shinokubo, Hiroshi; Osuka, Atsuhiro","Synthesis of arylated perylene bisimides through C-H bond cleavage under ruthenium catalysis.","Organic letters","2009","11","23","5426","5429","10.1021/ol902271b","","","1.54187","CuKα","","0.1584","0.0991","","","0.2556","0.3364","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504283","9.294","0.004","10.196","0.004","18.474","0.008","85.694","0.012","83.861","0.014","66.29","0.013","1592.7","1.2","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H34.36 Cl2.64 N3 O2 -","- C34 H34.364 Cl2.636 N3 O2 -","- C68 H68.728 Cl5.272 N6 O4 -","2","1","","Nakazono, Satomi; Easwaramoorthi, Shanmugam; Kim, Dongho; Shinokubo, Hiroshi; Osuka, Atsuhiro","Synthesis of arylated perylene bisimides through C-H bond cleavage under ruthenium catalysis.","Organic letters","2009","11","23","5426","5429","10.1021/ol902271b","","","0.71075","MoKα","","0.1212","0.088","","","0.2534","0.2814","","","","","","1.049","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504284","6.815","0.004","14.674","0.01","20.572","0.01","70.543","0.019","80.424","0.018","84.6","0.02","1911","2","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H86 F12 N6 O18 S4 -","- C76 H86 F12 N6 O18 S4 -","- C76 H86 F12 N6 O18 S4 -","1","0.5","","Nakazono, Satomi; Easwaramoorthi, Shanmugam; Kim, Dongho; Shinokubo, Hiroshi; Osuka, Atsuhiro","Synthesis of arylated perylene bisimides through C-H bond cleavage under ruthenium catalysis.","Organic letters","2009","11","23","5426","5429","10.1021/ol902271b","","","0.71075","MoKα","","0.199","0.0956","","","0.2053","0.26","","","","","","1.174","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504285","16.5956","0.0013","34.837","0.003","14.5206","0.0011","90","","115.729","0.002","90","","7562.7","1.1","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C87 H112 N6 O4 Zn -","- C87 H112 N6 O4 Zn -","- C348 H448 N24 O16 Zn4 -","4","1","","Maeda, Chihiro; Shinokubo, Hiroshi; Osuka, Atsuhiro","meso,meso'-Bis(5-azaindol-2-yl)-appended meso-meso-linked Zn(II) diporphyrin: a discrete fluorescent assembly.","Organic letters","2009","11","22","5322","5325","10.1021/ol902294r","","","0.71073","MoKα","","0.1271","0.0937","","","0.232","0.2504","","","","","","1.046","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504286","9.3413","0.0003","10.0343","0.0002","16.9972","0.0004","90","","90","","90","","1593.21","0.07","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O6 -","- C16 H20 O6 -","- C64 H80 O24 -","4","1","","Gharpure, Santosh J.; Shukla, Manoj K.; Vijayasree, U.","Stereoselective synthesis of donor-acceptor substituted cyclopropafuranones by intramolecular cyclopropanation of vinylogous carbonates: divergent synthesis of tetrahydrofuran-3-one, tetrahydropyran-3-one, and lactones.","Organic letters","2009","11","23","5466","5469","10.1021/ol902301h","","","0.71073","MoKα","","0.0655","0.0426","","","0.1145","0.1365","","","","","","0.766","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504287","6.1758","0.0004","9.0571","0.0008","12.9827","0.001","90","","90","","90","","726.19","0.1","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H8 O4 -","- C7 H8 O4 -","- C28 H32 O16 -","4","1","","Gharpure, Santosh J.; Shukla, Manoj K.; Vijayasree, U.","Stereoselective synthesis of donor-acceptor substituted cyclopropafuranones by intramolecular cyclopropanation of vinylogous carbonates: divergent synthesis of tetrahydrofuran-3-one, tetrahydropyran-3-one, and lactones.","Organic letters","2009","11","23","5466","5469","10.1021/ol902301h","","","0.71073","MoKα","","0.0988","0.0472","","","0.1155","0.148","","","","","","0.838","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504288","5.0129","0.0002","8.5049","0.0003","15.8364","0.0006","90","","93.115","0.002","90","","674.17","0.04","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H16 O4 -","- C15 H16 O4 -","- C30 H32 O8 -","2","1","","Gharpure, Santosh J.; Shukla, Manoj K.; Vijayasree, U.","Stereoselective synthesis of donor-acceptor substituted cyclopropafuranones by intramolecular cyclopropanation of vinylogous carbonates: divergent synthesis of tetrahydrofuran-3-one, tetrahydropyran-3-one, and lactones.","Organic letters","2009","11","23","5466","5469","10.1021/ol902301h","","","0.71073","MoKα","","0.0408","0.0329","","","0.0697","0.0734","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504289","8.7638","0.0003","8.8421","0.0004","10.0304","0.0006","74.58","0.002","86.829","0.003","67.601","0.003","691.83","0.06","150","1","150","1","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C36 H32 O6 -","2","1","","Lee, Doris; Newman, Stephen G.; Taylor, Mark S.","Boron-catalyzed direct aldol reactions of pyruvic acids.","Organic letters","2009","11","23","5486","5489","10.1021/ol902322r","","","0.71073","MoKα","","0.0644","0.0485","","","0.1234","0.1375","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504290","12.587","0.003","12.897","0.004","30.669","0.007","90","","90","","90","","4979","2","123.1","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H32 N2 O3 -","- C28 H32 N2 O3 -","- C224 H256 N16 O24 -","8","1","","Shintani, Ryo; Murakami, Masataka; Tsuji, Takaoki; Tanno, Hideyuki; Hayashi, Tamio","Palladium-catalyzed decarboxylative [4 + 3] cyclization of gamma-methylidene-delta-valerolactones with 1,1-dicyanocyclopropanes.","Organic letters","2009","11","24","5642","5645","10.1021/ol902326s","","","0.71075","MoKα","","","0.063","","","","0.0786","","","","","","1.005","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504291","8.132","0.011","9.139","0.018","13.34","0.03","95.4","0.08","90.65","0.07","91.62","0.06","987","3","151.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N2 O2 -","- C24 H22 N2 O2 -","- C48 H44 N4 O4 -","2","1","","Shintani, Ryo; Murakami, Masataka; Tsuji, Takaoki; Tanno, Hideyuki; Hayashi, Tamio","Palladium-catalyzed decarboxylative [4 + 3] cyclization of gamma-methylidene-delta-valerolactones with 1,1-dicyanocyclopropanes.","Organic letters","2009","11","24","5642","5645","10.1021/ol902326s","","","0.71075","MoKα","","","0.0624","","","","0.1084","","","","","","1.188","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504292","36.79","0.006","10.2861","0.0014","10.833","0.002","90","","90","","90","","4099.5","1.2","123","2","123","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C22 H25 N O4 S -","- C22 H25 N O4 S -","- C176 H200 N8 O32 S8 -","8","2","","Shintani, Ryo; Murakami, Masataka; Tsuji, Takaoki; Tanno, Hideyuki; Hayashi, Tamio","Palladium-catalyzed decarboxylative [4 + 3] cyclization of gamma-methylidene-delta-valerolactones with 1,1-dicyanocyclopropanes.","Organic letters","2009","11","24","5642","5645","10.1021/ol902326s","","","0.71075","MoKα","","0.0525","0.0465","","","0.0952","0.0998","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504293","8.6882","0.0017","14.998","0.003","15.059","0.003","117.59","0.03","93.7","0.03","98.17","0.03","1702.4","0.8","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H20 O2 -","- C11 H20 O2 -","- C66 H120 O12 -","6","3","","Jones, Ian L.; Moore, Felicity K.; Chai, Christina L. L.","Total synthesis of (+/-)-cordypyridones A and B and related epimers.","Organic letters","2009","11","23","5526","5529","10.1021/ol9023437","","","0.71073","MoKα","","0.1071","0.0846","","","0.188","0.2071","","","","","","1.174","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504294","7.621","0.0015","8.393","0.0017","22.728","0.005","90","","90","","90","","1453.8","0.5","301","2","301","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 Cl N O -","- C18 H14 Cl N O -","- C72 H56 Cl4 N4 O4 -","4","1","","He, Wei; Yip, Kai-Tai; Zhu, Nian-Yong; Yang, Dan","Pd(II)/(t)Bu-quinolineoxazoline: an air-stable and modular chiral catalyst system for enantioselective oxidative cascade cyclization.","Organic letters","2009","11","24","5626","5628","10.1021/ol902348t","","","0.71073","MoKα","","0.0469","0.0309","","","0.0836","0.095","","","","","","0.72","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504295","9.712","0.002","20.705","0.004","9.816","0.002","90","","108.77","0.02","90","","1868.9","0.7","301","2","301","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16.5 H19 Cl3 N2 O Pd -","- C16.5 H19 Cl3 N2 O Pd -","- C66 H76 Cl12 N8 O4 Pd4 -","4","2","","He, Wei; Yip, Kai-Tai; Zhu, Nian-Yong; Yang, Dan","Pd(II)/(t)Bu-quinolineoxazoline: an air-stable and modular chiral catalyst system for enantioselective oxidative cascade cyclization.","Organic letters","2009","11","24","5626","5628","10.1021/ol902348t","","","0.71073","MoKα","","0.0364","0.0349","","","0.0866","0.0874","","","","","","1.104","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1504296","6.872","0.004","9.187","0.005","15.595","0.009","90","","97.384","0.009","90","","976.4","1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H29 N O3 -","- C20 H29 N O3 -","- C40 H58 N2 O6 -","2","1","","Wang, Xia-Chang; Zheng, Zong-Ping; Gan, Xian-Wen; Hu, Li-Hong","Jatrophalactam, a novel diterpenoid lactam isolated from Jatropha curcas.","Organic letters","2009","11","23","5522","5524","10.1021/ol902349f","","","0.71073","MoKα","","0.1238","0.0702","","","0.1766","0.199","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504297","21.754","0.003","8.501","0.0018","14.483","0.002","90","","102.299","0.011","90","","2616.9","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 N3 O3 -","- C16 H11 N3 O3 -","- C128 H88 N24 O24 -","8","1","","Yi, Chenyi; Liu, Shi-Xia; Neels, Antonia; Renaud, Philippe; Decurtins, Silvio","Preparation of zwitterionic hydroquinone-fused [1,4]oxazinium derivatives via a photoinduced intramolecular dehydrogenative-coupling reaction.","Organic letters","2009","11","23","5530","5533","10.1021/ol902355b","","","0.71073","MoKα","","0.1408","0.0882","","","0.2272","0.2586","","","","","","0.997","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504298","8.0209","0.0018","8.5834","0.0019","10.689","0.002","94.192","0.017","104.4","0.017","104.893","0.018","681.4","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N4 O4 -","- C14 H12 N4 O4 -","- C28 H24 N8 O8 -","2","1","","Yi, Chenyi; Liu, Shi-Xia; Neels, Antonia; Renaud, Philippe; Decurtins, Silvio","Preparation of zwitterionic hydroquinone-fused [1,4]oxazinium derivatives via a photoinduced intramolecular dehydrogenative-coupling reaction.","Organic letters","2009","11","23","5530","5533","10.1021/ol902355b","","","0.71073","MoKα","","0.07","0.0388","","","0.0827","0.0896","","","","","","0.864","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504299","10.595","0.002","7.426","0.003","13.938","0.002","90","","90","","90","","1096.6","0.5","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C10 H7 Br N4 O2 -","- C10 H7 Br N4 O2 -","- C40 H28 Br4 N16 O8 -","4","1","","Patriciu, Oana-Irina; Fînaru, Adriana-Luminita; Massip, Stéphane; Leger, Jean-Michel; Jarry, Christian; Guillaumet, Gérald","Smiles rearrangement as a tool for the preparation of dihydrodipyridopyrazines.","Organic letters","2009","11","23","5502","5505","10.1021/ol902369v","","","1.5418","CuKα","","0.0385","0.0376","","","0.0951","0.0963","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504300","8.638","0.001","6.38","0.001","18.833","0.003","90","","94.2","0.02","90","","1035.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 Br N4 -","- C10 H9 Br N4 -","- C40 H36 Br4 N16 -","4","1","","Patriciu, Oana-Irina; Fînaru, Adriana-Luminita; Massip, Stéphane; Leger, Jean-Michel; Jarry, Christian; Guillaumet, Gérald","Smiles rearrangement as a tool for the preparation of dihydrodipyridopyrazines.","Organic letters","2009","11","23","5502","5505","10.1021/ol902369v","","","1.5418","CuKα","","0.0556","0.0548","","","0.1562","0.1574","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504301","7.538","0.001","10.542","0.002","12.044","0.001","98.908","0.01","102.359","0.01","109.915","0.01","851.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 Br N4 O -","- C16 H19 Br N4 O -","- C32 H38 Br2 N8 O2 -","2","1","","Patriciu, Oana-Irina; Fînaru, Adriana-Luminita; Massip, Stéphane; Leger, Jean-Michel; Jarry, Christian; Guillaumet, Gérald","Smiles rearrangement as a tool for the preparation of dihydrodipyridopyrazines.","Organic letters","2009","11","23","5502","5505","10.1021/ol902369v","","","1.5418","CuKα","","0.0374","0.0359","","","0.0953","0.0972","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504302","10.2195","0.0005","13.6892","0.0007","23.5232","0.0011","90","","90","","90","","3290.8","0.3","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H43 Br Cl3 N O Si -","- C32 H43 Br Cl3 N O Si -","- C128 H172 Br4 Cl12 N4 O4 Si4 -","4","1","","Dunn, Travis B.; Ellis, J. Michael; Kofink, Christiane C.; Manning, James R.; Overman, Larry E.","Asymmetric construction of rings A-D of daphnicyclidin-type alkaloids.","Organic letters","2009","11","24","5658","5661","10.1021/ol902373m","","","0.71073","MoKα","","0.0229","0.0218","","","0.0529","0.0533","","","","","","1.04","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1504303","9.0058","0.0008","13.1391","0.0012","21.485","0.002","90","","93.277","0.002","90","","2538.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N4 O4 S -","- C28 H24 N4 O4 S -","- C112 H96 N16 O16 S4 -","4","1","","Hong, Deng; Lin, Xufeng; Zhu, Yuanxun; Lei, Ming; Wang, Yanguang","Copper-catalyzed tandem nucleophilic ring-opening/intramolecular oxidative amidation of N-tosylaziridines and hydrazones under aerobic conditions.","Organic letters","2009","11","24","5678","5681","10.1021/ol902376w","","","0.71073","MoKα","","0.0859","0.0501","","","0.1099","0.1255","","","","","","0.904","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504304","6.2054","0.0001","10.304","0.0002","21.8082","0.0006","90","","90","","90","","1394.43","0.05","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","","Presset, Marc; Coquerel, Yoann; Rodriguez, Jean","Microwave-assisted domino and multicomponent reactions with cyclic acylketenes: expeditious syntheses of oxazinones and oxazindiones.","Organic letters","2009","11","24","5706","5709","10.1021/ol9024056","","x-ray","0.71073","MoKα","","0.0642","0.0415","","","0.1176","0.1497","","","","","","1.189","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504305","9.293","0.0019","8.065","0.0016","11.846","0.002","90","","92.98","0.03","90","","886.6","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O6 -","- C19 H21 N O6 -","- C38 H42 N2 O12 -","2","1","","McGarraugh, Patrick G.; Brenner, Stacey E.","A new organocatalyzed Michael-Michael cascade reaction generates highly substituted fused carbocycles.","Organic letters","2009","11","24","5654","5657","10.1021/ol9024293","","","0.71073","MoKα","","0.0363","0.0331","","","0.0798","0.0817","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504306","9.5398","0.0018","10.677","0.002","30.01","0.006","90","","90","","90","","3056.7","1","153","","153","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","ketone 25","","- C30 H55 N O4 Si -","- C30 H55 N O4 Si -","- C120 H220 N4 O16 Si4 -","4","1","","Nakayama, Atsushi; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","First asymmetric total syntheses of fawcettimine-type Lycopodium alkaloids, lycoposerramine-C and phlegmariurine-A.","Organic letters","2009","11","23","5554","5557","10.1021/ol902437t","","","0.71073","MoKα","","0.0372","0.0321","","","0.0799","0.0897","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504307","11.298","0.002","11.271","0.002","12.235","0.002","74.563","0.003","72.728","0.003","72.866","0.003","1394.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H26 Br2 N2 O6 S2 -","- C27 H26 Br2 N2 O6 S2 -","- C54 H52 Br4 N4 O12 S4 -","2","1","","Shen, Ruwei; Huang, Xian","Unexpected multiple electrophilic addition reaction of (Z)-alk-2-en-4-ynoates with N,N-dibromo-p-toluenesulfonamide (TsNBr(2)): a highly diastereoselective synthesis of densely functionalized aziridines.","Organic letters","2009","11","24","5698","5701","10.1021/ol902446h","","","0.71073","MoKα","","0.0824","0.0657","","","0.1858","0.2017","","","","","","1.096","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504308","7.1285","0.0011","11.5022","0.0019","13.676","0.002","98.695","0.003","90.13","0.003","101.33","0.003","1086.3","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H19 Br2 N O5 S -","- C20 H19 Br2 N O5 S -","- C40 H38 Br4 N2 O10 S2 -","2","1","","Shen, Ruwei; Huang, Xian","Unexpected multiple electrophilic addition reaction of (Z)-alk-2-en-4-ynoates with N,N-dibromo-p-toluenesulfonamide (TsNBr(2)): a highly diastereoselective synthesis of densely functionalized aziridines.","Organic letters","2009","11","24","5698","5701","10.1021/ol902446h","","","0.71073","MoKα","","0.1141","0.0855","","","0.2308","0.2467","","","","","","1.004","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504309","7.7972","0.0017","17.906","0.004","22.658","0.005","90","","94.622","0.004","90","","3153.1","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 Br3 N2 O6 S2 -","- C27 H27 Br3 N2 O6 S2 -","- C108 H108 Br12 N8 O24 S8 -","4","1","","Shen, Ruwei; Huang, Xian","Unexpected multiple electrophilic addition reaction of (Z)-alk-2-en-4-ynoates with N,N-dibromo-p-toluenesulfonamide (TsNBr(2)): a highly diastereoselective synthesis of densely functionalized aziridines.","Organic letters","2009","11","24","5698","5701","10.1021/ol902446h","","","0.71073","MoKα","","0.1455","0.0701","","","0.1611","0.1756","","","","","","0.89","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504310","9.6975","0.001","17.478","0.0019","9.6297","0.001","90","","93.354","0.005","90","","1629.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O5 -","- C17 H16 N2 O5 -","- C68 H64 N8 O20 -","4","1","","Gou, Fa-Rong; Wang, Xiang-Chuan; Huo, Peng-Fei; Bi, Hai-Peng; Guan, Zheng-Hui; Liang, Yong-Min","Palladium-catalyzed aryl C-H bonds activation/acetoxylation utilizing a bidentate system.","Organic letters","2009","11","24","5726","5729","10.1021/ol902497k","","","0.71073","MoKα","","0.0614","0.0398","","","0.1341","0.1594","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504311","6.7916","0.0006","8.2807","0.0007","23.6999","0.0019","90","","90","","90","","1332.86","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Cl F3 O3 -","- C13 H12 Cl F3 O3 -","- C52 H48 Cl4 F12 O12 -","4","1","","Zhao, Jun-Feng; Tjan, Teguh-Budiono W; Tan, Boon-Hong; Loh, Teck-Peng","Highly enantioselective ketone-ene reactions of trifluoropyruvate: significant counterion effect of the In(III)-pybox complex.","Organic letters","2009","11","24","5714","5716","10.1021/ol902507x","","","0.71073","MoKα","","0.0538","0.0407","","","0.1175","0.1318","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504312","6.8098","0.0004","8.2633","0.0006","23.9486","0.0018","90","","90","","90","","1347.62","0.16","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Br F3 O3 -","- C13 H12 Br F3 O3 -","- C52 H48 Br4 F12 O12 -","4","1","","Zhao, Jun-Feng; Tjan, Teguh-Budiono W; Tan, Boon-Hong; Loh, Teck-Peng","Highly enantioselective ketone-ene reactions of trifluoropyruvate: significant counterion effect of the In(III)-pybox complex.","Organic letters","2009","11","24","5714","5716","10.1021/ol902507x","","","0.71073","MoKα","","0.1231","0.049","","","0.09","0.1143","","","","","","0.985","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505668","8.2971","0.0017","9.7116","0.0019","14.452","0.003","81","0.03","81.81","0.03","66.27","0.03","1048.9","0.4","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H17 F4 N3 O5 S -","- C22 H17 F4 N3 O5 S -","- C44 H34 F8 N6 O10 S2 -","2","1","","Hashimoto, Akihiro; Pais, Godwin C. G.; Wang, Qiuping; Lucien, Edlaine; Incarvito, Christopher D.; Deshpande, Milind; Bradbury, Barton J.; Wiles, Jason A.","Practical Synthesis and Molecular Structure of a Potent Broad-Spectrum Antibacterial Isothiazoloquinolone","Organic Process Research & Development","2007","11","3","389","","10.1021/op700014t","","","0.71073","MoKα","","0.0887","0.0533","","","0.1352","0.1499","","","","","","1.067","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505669","8.6649","0.0017","9.1625","0.0018","14.151","0.003","79.77","0.03","74.02","0.03","74.16","0.03","1032.7","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 F8 N2 O7 S -","- C18 H12 F8 N2 O7 S -","- C36 H24 F16 N4 O14 S2 -","2","1","","Hashimoto, Akihiro; Pais, Godwin C. G.; Wang, Qiuping; Lucien, Edlaine; Incarvito, Christopher D.; Deshpande, Milind; Bradbury, Barton J.; Wiles, Jason A.","Practical Synthesis and Molecular Structure of a Potent Broad-Spectrum Antibacterial Isothiazoloquinolone","Organic Process Research & Development","2007","11","3","389","","10.1021/op700014t","","","0.71073","MoKα","","0.0811","0.0598","","","0.1742","0.1858","","","","","","1.262","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505670","24.528","0.005","7.134","0.0014","21.125","0.004","90","","114.89","0.03","90","","3353.2","1.4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 F2 N O6 S -","- C17 H17 F2 N O6 S -","- C136 H136 F16 N8 O48 S8 -","8","2","","Hashimoto, Akihiro; Pais, Godwin C. G.; Wang, Qiuping; Lucien, Edlaine; Incarvito, Christopher D.; Deshpande, Milind; Bradbury, Barton J.; Wiles, Jason A.","Practical Synthesis and Molecular Structure of a Potent Broad-Spectrum Antibacterial Isothiazoloquinolone","Organic Process Research & Development","2007","11","3","389","","10.1021/op700014t","","","0.71073","MoKα","","0.1526","0.0778","","","0.1743","0.2018","","","","","","1.042","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505671","8.8361","0.0018","9.6639","0.0019","10.439","0.002","101.76","0.03","99.69","0.03","113.51","0.03","768.7","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 F2 N O4 S -","- C16 H15 F2 N O4 S -","- C32 H30 F4 N2 O8 S2 -","2","1","","Hashimoto, Akihiro; Pais, Godwin C. G.; Wang, Qiuping; Lucien, Edlaine; Incarvito, Christopher D.; Deshpande, Milind; Bradbury, Barton J.; Wiles, Jason A.","Practical Synthesis and Molecular Structure of a Potent Broad-Spectrum Antibacterial Isothiazoloquinolone","Organic Process Research & Development","2007","11","3","389","","10.1021/op700014t","","","0.71073","MoKα","","0.07","0.0507","","","0.1459","0.1581","","","","","","1.089","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505672","30.683","0.005","30.683","0.005","8.352","0.002","90","","90","","90","","7863","3","193","2","193","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C16 H29 Cl N4 O4 -","- C16 H29 Cl N4 O4 -","- C256 H464 Cl16 N64 O64 -","16","1","","Barkalow, Jufang H.; Breting, Jeffrey; Gaede, Bruce J.; Haight, Anthony R.; Henry, Rodger; Kotecki, Brian; Mei, Jianzhang; Pearl, Kurt B.; Tedrow, Jason S.; Viswanath, Shekhar K.","Process Development for ABT-472, a Benzimidazole PARP Inhibitor","Organic Process Research & Development","2007","11","4","693","","10.1021/op7000194","","","0.71073","MoKα","","0.0658","0.0563","","","0.152","0.1617","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505673","17.36","0.004","9.944","0.002","18.696","0.004","90","","108.13","0.03","90","","3067.2","1.3","100","2","100","2","","","","","","","Synthetic","5","P 1 21 1","P 2yb","4","","(R)-7-Benzyloxy-2-methyl-4-(4-methylsulfanyl-phenyl)- 1,2,3,4-tetrahydro-isoquinoline (S)-(S)-2,3-Bis-(4-methyl-benzoyloxy)-succinic acid","","- C69 H71 N2 O11 S2 -","- C69 H71 N2 O11 S2 -","- C138 H142 N4 O22 S4 -","2","1","","Deng, Xiaohu; Liang, Jimmy T.; Liu, Jing; McAllister, Heather; Schubert, Carsten; Mani, Neelakandha S.","A Practical Synthesis of Enantiopure 7-Alkoxy-4-aryl-tetrahydroisoquinoline, a Dual Serotonin Reuptake Inhibitor/Histamine H3Antagonist","Organic Process Research & Development","2007","11","6","1043","","10.1021/op700183q","","x-ray","1.54178","CuKα","","0.0481","0.0479","","","0.1167","0.117","","","","","","1.201","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508228","13.7114","","12.7315","","18.5706","","90","","90.01","","90","","3241.81","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","AlPO-18, Calcined","","- Al24 O96 P24 -","- Al24 O96 P24 -","- Al24 O96 P24 -","1","0.125","","Simmen, A.; McCusker, L.B.; Baerlocher, Ch.; Meier, W.M.","The structure determination and rietveld refinement of the aluminophosphate AIPO4-18","Zeolites","1991","11","7","654","661","10.1016/S0144-2449(05)80167-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1509377","3.6","","3.6","","3.6","","90","","90","","90","","46.656","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ag Ho -","- Ag Ho -","- Ag Ho -","1","0.0208333","","Gebhardt, E.; von Erdberg, M.","Das System Silber-Holmium","Journal of the Less-Common Metals","1966","11","","141","147","10.1016/0022-5088(66)90079-8","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509522","5.506","","5.506","","5.506","","90","","90","","90","","166.92","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ag Sn S2","","- Ag S2 Sn -","- Ag S2 Sn -","- Ag2 S4 Sn2 -","2","0.0104167","","Wold, A.; Brec, R.","Structure Na Cl des phases Agx Sn1-x X (X= S, Se, Te)","Materials Research Bulletin","1976","11","","761","766","10.1016/0025-5408(76)90156-2","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509857","4.101","","4.101","","4.101","","90","","90","","90","","68.971","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ag97 Pb3)0.04","","- Ag3.88 Pb0.12 -","- Ag3.88 Pb0.12 -","- Ag3.88 Pb0.12 -","1","0.00520833","","Mamedova, S.Kh.; Kerimov, B.R.; Akopyan, R.A.","Investigation of the retrograde solidus curves in the Ag-Pb and Ag-Bi systems","Izvestiya Vysshikh Uchebnykh Zavedenii, Tsvetnaya Metallurgiya","1983","11","","476","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510290","6.08","","6.08","","6.08","","90","","90","","90","","224.756","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Au Sb3 -","- Au Sb3 -","- Au2 Sb6 -","2","0.0208333","","Tyrina, L.V.; Palatnik, L.S.; Kosevich, V.M.","Electron diffraction examination of metastable phases in the alloys Au-Sb, In-Sb, In-Bi and In-Bi-Sb","Fizika Metallov i Metallovedenie","1961","11","","229","235","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510383","2.887","","2.887","","4.741","","90","","90","","120","","34.221","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","(Au0.68 Cu0.12 In0.2)","","- Au0.68 Cu0.12 In0.2 -","- Au0.68 Cu0.12 In0.2 -","- Au1.36 Cu0.24 In0.4 -","2","0.0833333","","Massalski, T.B.; Isaacs, L.L.; King, H.W.","Axial ratio changes in h.c.p. zeta phases in the systems Au-In-Cu and Cu-Gr-Au","Acta Metallurgica","1963","11","","1355","1361","10.1016/0001-6160(63)90030-0","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510819","9.579","","7.459","","3.072","","90","","90","","90","","219.494","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","W1.75 Ru1.25 B2","","- B2 Ru1.25 W1.75 -","- B2 Ru1.25 W1.75 -","- B8 Ru5 W7 -","4","0.5","","Rogl, P.; Nowotny, H.","Neue Phasen mit Mo2 Ir B2-Typ","Revue de Chimie Minerale","1974","11","","547","555","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511345","4.23","","4.23","","4.23","","90","","90","","90","","75.687","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Ti4 N3 B2)0.8","","- B1.6 N2.4 Ti3.2 -","- B1.6 N2.4 Ti3.2 -","- B1.6 N2.4 Ti3.2 -","1","0.00520833","","Bausova, N.V.; Zainulin, Yu.G.; Alyamovskii, S.I.; Shveikin, G.P.; Gel'd, P.V.","Lattice defects in the cubic (NaCl-type) boronitrides of zirconium and titanium","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1975","11","","148","149","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511469","10.994","","9.017","","4.3073","","90","","90","","90","","426.995","","","","","","","","","","","","","3","P m n b","-P 2bc 2a","62","","Ba (B4 O7)","","- B4 Ba O7 -","- B4 Ba O7 -","- B16 Ba4 O28 -","4","0.5","","Schnick, W.; Knyrim, J.S.; Roemer, S.R.; Huppertz, H.","High pressure synthesis and characterization of the alkaline earth borate beta-Ba B4 O7","Solid State Sciences","2009","11","","336","342","10.1016/j.solidstatesciences.2008.07.015","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511599","10.652","","10.652","","10.652","","90","","90","","90","","1208.63","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Er1.82 Ni21 B6","","- B6 Er1.82 Ni21 -","- B6 Er1.814 Ni21 -","- B24 Er7.256 Ni84 -","4","0.0208333","","Schnelle, W.; Leithe-Jasper, A.; Kuz'ma, Yu.; Gumeniuk, R.; Rosner, H.; Prots', Yu.; Burkhardt, U.; Veremchuk, I.","Crystallographic and physical properties of RE(2-x) Ni21 B6 (RE = Er, Yb and Lu)","Solid State Sciences","2009","11","","507","512","10.1016/j.solidstatesciences.2008.09.004","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511620","10.6269","","10.6269","","10.6269","","90","","90","","90","","1200.11","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Lu1.65 Ni21 B6","","- B6 Lu1.65 Ni21 -","- B6 Lu1.652 Ni21 -","- B24 Lu6.608 Ni84 -","4","0.0208333","","Gumeniuk, R.; Schnelle, W.; Kuz'ma, Yu.; Prots', Yu.; Veremchuk, I.; Rosner, H.; Burkhardt, U.; Leithe-Jasper, A.","Crystallographic and physical properties of RE(2-x) Ni21 B6 (RE = Er, Yb and Lu)","Solid State Sciences","2009","11","","507","512","10.1016/j.solidstatesciences.2008.09.004","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511631","10.6243","","10.6243","","10.6243","","90","","90","","90","","1199.23","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Yb1.70 Ni21 B6","","- B6 Ni21 Yb1.7 -","- B6 Ni21 Yb1.7 -","- B24 Ni84 Yb6.8 -","4","0.0208333","","Leithe-Jasper, A.; Veremchuk, I.; Schnelle, W.; Kuz'ma, Yu.; Burkhardt, U.; Rosner, H.; Prots', Yu.; Gumeniuk, R.","Crystallographic and physical properties of RE(2-x) Ni21 B6 (RE = Er, Yb and Lu)","Solid State Sciences","2009","11","","507","512","10.1016/j.solidstatesciences.2008.09.004","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511639","12.284","","12.284","","9.268","","90","","90","","120","","1211.15","","","","","","","","","","","","","5","R -3 :H","-R 3","148","","Sr6 Y Sc (B O3)6","","- B6 O18 Sc Sr6 Y -","- B6 O18 Sc Sr6 Y -","- B18 O54 Sc3 Sr18 Y3 -","3","0.166667","","Jin, A.-D.; Lin, X.-T.; Huang, J.-F.","Preparation and crystal structure of a new borate Sr6YSc(BO3)6","Jiegon Huaxue","1992","11","","196","199","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511760","7.584","0.001","10.07","0.002","10.389","0.002","88.01","0.02","69.81","0.02","72.6","0.01","708.5","0.2","293","2","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H31 Cr N2 O18 -","- C22 H31 Cr N2 O18 -","- C22 H31 Cr N2 O18 -","1","0.5","","Miguel Quirós; David M. L. Goodgame; David J. Williams","Crystal Structure and EPR Spectrum of Bispyridinium Bis(citrato)chromium(III) Tetrahydrate","Polyhedron","1992","11","","1343","1348","10.1016/S0277-5387(00)83364-1","","","1.54178","CuKα","","0.0375","0.035","","","","0.038","","","","","","1.54","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513987","8.0445","","8.0445","","8.0445","","90","","90","","90","","520.592","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Lithium Manganese Oxide (0.05/2/4)","","- Li0.05 Mn2 O4 -","- Li0.05 Mn2 O4 -","- Li0.4 Mn16 O32 -","8","0.0416667","","Cho, N. W.; Chang, S.; Sung, H. P.","Synthesis and crystal structure refinement of Li Mn(2-d) Ti(d) O4","RIST Yongu Nonmun (RIST Research Papers)","1997","11","","622","628","","","","","","","","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1513988","8.2363","","8.2363","","8.2363","","90","","90","","90","","558.723","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Lithium Manganese(III) Manganese(IV) Oxide","","- Li Mn2 O4 -","- Li Mn2 O4 -","- Li8 Mn16 O32 -","8","0.0416667","","Cho, N. W.; Chang, S.; Sung, H. P.","Synthesis and crystal structure refinement of Li Mn(2-d) Ti(d) O4","RIST Yongu Nonmun (RIST Research Papers)","1997","11","","622","628","","","","","","","0.022","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1514187","21.452","0.005","21.452","0.005","13.2","0.003","90","","90","","90","","6074","2","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C20 H14 N2 O -","- C20 H14 N2 O -","- C320 H224 N32 O16 -","16","1","","Barilli, Amelia; Atzeri, Corrado; Bassanetti, Irene; Ingoglia, Filippo; Dall'asta, Valeria; Bussolati, Ovidio; Maffini, Monica; Mucchino, Claudio; Marchio, Luciano","Oxidative stress induced by copper and iron complexes with 8-hydroxyquinoline derivatives causes paraptotic death of HeLa cancer cells.","Molecular pharmaceutics","2014","11","4","1151","","10.1021/mp400592n","","","0.71073","MoKα","","0.0923","0.0522","","","0.1108","0.1305","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514188","7.432","0.002","10.432","0.002","10.526","0.002","74.242","0.003","77.299","0.003","72.252","0.003","739.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C36 H34 N2 O4 -","2","1","","Barilli, Amelia; Atzeri, Corrado; Bassanetti, Irene; Ingoglia, Filippo; Dall'asta, Valeria; Bussolati, Ovidio; Maffini, Monica; Mucchino, Claudio; Marchio, Luciano","Oxidative stress induced by copper and iron complexes with 8-hydroxyquinoline derivatives causes paraptotic death of HeLa cancer cells.","Molecular pharmaceutics","2014","11","4","1151","","10.1021/mp400592n","","","0.71073","MoKα","","0.085","0.041","","","0.0904","0.1087","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514189","9.952","0.001","13.391","0.002","10.197","0.001","90","0.005","99.739","0.002","90","0.005","1339.3","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Barilli, Amelia; Atzeri, Corrado; Bassanetti, Irene; Ingoglia, Filippo; Dall'asta, Valeria; Bussolati, Ovidio; Maffini, Monica; Mucchino, Claudio; Marchio, Luciano","Oxidative stress induced by copper and iron complexes with 8-hydroxyquinoline derivatives causes paraptotic death of HeLa cancer cells.","Molecular pharmaceutics","2014","11","4","1151","","10.1021/mp400592n","","","0.71073","MoKα","","0.056","0.0399","","","0.1037","0.1146","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514190","24.782","0.007","7.293","0.002","15.647","0.004","90","","92.667","0.004","90","","2824.9","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H28 Cu N2 O4 -","- C36 H28 Cu N2 O4 -","- C144 H112 Cu4 N8 O16 -","4","0.5","","Barilli, Amelia; Atzeri, Corrado; Bassanetti, Irene; Ingoglia, Filippo; Dall'asta, Valeria; Bussolati, Ovidio; Maffini, Monica; Mucchino, Claudio; Marchio, Luciano","Oxidative stress induced by copper and iron complexes with 8-hydroxyquinoline derivatives causes paraptotic death of HeLa cancer cells.","Molecular pharmaceutics","2014","11","4","1151","","10.1021/mp400592n","","","0.71073","MoKα","","0.1171","0.059","","","0.1236","0.1475","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1514191","10.167","0.001","21.499","0.001","12.025","0.001","90","","93.542","0.002","90","","2623.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Cu N2 O4 -","- C34 H24 Cu N2 O4 -","- C136 H96 Cu4 N8 O16 -","4","1","","Barilli, Amelia; Atzeri, Corrado; Bassanetti, Irene; Ingoglia, Filippo; Dall'asta, Valeria; Bussolati, Ovidio; Maffini, Monica; Mucchino, Claudio; Marchio, Luciano","Oxidative stress induced by copper and iron complexes with 8-hydroxyquinoline derivatives causes paraptotic death of HeLa cancer cells.","Molecular pharmaceutics","2014","11","4","1151","","10.1021/mp400592n","","","0.71073","MoKα","","0.0481","0.0356","","","0.0952","0.1024","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515310","10.6241","0.0008","9.6218","0.0007","22.951","0.0016","90","","93.646","0.002","90","","2341.4","0.3","171","2","171","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 N2 O2 -","- C28 H32 N2 O2 -","- C112 H128 N8 O8 -","4","1","","Bergen, Anna; Bohne, Cornelia; Fuentealba, Denis; Ihmels, Heiko; Pace, Tamara C. S.; Waidelich, Michael; Yihwa, Chang; Willem Bats, Jan","Studies of the solvatochromic emission properties of N-aroylurea derivatives I: Influence of the substitution pattern.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","4","752","767","10.1039/c2pp05386a","","","0.71073","MoKα","","0.237","0.1095","","","0.1316","0.1627","","","","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515311","29.964","0.008","12.267","0.003","10.108","0.003","90","","95.426","0.009","90","","3698.7","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 N O2 -","- C25 H16.5 N O2 -","- C200 H132 N8 O16 -","8","2","","Chowdhury, Nilanjana; Dutta, Sansa; Dasgupta, Swagata; Singh, N. D. Pradeep; Baidya, Mithu; Ghosh, S. K.","Synthesis, photophysical, photochemical, DNA cleavage/binding and cytotoxic properties of pyrene oxime ester conjugates.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","7","1239","1250","10.1039/c2pp25033k","","","0.71073","MoKα","","0.3717","0.0892","","","0.131","0.2291","","","","","","0.921","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515312","12.847","0.005","8.845","0.004","32.399","0.013","90","","90","","90","","3682","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H17 N O2 -","- C25 H17 N O2 -","- C200 H136 N8 O16 -","8","1","","Chowdhury, Nilanjana; Dutta, Sansa; Dasgupta, Swagata; Singh, N. D. Pradeep; Baidya, Mithu; Ghosh, S. K.","Synthesis, photophysical, photochemical, DNA cleavage/binding and cytotoxic properties of pyrene oxime ester conjugates.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","7","1239","1250","10.1039/c2pp25033k","","","0.71073","MoKα","","0.1192","0.0535","","","0.1219","0.1569","","","","","","0.961","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515313","5.07","0.001","22.07","0.004","8.31","0.0017","90","","100.85","0.03","90","","913.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ThyAcetate","Thymine Acetate","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C32 H40 N8 O16 -","4","1","","Johnston, Priscilla; Izgorodina, Ekaterina I.; Saito, Kei","The interplay between hydrogen bonding and π-π stacking interactions in the crystal packing of N1-thyminyl derivatives, and implications for the photo-chemical [2π + 2π]-cycloaddition of thyminyl compounds.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","12","1938","1951","10.1039/c2pp25228g","","","0.71068","synchrotron","","0.0524","0.0469","","","0.1204","0.1247","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515314","8.927","0.0018","14.369","0.003","7.764","0.0016","90","","90.6","0.03","90","","995.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ThyPropOate","ThyPropOate","","- C9 H12 N2 O4 -","- C9 H12 N2 O4 -","- C36 H48 N8 O16 -","4","1","","Johnston, Priscilla; Izgorodina, Ekaterina I.; Saito, Kei","The interplay between hydrogen bonding and π-π stacking interactions in the crystal packing of N1-thyminyl derivatives, and implications for the photo-chemical [2π + 2π]-cycloaddition of thyminyl compounds.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","12","1938","1951","10.1039/c2pp25228g","","","0.71253","synchrotron","","0.087","0.0841","","","0.2074","0.2106","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515315","4.913","0.001","20.405","0.004","8.592","0.0017","90","","101.9","0.03","90","","842.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Thymine PropOic","Thymine propanoic acid","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C32 H40 N8 O16 -","4","1","","Johnston, Priscilla; Izgorodina, Ekaterina I.; Saito, Kei","The interplay between hydrogen bonding and π-π stacking interactions in the crystal packing of N1-thyminyl derivatives, and implications for the photo-chemical [2π + 2π]-cycloaddition of thyminyl compounds.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","12","1938","1951","10.1039/c2pp25228g","","","0.71072","synchrotron","","0.0601","0.0577","","","0.1552","0.1568","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515316","7.3571","0.0015","15.243","0.003","15.854","0.003","90","","90.18","0.03","90","","1777.9","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ThyPropAmide","ThyPropAmide","","- C8 H11 N3 O3 -","- C8 H11 N3 O3 -","- C64 H88 N24 O24 -","8","2","","Johnston, Priscilla; Izgorodina, Ekaterina I.; Saito, Kei","The interplay between hydrogen bonding and π-π stacking interactions in the crystal packing of N1-thyminyl derivatives, and implications for the photo-chemical [2π + 2π]-cycloaddition of thyminyl compounds.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","12","1938","1951","10.1039/c2pp25228g","","","0.71073","MoKα","","0.0539","0.037","","","0.0814","0.0891","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515317","7.6","0.0015","8.9","0.0018","9.45","0.0019","96.93","0.03","111.13","0.03","101.53","0.03","571.1","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","ButBisThyPropOic_Compound9","ButBisThyPropOic","","- C20 H30 N4 O10 -","- C20 H30 N4 O10 -","- C20 H30 N4 O10 -","1","0.5","","Johnston, Priscilla; Izgorodina, Ekaterina I.; Saito, Kei","The interplay between hydrogen bonding and π-π stacking interactions in the crystal packing of N1-thyminyl derivatives, and implications for the photo-chemical [2π + 2π]-cycloaddition of thyminyl compounds.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","12","1938","1951","10.1039/c2pp25228g","","","0.71069","synchrotron","","0.0536","0.0502","","","0.1319","0.1346","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515318","9.569","0.0019","17.605","0.004","10.472","0.002","90","","114.97","0.03","90","","1599.2","0.7","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H34 Cl2 N4 O4 Zn -","- C35 H34 Cl2 N4 O4 Zn -","- C70 H68 Cl4 N8 O8 Zn2 -","2","1","","Jesorka, Aldo; Holzwarth, Alfred R.; Eichhöfer, Andreas; Reddy, Chilla Malla; Kinoshita, Yusuke; Tamiaki, Hitoshi; Katterle, Martin; Naubron, Jean-Valère; Balaban, Teodor Silviu","Water coordinated zinc dioxo-chlorin and porphyrin self-assemblies as chlorosomal mimics: variability of supramolecular interactions.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","1069","1080","10.1039/c2pp25016k","","","0.71073","MoKα","","0.0283","0.0277","","","0.0752","0.0758","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515319","8.4036","0.0017","15.247","0.003","19.754","0.004","81.67","0.03","85.68","0.03","77.22","0.03","2439.9","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H58 N4 O3 Zn -","- C52 H58 N4 O3 Zn -","- C104 H116 N8 O6 Zn2 -","2","1","","Jesorka, Aldo; Holzwarth, Alfred R.; Eichhöfer, Andreas; Reddy, Chilla Malla; Kinoshita, Yusuke; Tamiaki, Hitoshi; Katterle, Martin; Naubron, Jean-Valère; Balaban, Teodor Silviu","Water coordinated zinc dioxo-chlorin and porphyrin self-assemblies as chlorosomal mimics: variability of supramolecular interactions.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","1069","1080","10.1039/c2pp25016k","","","0.7","synchrotron","","0.1596","0.1021","","","0.2238","0.2523","","","","","","1.067","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515320","10.232","0.006","12.112","0.007","12.792","0.008","76.697","0.014","79.053","0.019","81.737","0.019","1506.4","1.6","123","","123","","","","","","","","","5","P 1","P 1","1","","","","- C35 H38 N4 Ni O5 -","- C35 H38 N4 Ni O5 -","- C70 H76 N8 Ni2 O10 -","2","2","","Tamiaki, Hitoshi; Okamoto, Yukihiro; Mikata, Yuji; Shoji, Sunao","Photooxidative cleavage of zinc 20-substituted chlorophyll derivatives: conformationally P-helix-favored formation of regioselectively 19-20 opened linear tetrapyrroles.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","898","907","10.1039/c1pp05301a","","","0.7107","MoKα","","","0.0579","","","","0.1461","","","","","","0.991","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515321","6.4052","0.0004","7.0492","0.0005","29.396","0.002","90","","90","","90","","1327.27","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N -","- C17 H21 N -","- C68 H84 N4 -","4","1","","Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst","Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","908","913","10.1039/c1pp05298e","","","0.71073","MoKα","","0.0546","0.0429","","","0.0889","0.0926","","","","","","1.152","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515322","6.4759","0.0005","33.28","0.002","6.8092","0.0003","90","","116.291","0.006","90","","1315.7","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 F N -","- C17 H20 F N -","- C68 H80 F4 N4 -","4","1","","Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst","Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","908","913","10.1039/c1pp05298e","","","0.71073","MoKα","","0.077","0.0503","","","0.1027","0.1117","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515323","27.27","0.003","6.4963","0.0003","16.418","0.002","90","","107.59","0.008","90","","2772.5","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 Cl N -","- C17 H20 Cl N -","- C136 H160 Cl8 N8 -","8","1","","Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst","Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","908","913","10.1039/c1pp05298e","","","0.71073","MoKα","","0.0395","0.0317","","","0.0803","0.0854","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515324","27.68","0.003","6.5071","0.0003","16.548","0.002","90","","108.15","0.008","90","","2832.3","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 Br N -","- C17 H20 Br N -","- C136 H160 Br8 N8 -","8","1","","Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst","Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","908","913","10.1039/c1pp05298e","","","0.71073","MoKα","","0.0431","0.0268","","","0.053","0.057","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515325","6.7598","0.0004","6.7421","0.0002","15.7289","0.0005","90","","93.646","0.004","90","","715.4","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O -","- C18 H23 N O -","- C36 H46 N2 O2 -","2","1","","Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst","Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","908","913","10.1039/c1pp05298e","","","0.71073","MoKα","","0.0405","0.0369","","","0.0986","0.1005","","","","","","1.149","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515326","9.2529","0.0009","15.6034","0.0008","12.4998","0.001","90","","91.055","0.009","90","","1804.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cl N -","- C22 H28 Cl N -","- C88 H112 Cl4 N4 -","4","1","","Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst","Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","908","913","10.1039/c1pp05298e","","","0.71073","MoKα","","0.0555","0.0417","","","0.091","0.0968","","","","","","1.136","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515327","9.6458","0.0008","15.645","0.002","12.6055","0.0007","90","","91.295","0.006","90","","1901.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 Cl N -","- C23 H30 Cl N -","- C92 H120 Cl4 N4 -","4","1","","Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst","Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","908","913","10.1039/c1pp05298e","","","0.71073","MoKα","","0.0663","0.0468","","","0.1023","0.11","","","","","","1.07","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515328","11.276","0.001","12.1","0.001","20.803","0.002","90","","90","","90","","2838.4","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C34 H42 Cl2 N2 -","- C34 H42 Cl2 N2 -","- C136 H168 Cl8 N8 -","4","1","","Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst","Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","908","913","10.1039/c1pp05298e","","","0.71073","MoKα","","0.0611","0.039","","","0.0747","0.0808","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515329","6.4218","0.0005","10.3","0.002","10.942","0.001","84.03","0.02","82.99","0.01","83.11","0.01","710.22","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H42 Cl2 N2 -","- C34 H42 Cl2 N2 -","- C34 H42 Cl2 N2 -","1","0.5","","Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst","Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","908","913","10.1039/c1pp05298e","","","0.71073","MoKα","","0.0864","0.0522","","","0.1157","0.1288","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515330","11.339","","30.546","","13.56","","90","","100.98","","90","","4610.68","","213","2","213","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C46 H61 B F2 N4 O11 -","- C46 H61 B F2 N4 O11 -","- C184 H244 B4 F8 N16 O44 -","4","1","","Batat, Pinar; Vives, Guillaume; Bofinger, Robin; Chang, Ren-Wei; Kauffmann, Brice; Oda, Reiko; Jonusauskas, Gediminas; McClenaghan, Nathan D.","Dynamics of ion-regulated photoinduced electron transfer in BODIPY-BAPTA conjugates","Photochemical & Photobiological Sciences","2012","11","11","1666","","10.1039/c2pp25130b","","","1.54178","CuKα","","0.2002","0.1351","","","0.3753","0.4437","","","","","","1.526","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515331","31.941","0.006","13.922","0.003","23.065","0.005","90","","101.67","0.03","90","","10045","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H59 B F2 N4 O10 -","- C50 H59 B F2 N4 O10 -","- C400 H472 B8 F16 N32 O80 -","8","1","","Batat, Pinar; Vives, Guillaume; Bofinger, Robin; Chang, Ren-Wei; Kauffmann, Brice; Oda, Reiko; Jonusauskas, Gediminas; McClenaghan, Nathan D.","Dynamics of ion-regulated photoinduced electron transfer in BODIPY-BAPTA conjugates","Photochemical & Photobiological Sciences","2012","11","11","1666","","10.1039/c2pp25130b","","","1.54178","CuKα","","0.1743","0.1475","","","0.4223","0.4489","","","","","","1.821","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517277","10.3994","0.0002","12.5671","0.0002","12.064","0.0002","90","","90","","90","","1576.65","0.05","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Codeine Monohydrate","(5a,6a)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol monohydrate","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Insights into hydrate formation and stability of morphinanes from a combination of experimental and computational approaches.","Molecular pharmaceutics","2014","11","9","3145","3163","10.1021/mp500334z","","x-ray","1.5418","CuKα","","0.0307","0.03","","","0.0782","0.0789","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517278","6.7621","0.0005","12.9315","0.0009","20.308","0.0014","90","","90","","90","","1775.8","0.2","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Codeine Hydrochloride Dihydrate","(5a,6a)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol hydrochloride dihydrate","","- C18 H26 Cl N O5 -","- C18 H26 Cl N O5 -","- C72 H104 Cl4 N4 O20 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Insights into hydrate formation and stability of morphinanes from a combination of experimental and computational approaches.","Molecular pharmaceutics","2014","11","9","3145","3163","10.1021/mp500334z","","x-ray","0.71073","MoKα","","0.0287","0.0257","","","0.0637","0.0647","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517279","7.14435","0.00017","13.2304","0.0003","16.5408","0.0004","90","","90","","90","","1563.48","0.06","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Codeine Hydrochloride Anhydrate I","(5a,6a)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol hydrochloride","","- C18 H22 Cl N O3 -","- C18 H22 Cl N O3 -","- C72 H88 Cl4 N4 O12 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Insights into hydrate formation and stability of morphinanes from a combination of experimental and computational approaches.","Molecular pharmaceutics","2014","11","9","3145","3163","10.1021/mp500334z","","x-ray","0.71073","MoKα","","0.032","0.0298","","","0.0727","0.0739","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517280","7.08246","0.00018","13.1493","0.0003","18.0581","0.0005","90","","90","","90","","1681.74","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Ethylmorphine Monohydrate","(5a,6a)-7,8-didehydro-4,5-epoxy-3-ethoxy-17-methylmorphinan-6-ol","","- C19 H25 N O4 -","- C19 H25 N O4 -","- C76 H100 N4 O16 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Insights into hydrate formation and stability of morphinanes from a combination of experimental and computational approaches.","Molecular pharmaceutics","2014","11","9","3145","3163","10.1021/mp500334z","","x-ray","0.71073","MoKα","","0.0334","0.0308","","","0.0725","0.0738","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517281","6.8715","0.0002","13.3924","0.0004","20.4176","0.0005","90","","90","","90","","1878.95","0.09","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Ethylmorphine Hydrochloride Dihydrate","(5a,6a)-7,8-didehydro-4,5-epoxy-3-ethoxy-17-methylmorphinan-6-ol hydrochloride dihydrate","","- C19 H28 Cl N O5 -","- C19 H28 Cl N O5 -","- C76 H112 Cl4 N4 O20 -","4","1","","Braun, Doris E.; Gelbrich, Thomas; Kahlenberg, Volker; Griesser, Ulrich J.","Insights into hydrate formation and stability of morphinanes from a combination of experimental and computational approaches.","Molecular pharmaceutics","2014","11","9","3145","3163","10.1021/mp500334z","","x-ray","1.5418","CuKα","","0.043","0.0397","","","0.1055","0.1085","","","","","","0.98","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517742","7.525","0.003","12.138","0.004","12.231","0.004","73.505","0.006","80.547","0.006","80.693","0.006","1048.8","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 Cl2 N5 O4 -","- C21 H19 Cl2 N5 O4 -","- C42 H38 Cl4 N10 O8 -","2","1","","Surov, Artem O.; Voronin, Alexander P.; Manin, Alex N.; Manin, Nikolay G.; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Perlovich, German L.","Pharmaceutical cocrystals of diflunisal and diclofenac with theophylline.","Molecular pharmaceutics","2014","11","10","3707","3715","10.1021/mp5004652","","","0.71073","MoKα","","0.0868","0.0539","","","0.1239","0.1384","","","","","","0.97","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517743","7.0731","0.0004","35.014","0.002","7.6856","0.0004","90","","100.827","0.001","90","","1869.51","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 F2 N4 O5 -","- C20 H16 F2 N4 O5 -","- C80 H64 F8 N16 O20 -","4","1","","Surov, Artem O.; Voronin, Alexander P.; Manin, Alex N.; Manin, Nikolay G.; Kuzmina, Lyudmila G.; Churakov, Andrei V.; Perlovich, German L.","Pharmaceutical cocrystals of diflunisal and diclofenac with theophylline.","Molecular pharmaceutics","2014","11","10","3707","3715","10.1021/mp5004652","","","0.71073","MoKα","","0.0515","0.0394","","","0.0939","0.101","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518451","52.27","0.06","5.01","0.006","22.83","0.03","90","","105.49","0.03","90","","5761","12","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","FmocFF","","- C33 H31.75 N2 O5.88 -","- C33 H30 N2 O5.845 -","- C264 H240 N16 O46.76 -","8","2","","Raeburn, Jaclyn; Mendoza-Cuenca, Cristina; Cattoz, Beatrice N.; Little, Marc A.; Terry, Ann E.; Zamith Cardoso, Andre; Griffiths, Peter C.; Adams, Dave J.","The effect of solvent choice on the gelation and final hydrogel properties of Fmoc-diphenylalanine.","Soft matter","2015","11","5","927","935","10.1039/c4sm02256d","","x-ray","0.6889","","","0.2274","0.1027","","","0.2387","0.3134","","","","","","1.008","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1518539","14.2575","0.0005","13.1713","0.0004","20.8636","0.0008","90","","108.856","0.004","90","","3707.7","0.2","100.05","0.1","100.05","0.1","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 N2 O5 -","- C17 H24 N2 O5 -","- C136 H192 N16 O40 -","8","1","","Kar, Sudeshna; Tai, Yian","Marked difference in self-assembly, morphology, and cell viability of positional isomeric dipeptides generated by reversal of sequence.","Soft matter","2015","11","7","1345","1351","10.1039/c4sm02537g","","x-ray","0.71073","MoKα","","0.043","0.0388","","","0.1026","0.106","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1520389","9.576","0.003","13.43","0.004","26.522","0.008","90","","90","","90","","3410.9","1.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H53 N2 O5 -","- C36 H53 N2 O5 -","- C144 H212 N8 O20 -","4","1","","Takemoto, Yusa; Yamamoto, Takayuki; Ikuma, Naohiko; Uchida, Yoshiaki; Suzuki, Katsuaki; Shimono, Satoshi; Takahashi, Hiroki; Sato, Nobuhiro; Oba, Yojiro; Inoue, Rintaro; Sugiyama, Masaaki; Tsue, Hirohito; Kato, Tatsuhisa; Yamauchi, Jun; Tamura, Rui","Preparation, characterization and magnetic behavior of a spin-labelled physical hydrogel containing a chiral cyclic nitroxide radical unit fixed inside the gelator molecule.","Soft matter","2015","11","27","5563","5570","10.1039/c5sm01216c","","","0.71075","MoKα","","0.1132","0.0822","","","0.1262","0.1397","","","","","","1.095","","","","has coordinates","143772","2020-10-21","18:00:00",""
"1520507","4.7746","0.0003","5.4698","0.0003","44.772","0.003","91.162","0.005","91.821","0.005","96.985","0.005","1159.66","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H86 N4 O6 -","- C42 H86 N4 O6 -","- C42 H86 N4 O6 -","1","0.5","","Zhong, Di-Chang; Liao, Lie-Qiang; Wang, Ke-Jun; Liu, Hui-Jin; Luo, Xu-Zhong","Heat-set gels formed from easily accessible gelators of a succinamic acid derivative (SAD) and a primary alkyl amine (R-NH2).","Soft matter","2015","11","32","6386","6392","10.1039/c5sm01305d","","","0.71073","MoKα","","0.1219","0.083","","","0.2115","0.2365","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1521012","20.77499","","7.822","","6.963","","90","","90","","90","","1131.5","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","K5 (La0.95 Er0.05) Li2 F10","","- Er0.05 F10 K5 La0.95 Li2 -","- Er0.05 F10 K5 La0.95 Li2 -","- Er0.2 F40 K20 La3.8 Li8 -","4","0.5","","Dominiak-Dzik, G.; Hermanowicz, K.; Golab, S.; Baluka, M.; Pietraszko, A.","K5 La Li2 F10 : Er(3+) crystals. Growth, structure and optical properties","Journal of Physics: Condensed Matter","1999","11","","5245","5256","","","","","","","","","","","","","","","","","","","","","","has coordinates","140638","2020-10-21","18:00:00",""
"1521153","5.67921","","7.70305","","5.54104","","90","","90","","90","","242.405","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","La (Mn O3)","","- La Mn O3 -","- La Mn O3 -","- La4 Mn4 O12 -","4","0.5","","Hibble, S.J.; Cooper, S.P.; Hannon, A.C.; Fawcett, I.D.; Greenblatt, M.","Local distortions in the colossal magnetoresistive manganates La0.70 Ca0.30 Mn O3, La0.80 Ca0.20 Mn O3 and La0.70 Sr0.30 Mn O3 revealed by total neutron diffraction","Journal of Physics: Condensed Matter","1999","11","","9221","9238","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521154","5.45917","","7.71684","","5.47539","","90","","90","","90","","230.665","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(La0.7 Ca0.3) (Mn O3)","","- Ca0.3 La0.7 Mn O3 -","- Ca0.3 La0.7 Mn O3 -","- Ca1.2 La2.8 Mn4 O12 -","4","0.5","","Hibble, S.J.; Cooper, S.P.; Fawcett, I.D.; Hannon, A.C.; Greenblatt, M.","Local distortions in the colossal magnetoresistive manganates La0.70 Ca0.30 Mn O3, La0.80 Ca0.20 Mn O3 and La0.70 Sr0.30 Mn O3 revealed by total neutron diffraction","Journal of Physics: Condensed Matter","1999","11","","9221","9238","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521155","5.47967","","7.7495","","5.50384","","90","","90","","90","","233.719","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(La0.8 Ca0.2) (Mn O3)","","- Ca0.2 La0.8 Mn O3 -","- Ca0.2 La0.8 Mn O3 -","- Ca0.8 La3.2 Mn4 O12 -","4","0.5","","Hibble, S.J.; Fawcett, I.D.; Cooper, S.P.; Hannon, A.C.; Greenblatt, M.","Local distortions in the colossal magnetoresistive manganates La0.70 Ca0.30 Mn O3, La0.80 Ca0.20 Mn O3 and La0.70 Sr0.30 Mn O3 revealed by total neutron diffraction","Journal of Physics: Condensed Matter","1999","11","","9221","9238","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521156","5.503","","5.503","","13.34241","","90","","90","","120","","349.916","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","(La0.7 Sr0.3) (Mn O3)","","- La0.7 Mn O3 Sr0.3 -","- La0.7 Mn O3 Sr0.3 -","- La4.2 Mn6 O18 Sr1.8 -","6","0.166667","","Hibble, S.J.; Cooper, S.P.; Fawcett, I.D.; Hannon, A.C.; Greenblatt, M.","Local distortions in the colossal magnetoresistive manganates La0.70 Ca0.30 Mn O3, La0.80 Ca0.20 Mn O3 and La0.70 Sr0.30 Mn O3 revealed by total neutron diffraction","Journal of Physics: Condensed Matter","1999","11","","9221","9238","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521187","5.5429","","5.5429","","13.4328","","90","","90","","120","","357.414","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","La (Ga O3)","","- Ga La O3 -","- Ga La O3 -","- Ga6 La6 O18 -","6","0.166667","","Howard, C.J.; Kennedy, B.J.","The orthorhombic and rhombohedral phases of La Ga O3 - a neutron powder diffraction study","Journal of Physics: Condensed Matter","1999","11","","3229","3236","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521230","7.834","","20.176","","8.463","","90","","97.54","","90","","1326.08","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(C (N H2)3)3 (Br3 (Bi Br3)2)","","- C3 H18 Bi2 Br9 N9 -","- C3 Bi2 Br9 N9 -","- C6 Bi4 Br18 N18 -","2","0.5","","Jakubas, R.; Zaleski, J.; Kosturek, B.; Bator, G.","Structure and phase transitions in the ferroelastic (C (N H2)3)3 Bi2 Br9 crystal","Journal of Physics: Condensed Matter","1999","11","","4731","4746","","","","","","","","","","","","","","","","","","","","","","has coordinates","140911","2020-10-21","18:00:00",""
"1521298","8.638","","8.638","","4.837","","90","","90","","90","","360.913","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Pr Fe10.844 V1.156 N0.43","","- Fe10.844 N0.43 Pr V1.156 -","- Fe10.844 N0.428 Pr V1.156 -","- Fe21.688 N0.856 Pr2 V2.312 -","2","0.0625","","Mao, W.-H.; Xue, Y.-J.; Zhang, X.-D.; Cheng, B.-P.; Du Honglin; Ji, C.-G.; Zhang, B.-S.; Yang, Y.-C.","Neutron diffraction studies of Pr (Fe, V)12 and Pr (Fe, V)12 Nx","Journal of Physics: Condensed Matter","1999","11","","2487","2492","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521300","5.467","","7.007","","8.735","","97.4","","112.31","","109.11","","279.98","","","","","","","","","","","","","2","P -1","-P 1","2","","V5 O9","","- O9 V5 -","- O9 V5 -","- O18 V10 -","2","1","","Marezio, M.; Dernier, P.D.; McWhan, D.B.; Kachi, S.","Structural aspects of the metal-insulator transition in V5 O9","Journal of Solid State Chemistry","1974","11","","301","313","","","","","","","","","","","","","","","","","","","","","","has coordinates","141034","2020-10-21","18:00:00",""
"1521385","5.4768","","5.5212","","7.789","","90","","90","","90","","235.528","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Na (Ta O3)","","- Na O3 Ta -","- Na O3 Ta -","- Na4 O12 Ta4 -","4","0.5","","Kennedy, B.J.; Prodjosantoso, A.K.; Howard, C.J.","Powder neutron diffraction study of the high temperature phase transitions in Na Ta O3","Journal of Physics: Condensed Matter","1999","11","","6319","6327","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521386","5.5503","","5.5503","","3.9335","","90","","90","","90","","121.175","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Na (Ta O3)","","- Na O3 Ta -","- Na O3 Ta -","- Na2 O6 Ta2 -","2","0.125","","Kennedy, B.J.; Prodjosantoso, A.K.; Howard, C.J.","Powder neutron diffraction study of the high temperature phase transitions in Na Ta O3","Journal of Physics: Condensed Matter","1999","11","","6319","6327","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521406","10.239","","10.029","","6.3154","","90","","90","","90","","648.509","","","","","","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","","Tb (V O4)","","- O4 Tb V -","- O4 Tb V -","- O32 Tb8 V8 -","8","0.25","","Kirschbaum, K.; Martin, A.; Parrish, D.A.; Pinkerton, A.A.","Cooperative Jahn-Teller induced phase transition of Tb V O4: singlecrystal structure analyses of the tetragonal high temperaturephaseand the twinned orthorhombic phase below 33 K","Journal of Physics: Condensed Matter","1999","11","","4483","4490","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521479","4.01","","4.01","","4.01","","90","","90","","90","","64.481","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Pb ((Fe Nb) O6)0.5","","- Fe0.5 Nb0.5 O3 Pb -","- Fe0.5 Nb0.5 O3 Pb1.0002 -","- Fe0.5 Nb0.5 O3 Pb1.0002 -","1","0.0208333","","Lampis, N.; Sciau, P.; Geddo Lehmann, A.","Rietveld refinements of the paraelectric and ferroelectric structures of Pb Fe0.5 Nb0.5 O3","Journal of Physics: Condensed Matter","1999","11","","3489","3500","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521480","5.674","","5.663","","4.013","","90","","89.84","","90","","128.945","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","Pb (Fe0.5 Nb0.5) O3","","- Fe0.5 Nb0.5 O3 Pb -","- Fe0.5 Nb0.5 O3 Pb -","- Fe Nb O6 Pb2 -","2","0.5","","Lampis, N.; Geddo Lehmann, A.; Sciau, P.","Rietveld refinements of the paraelectric and ferroelectric structures of Pb Fe0.5 Nb0.5 O3","Journal of Physics: Condensed Matter","1999","11","","3489","3500","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521484","13.707","","14.466","","9.366","","90","","133.64","","90","","1343.99","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Na2 Rb C60","","- C60 Na2 Rb -","- C60 Na2 Rb -","- C120 Na4 Rb2 -","2","0.5","","Lappas, A.; Brown, C.M.; Kordatos, K.; Prassides, K.; Tanigaki, K.; Suard, E.","Neutron diffraction study of the polymeric structure of Na2 Rb C60","Journal of Physics: Condensed Matter","1999","11","","371","381","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521485","14.0163","","14.0163","","14.0163","","90","","90","","90","","2753.6","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Na2 Rb C60","","- C60 Rb -","- C60 Rb -","- C240 Rb4 -","4","0.166667","","Lappas, A.; Brown, C.M.; Prassides, K.; Kordatos, K.; Tanigaki, K.; Suard, E.","Neutron diffraction study of the polymeric structure of Na2 Rb C60","Journal of Physics: Condensed Matter","1999","11","","371","381","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521532","5.2885","","5.2885","","7.8626","","90","","90","","90","","219.903","","","","","","","","","","","","","2","P 4/n c c :2","-P 4a 2ac","130","","W O3","","- O3 W -","- O3 W -","- O12 W4 -","4","0.25","","Locherer, K.R.; Swainson, I.P.; Salje, E.K.H.","Transition to a new tetragonal phase of W O3 : crystal structure and distortion parameters","Journal of Physics: Condensed Matter","1999","11","","4143","4156","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521533","5.3031","","5.3031","","3.9348","","90","","90","","90","","110.658","","","","","","","","","","","","","2","P 4/n m m :2","-P 4a 2a","129","","W O3","","- O3 W -","- O3 W -","- O6 W2 -","2","0.125","","Locherer, K.R.; Swainson, I.P.; Salje, E.K.H.","Transition to a new tetragonal phase of W O3 : crystal structure and distortion parameters","Journal of Physics: Condensed Matter","1999","11","","4143","4156","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521686","8.072","","7.279","","4.044","","90","","90","","90","","237.61","","","","","","","","","","","","","2","C m m m","-C 2 2","65","","","","- Mn3 Pd5 -","- Mn3.04 Pd4.96 -","- Mn6.08 Pd9.92 -","2","0.125","","Kadar, G.; Kren, E.","Crystal and magnetic structure of the Mn3 Pd5 phase","Solid State Communications","1972","11","","933","936","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1521694","5.2","","5.2","","4.22","","90","","90","","120","","98.821","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Mn2.7 Ni2.3) Nd","","- Mn2.7 Nd Ni2.3 -","- Mn2.7 Nd Ni2.3 -","- Mn2.7 Nd Ni2.3 -","1","0.0416667","","Kal'ichak, Ya.M.; Oniskovets, B.D.; Bodak, O.I.","The Nd-Mn-Ni system","Izvestiya Vysshikh Uchebnykh Zavedenii, Tsvetnaya Metallurgiya","1983","11","","227","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521695","14.301","","3.598","","5.204","","90","","90","","90","","267.772","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cd (V O3)","","- Cd O3 V -","- Cd O3 V -","- Cd4 O12 V4 -","4","0.5","","Onoda, M.; Nishiguchi, N.","S=1/2 zigzag-chain structure and ferromagnetism of Cd V O3","Journal of Physics: Condensed Matter","1999","11","","749","757","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521696","11.328","","3.6","","4.881","","90","","90","","90","","199.051","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","(Ca0.95 Na0.05) (V2 O5)","","- Ca0.95 Na0.05 O5 V2 -","- Ca0.95 Na0.05 O5 V2 -","- Ca1.9 Na0.1 O10 V4 -","2","0.25","","Onoda, M.; Kagami, T.","Crystal structures and electronic properties in the crossover region between the spin-gap system Ca V2 O5 and the linear-chain system Na V2 O5","Journal of Physics: Condensed Matter","1999","11","","3475","3488","","","","","","","","","","","","","","","","","","","","","","has coordinates","141909","2020-10-21","18:00:00",""
"1521697","11.294","","3.606","","4.806","","90","","90","","90","","195.73","","","","","","","","","","","","","4","P m m n :2","-P 2ab 2a","59","","(Ca0.17 Na0.83) (V2 O5)","","- Ca0.17 Na0.83 O5 V2 -","- Ca0.17 Na0.83 O5 V2 -","- Ca0.34 Na1.66 O10 V4 -","2","0.25","","Onoda, M.; Kagami, T.","Crystal structures and electronic properties in the crossover region between the spin-gap system Ca V2 O5 and the linear-chain system Na V2 O5","Journal of Physics: Condensed Matter","1999","11","","3475","3488","","","","","","","","","","","","","","","","","","","","","","has coordinates","141910","2020-10-21","18:00:00",""
"1521815","3.9092","","3.9092","","3.9092","","90","","90","","90","","59.74","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","(Sr0.96 Ca0.04) Ti O3","","- Ca0.04 O3 Sr0.96 Ti -","- Ca0.04 O3 Sr0.96 Ti -","- Ca0.04 O3 Sr0.96 Ti -","1","0.0208333","","Ranjan, R.; Pandey, D.; Paranjpe, S.K.; Krishna, P.S.R.; Siruguri, V.","Novel structural features and phase transition behaviour of (Sr1-x Cax) Ti O3 : I. Neutron diffraction study","Journal of Physics: Condensed Matter","1999","11","","2233","2246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521816","5.552","","5.546","","7.836","","90","","90","","90","","241.281","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Sr0.88 Ca0.12) Ti O3","","- Ca0.12 O3 Sr0.88 Ti -","- Ca0.122 O3 Sr0.88 Ti -","- Ca0.488 O12 Sr3.52 Ti4 -","4","0.5","","Ranjan, R.; Pandey, D.; Siruguri, V.; Krishna, P.S.R.; Paranjpe, S.K.","Novel structural features and phase transition behaviour of (Sr1-x Cax) Ti O3 : I. Neutron diffraction study","Journal of Physics: Condensed Matter","1999","11","","2233","2246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521817","5.525","","5.522","","7.7763","","90","","90","","90","","237.248","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Sr0.75 Ca0.25) Ti O3","","- Ca0.25 O3 Sr0.75 Ti -","- Ca0.245 O3 Sr0.75 Ti -","- Ca0.98 O12 Sr3 Ti4 -","4","0.5","","Ranjan, R.; Pandey, D.; Siruguri, V.; Krishna, P.S.R.; Paranjpe, S.K.","Novel structural features and phase transition behaviour of (Sr1-x Cax) Ti O3 : I. Neutron diffraction study","Journal of Physics: Condensed Matter","1999","11","","2233","2246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521818","5.498","","5.491","","7.753","","90","","90","","90","","234.059","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Sr0.5 Ca0.5) Ti O3","","- Ca0.5 O3 Sr0.5 Ti -","- Ca0.494 O2.99 Sr0.499 Ti -","- Ca1.976 O11.96 Sr1.996 Ti4 -","4","0.5","","Ranjan, R.; Pandey, D.; Paranjpe, S.K.; Siruguri, V.; Krishna, P.S.R.","Novel structural features and phase transition behaviour of (Sr1-x Cax) Ti O3 : I. Neutron diffraction study","Journal of Physics: Condensed Matter","1999","11","","2233","2246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521819","5.5263","","5.5263","","13.3499","","90","","90","","120","","353.084","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","La0.9 Na0.1 Mn O3","","- La0.9 Mn Na0.1 O3 -","- La0.9 Mn Na0.1 O3 -","- La5.4 Mn6 Na0.6 O18 -","6","0.166667","","Rao, G.-H.; Baerner, K.; Sun, J.R.; Hamad, N.","Crystal structure and magnetoresistance of Na-doped La Mn O3","Journal of Physics: Condensed Matter","1999","11","","1523","1528","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521952","5.276","","8.768","","9.122","","90","","90","","90","","421.983","","","","","","","","","","","","","5","P 21 n b","P -2bc 2a","33","","Li (N H4) (S O4)","","- H4 Li N O4 S -","- H4 Li N O4 S -","- H16 Li4 N4 O16 S4 -","4","1","","Solans, X.; Mata, J.; Calvet, M.T.; Font-Bardia, M.","X-ray structural characterization, Raman and thermal analysis of Li N H4 S O4 above room temperature","Journal of Physics: Condensed Matter","1999","11","","8995","9007","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1522187","3.918","","4.024","","5.629","","87.57","","90.3","","90.14","","88.666","","","","","","","","","","","","","3","P -1","-P 1","2","","(Bi0.667 La1.333) O3.364","","- Bi0.667 La1.333 O3.364 -","- Bi0.666 La1.334 O3.364 -","- Bi0.666 La1.334 O3.364 -","1","0.5","","Wolcyrz, M.; Horyn, R.; Bouree, F.","Structural peculiarities of Bi La2 O4.5+d examined by X-ray and neutron powder diffraction","Journal of Physics: Condensed Matter","1999","11","","5757","5765","","","","","","","","","","","","","","","","","","","","","","has coordinates","142407","2020-10-21","18:00:00",""
"1522189","3.966","","3.966","","9.931","","90","","90","","120","","135.279","","","","","","","","","","","","","3","R 3 m :H","R 3 -2""","160","","(Bi La2) O4.5","","- Bi La2 O4.5 -","- Bi0.999 La2.001 O4.5 -","- Bi0.999 La2.001 O4.5 -","1","0.0555556","","Wolcyrz, M.; Horyn, R.; Bouree, F.","Structural peculiarities of Bi La2 O4.5+d examined by X-ray and neutron powder diffraction","Journal of Physics: Condensed Matter","1999","11","","5757","5765","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522191","6.826","","3.987","","4.051","","90","","125.11","","90","","90.189","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","(Bi0.667 La1.333) O3","","- Bi0.667 La1.333 O3 -","- Bi0.666 La1.334 O3 -","- Bi0.666 La1.334 O3 -","1","0.125","","Wolcyrz, M.; Horyn, R.; Bouree, F.","Structural peculiarities of Bi La2 O4.5+d examined by X-ray and neutron powder diffraction","Journal of Physics: Condensed Matter","1999","11","","5757","5765","","","","","","","","","","","","","","","","","","","","","","has coordinates","142411","2020-10-21","18:00:00",""
"1522590","3.109","","3.109","","3.109","","90","","90","","90","","30.051","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Mo Tc)","","- Mo Tc -","- Mo Tc -","- Mo Tc -","1","0.0104167","","Niemiec, J.","X-ray analysis of Tc-Mo alloys","Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques","1963","11","","305","309","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522591","2.749","","2.749","","4.389","","90","","90","","120","","28.724","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Pd0.47 Tc0.53)","","- Pd0.47 Tc0.53 -","- Pd0.47 Tc0.53 -","- Pd0.94 Tc1.06 -","2","0.0833333","","Niemiec, J.","X-ray analysis of technetium alloys with Rh, Pd and Pt","Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques","1963","11","","665","669","","","","","","","","","","","","","","","","","","","","","","has coordinates","142851","2020-10-21","18:00:00",""
"1522592","3.874","","3.874","","3.874","","90","","90","","90","","58.141","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Pd0.25 Tc0.75)","","- Pd0.25 Tc0.75 -","- Pd0.25 Tc0.75 -","- Pd Tc3 -","4","0.0208333","","Niemiec, J.","X-ray analysis of technetium alloys with Rh, Pd and Pt","Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques","1963","11","","665","669","","","","","","","","","","","","","","","","","","","","","","has coordinates","142852","2020-10-21","18:00:00",""
"1522593","2.746","","2.746","","4.381","","90","","90","","120","","28.609","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Pt0.246 Tc0.754)","","- Pt0.246 Tc0.754 -","- Pt0.246 Tc0.754 -","- Pt0.492 Tc1.508 -","2","0.0833333","","Niemiec, J.","X-ray analysis of technetium alloys with Rh, Pd and Pt","Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques","1963","11","","665","669","","","","","","","","","","","","","","","","","","","","","","has coordinates","142853","2020-10-21","18:00:00",""
"1522594","3.89","","3.89","","3.89","","90","","90","","90","","58.864","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Pt0.38 Tc0.62)","","- Pt0.38 Tc0.62 -","- Pt0.381 Tc0.619 -","- Pt1.524 Tc2.476 -","4","0.0208333","","Niemiec, J.","X-ray analysis of technetium alloys with Rh, Pd and Pt","Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques","1963","11","","665","669","","","","","","","","","","","","","","","","","","","","","","has coordinates","142854","2020-10-21","18:00:00",""
"1522595","2.721","","2.721","","4.336","","90","","90","","120","","27.802","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Rh Tc)","","- Rh Tc -","- Rh Tc -","- Rh Tc -","1","0.0416667","","Niemiec, J.","X-ray analysis of technetium alloys with rhodium, palladium and platinum","Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques","1963","11","","665","669","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522596","3.806","","3.806","","3.806","","90","","90","","90","","55.132","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Rh0.955 Tc0.045)","","- Rh0.955 Tc0.045 -","- Rh0.955 Tc0.045 -","- Rh3.82 Tc0.18 -","4","0.0208333","","Niemiec, J.","X-ray analysis of technetium alloys with rhodium, palladium and platinum","Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques","1963","11","","665","669","","","","","","","","","","","","","","","","","","","","","","has coordinates","142856","2020-10-21","18:00:00",""
"1522717","2.823","","2.823","","4.238","","90","","90","","120","","29.249","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Ga0.4 Re0.6)","","- Ga0.4 Re0.6 -","- Ga0.4 Re0.6 -","- Ga0.8 Re1.2 -","2","0.0833333","","Popova, S.V.","Crystal chemistry of some germanium and gallium compounds","Fizika Tekhnika Vysokikh Davlenij","1983","11","","3","12","","","","","","","","","","","","","","","","","","","","","","has coordinates","142987","2020-10-21","18:00:00",""
"1523073","5.393","","5.393","","4.388","","90","","90","","120","","110.524","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- La Pt5 -","- La Pt5 -","- La Pt5 -","1","0.0416667","","Weisman, L.D.; McAlister, A.J.; Bennett, L.H.","La Ni5-x Ptx: NMR investigation of structural and electronic properties","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1975","11","","82","91","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523177","7.23","","7.23","","7.23","","90","","90","","90","","377.933","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Mn2 Np -","- Mn2 Np -","- Mn16 Np8 -","8","0.0416667","","Aldred, A.T.; Dunlap, B.D.; Mueller, M.H.; Lam, D.J.; Lander, G.H.; Nowik, I.","Magnetic properties of magnesium Laves phases: Np Mn2, Np Fe2, Np Co2, and Np Ni2","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1975","11","","530","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523687","4.02","","4.02","","4.02","","90","","90","","90","","64.965","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Nb Pd -","- Nb Pd -","- Nb2 Pd2 -","2","0.0104167","","Giessen, B.C.; Parker, D.P.; Grant, N.J.","The niobium (columbium)-palladium constitution diagram","Metallurgical Transactions A: Physical Metallurgy and Materials Science","1980","11","","709","715","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523769","7.32","","7.32","","7.32","","90","","90","","90","","392.223","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Hf Ta) V4","","- Hf Ta V4 -","- Hf Ta V4 -","- Hf4 Ta4 V16 -","4","0.0208333","","Guzei, L.S.; Sokolovskaya, E.M.; Kuznetsova, S.M.; Sokolova, E.M.; Ronami, G.N.","Phase equilibria in the V-Ta-Hf system","Vestnik Moskovskogo Universiteta, Khimiya","1970","11","","696","699","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523782","3.6451","","3.6451","","5.8082","","90","","90","","120","","66.833","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Gd0.8 Pr0.2 -","- Gd0.8 Pr0.2 -","- Gd1.6 Pr0.4 -","2","0.0833333","","Harris, I.R.; Koch, C.C.; Raynor, G.V.","The room-temperature lattice spacings of some intra rare- earth binary systems","Journal of the Less-Common Metals","1966","11","","436","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523851","4.958","","4.958","","3.64","","90","","90","","120","","77.49","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Hg2 La -","- Hg2 La -","- Hg2 La -","1","0.0416667","","Iandelli, A.; Ferro, R.","Le amalgame del lantanio","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 8 (1, 1946-)","1951","11","","85","93","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523852","3.411","","3.411","","4.961","","90","","90","","120","","49.988","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Hg3 La -","- Hg3 La -","- Hg3 La -","1","0.0416667","","Iandelli, A.; Ferro, R.","Le amalgame del lantanio","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 8 (1, 1946-)","1951","11","","85","93","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523918","5.68","","5.68","","5.68","","90","","90","","90","","183.25","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Lu0.3 Sm0.7) S","","- Lu0.3 S Sm0.7 -","- Lu0.3 S Sm0.7 -","- Lu1.2 S4 Sm2.8 -","4","0.0208333","","Jayaraman, A.; Dernier, P.; Longinotti, L.D.","Study of the valence transition in SmS induced by alloying, temperature, and pressure","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1975","11","","2783","2794","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523934","4.963","","4.963","","4.963","","90","","90","","90","","122.245","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","Mo6 (Os Ru)","","- Mo6 Os Ru -","- Mo6 Os Ru -","- Mo6 Os Ru -","1","0.0208333","","Johnston, D.C.","Superconductivity in the pseudo-binary A-15 compounds Mo3Os1-xRux and Mo3Ir1-xRux","Solid State Communications","1972","11","","1751","1754","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523935","4.963","","4.963","","4.963","","90","","90","","90","","122.245","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","(Ir0.5 Ru0.5) Mo3","","- Ir0.5 Mo3 Ru0.5 -","- Ir0.5 Mo3 Ru0.5 -","- Ir Mo6 Ru -","2","0.0416667","","Johnston, D.C.","Superconductivity in the pseudo-binary A15 compounds Mo3 Os1-x Rux and Mo3 Ir1-x Rux","Solid State Communications","1972","11","","1751","1754","","","","","","","","","","","","","","","","","","","","","","has coordinates","144559","2020-10-21","18:00:00",""
"1523970","7.043","","7.043","","7.043","","90","","90","","90","","349.36","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Co2 Np -","- Co2 Np -","- Co16 Np8 -","8","0.0416667","","Aldred, A.T.; Dunlap, B.D.; Nowik, I.; Lam, D.J.; Lander, G.H.; Mueller, M.H.","Magnetic properties of neptunium Laves phases: Np Mn2, Np Fe2, Np Co2, and Np Ni2","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1975","11","","530","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523976","9.596","","9.596","","15.57","","90","","90","","90","","1433.74","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Cs3 Mn Br5","","- Br5 Cs3 Mn -","- Br5 Cs3 Mn -","- Br20 Cs12 Mn4 -","4","0.125","","Amit, M.; Horowitz, A.; Ron, E.; Makovsky, J.","Preparation and crystal structures of some compounds of the A3 B X5 type (A= Cs, Tl, NH4, B= Mn, Fe, Co, X= Cl, Br)","Israel Journal of Chemistry","1973","11","","749","763","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523977","8.431","","8.431","","14.497","","90","","90","","90","","1030.47","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Tl3 Co Cl5","","- Cl5 Co Tl3 -","- Cl5 Co Tl3 -","- Cl20 Co4 Tl12 -","4","0.125","","Amit, M.; Horowitz, A.; Ron, E.; Makovsky, J.","Preparation and crystal structures of some compounds of the A3 B X5 type (A= Cs, Tl, NH4, B= Mn, Fe, Co, X= Cl, Br)","Israel Journal of Chemistry","1973","11","","749","763","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523978","8.4","","8.4","","14.738","","90","","90","","90","","1039.91","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Tl3 Fe Cl5","","- Cl5 Fe Tl3 -","- Cl5 Fe Tl3 -","- Cl20 Fe4 Tl12 -","4","0.125","","Amit, M.; Horowitz, A.; Makovsky, J.; Ron, E.","Preparation and crystal structures of some compounds of the A3 B X5 type (A= Cs, Tl, NH4, B= Mn, Fe, Co, X= Cl, Br)","Israel Journal of Chemistry","1973","11","","749","763","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523979","8.687","","10.006","","12.687","","90","","90","","90","","1102.78","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)3 (Fe Cl4) Cl","","- Cl5 Fe H12 N3 -","- Cl5 Fe H12 N3 -","- Cl20 Fe4 H48 N12 -","4","0.5","","Amit, M.; Ron, E.; Horowitz, A.; Makovsky, J.","Preparation and crystal structures of some compounds of the A3 B X5 type (A= Cs, Tl, N H4, B= Mn, Fe, Co, X= Cl, Br)","Israel Journal of Chemistry","1973","11","","749","763","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1523980","8.714","","9.914","","12.669","","90","","90","","90","","1094.48","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)3 Co Cl5","","- Cl5 Co H12 N3 -","- Cl5 Co H12 N3 -","- Cl20 Co4 H48 N12 -","4","0.5","","Amit, M.; Horowitz, A.; Ron, E.; Makovsky, J.","Preparation and crystal structures of some compounds of the A3 B X5 type (A= Cs, Tl, NH4, B= Mn, Fe, Co, X= Cl, Br)","Israel Journal of Chemistry","1973","11","","749","763","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1524331","7.395","","7.395","","7.395","","90","","90","","90","","404.403","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Cr0.5 Mo0.5)2 Zr","","- Cr Mo Zr -","- Cr Mo Zr -","- Cr8 Mo8 Zr8 -","8","0.0416667","","Eremenko, V.N.; Khoruzhaya, V.G.; Prima, S.B.; Tret'yachenko, L.A.","Isothermal section of the Mo - Zr - Cr constitution diagram at 1500 deg. C","Poroshkovaya Metallurgiya","1971","11","","81","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524413","7.03","","4.17","","5.44","","90","","90","","90","","159.474","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Dy Ni -","- Dy Ni -","- Dy4 Ni4 -","4","0.5","","Gignoux, D.; Shah, J.S.","Magnetic structure of the compound Dy Ni","Solid State Communications","1972","11","","1709","1711","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524489","3.6473","","3.6473","","5.8116","","90","","90","","120","","66.953","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Ce0.2 Gd0.8)","","- Ce0.2 Gd0.8 -","- Ce0.2 Gd0.8 -","- Ce0.4 Gd1.6 -","2","0.0833333","","Harris, I.R.; Koch, C.C.; Raynor, G.V.","The room-temperature lattice spacings of some intra rare-earth binary systems","Journal of the Less-Common Metals","1966","11","","436","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","145265","2020-10-21","18:00:00",""
"1524490","3.6536","","3.6536","","11.773","","90","","90","","120","","136.101","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Ce0.6 Gd0.4)","","- Ce0.6 Gd0.4 -","- Ce0.6 Gd0.4 -","- Ce2.4 Gd1.6 -","4","0.166667","","Harris, I.R.; Koch, C.C.; Raynor, G.V.","The room-temperature lattice spacings of some intra rare-earth binary systems","Journal of the Less-Common Metals","1966","11","","436","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","145266","2020-10-21","18:00:00",""
"1524491","3.6774","","3.6774","","5.8103","","90","","90","","120","","68.047","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Ce0.35 Y0.65)","","- Ce0.35 Y0.65 -","- Ce0.35 Y0.65 -","- Ce0.7 Y1.3 -","2","0.0833333","","Harris, I.R.; Koch, C.C.; Raynor, G.V.","The room-temperature lattice spacings of some intra rare-earth binary systems","Journal of the Less-Common Metals","1966","11","","436","454","","","","","","","","","","","","","","","","","","","","","","has coordinates","145267","2020-10-21","18:00:00",""
"1524788","34.85","","7.33","","7.758","","90","","90","","90","","1981.79","","","","","","","","","","","","","3","P 2 2 21","P 2c 2","17","","Cs.07 W O3","","- Cs0.137778 O4 W1.11111 -","- Cs0.137778 O4 W1.11111 -","- Cs2.48 O72 W20 -","18","4.5","","Hussain, A.","The Crystal Structure of a Cesium Intergrowth Tungstem Bronze","Chemica Scripta","1977","11","","224","227","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1524789","34.85","","7.33","","3.879","","90","","90","","90","","990.892","","","","","","","","","","","","","3","P 2 2 21","P 2c 2","17","","Cs0.069 W O3","","- Cs0.137778 O4 W1.11111 -","- Cs0.137778 O4 W1.11111 -","- Cs2.48 O72 W20 -","18","4.5","","Hussain, A.","The crystal structure of a cesium intergrowth tungsten bronze","Chemica Scripta","1977","11","","224","227","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1524795","7.327","","7.327","","7.327","","90","","90","","90","","393.349","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Ce (Fe1.85 Ga0.15)","","- Ce Fe1.85 Ga0.15 -","- Ce Fe1.85 Ga0.15 -","- Ce8 Fe14.8 Ga1.2 -","8","0.0416667","","Lapunova, R.V.; Grin', Yu.; Yarmolyuk, Ya.P.","The La-Ga-Fe and Ce-Ga-Fe systems","Izvestiya Vysshikh Uchebnykh Zavedenii, Tsvetnaya Metallurgiya","1983","11","","169","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524993","5.0329","","5.0329","","5.0329","","90","","90","","90","","127.484","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Er Th)","","- Er Th -","- Er0.992 Th1.008 -","- Er1.984 Th2.016 -","2","0.0104167","","Norman, M.; Harris, I.R.; Raynor, G.V.","The lattice spacings of thorium-rich solid solutions with Pr, Sm, Gd, and Er","Journal of the Less-Common Metals","1966","11","","395","402","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525368","5.995","","5.995","","5.995","","90","","90","","90","","215.46","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Co2 Mn Sn -","- Co2 Mn Sn -","- Co8 Mn4 Sn4 -","4","0.0416667","","Szytula, A.; Kolodziejczyk, A.; Rzany, H.; Todorovic, J.; Wanic, A.","Atomic and magnetic structure of the Heusler alloys Ni2 Mn Sb, Ni2 Mn Sn, and Co2 Mn Sn","Physica Status Solidi, Sectio A: Applied Research","1972","11","","57","65","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527090","9.757","","3.802","","9.452","","90","","93.11","","90","","350.116","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Ti3 O5","","- O5 Ti3 -","- O5 Ti3 -","- O20 Ti12 -","4","0.5","","Asbrink, S.; Magneli, A.","Note on the crystal structure of trititanium pentoxide","Acta Chemica Scandinavica (1-27,1973-42,1988)","1957","11","","1606","1607","","","","","","","","","","","","","","","","","","","","","","has coordinates","148397","2020-10-21","18:00:00",""
"1527385","7.27","","12.06","","6.85","","90","","90","","90","","600.582","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","H3 P O3","","- H3 O3 P -","- O3 P -","- O24 P8 -","8","2","","Furberg, S.; Landmark, P.","The crystal structure of phosphorous acid","Acta Chemica Scandinavica (1-27,1973-42,1988)","1957","11","","1505","1511","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527465","7.16","","7.16","","7.16","","90","","90","","90","","367.062","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ta V2 -","- Ta V2 -","- Ta8 V16 -","8","0.0416667","","Guzei, L.S.; Sokolovskaya, E.M.; Kuznetsova, S.M.; Vysotskaya, G.V.; Sokolova, I.G.; Ronami, G.N.","Phase equilibria in the V-Ta-Hf system","Vestnik Moskovskogo Universiteta, Khimiya","1970","11","","696","699","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527589","5.66","","5.66","","5.66","","90","","90","","90","","181.321","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Sm3 Tm) S4","","- S4 Sm3 Tm -","- S4 Sm3 Tm -","- S4 Sm3 Tm -","1","0.00520833","","Jayaraman, A.; Dernier, P.; Longinotti, L.D.","Study of the valence transition in Sm S induced by alloying, temperature, and pressure","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1975","11","","2783","2794","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527812","9.258","","9.258","","8.694","","90","","90","","120","","645.334","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","(Sc5.5 Nb1.5) O12","","- Nb1.5 O12 Sc5.5 -","- Nb1.49 O12 Sc5.51 -","- Nb4.47 O36 Sc16.53 -","3","0.166667","","Michel, D.; Perez y Jorba, M.; Kahn, A.","Etude structurale des phases Sc5.5 Nb1.5 O12 et Sc5.5 Ta1.5 O12. Ordre des cations dans les composes (A, B)7 O12 de type Y6 U O12","Materials Research Bulletin","1976","11","","857","866","","","","","","","","","","","","","","","","","","","","","","has coordinates","149575","2020-10-21","18:00:00",""
"1527869","7.228","","7.228","","6.03","","90","","90","","120","","272.825","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs V Cl3","","- Cl3 Cs V -","- Cl3 Cs V -","- Cl6 Cs2 V2 -","2","0.0833333","","Niel, M.; Pouchard, M.; Cros, C.; Vlasse, M.; Hagenmuller, P.","Sur la phase Cs V Cl3. Etude cristallographique et magnetique","Materials Research Bulletin","1976","11","","827","836","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527871","2.749","","2.749","","4.434","","90","","90","","120","","29.019","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","(Tc0.9 W0.1)","","- Tc0.9 W0.1 -","- Tc0.9 W0.1 -","- Tc1.8 W0.2 -","2","0.0833333","","Niemiec, J.","X-ray analysis of technetium binary alloys with tungsten and rhenium","Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques","1963","11","","311","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","149658","2020-10-21","18:00:00",""
"1527933","6.12","","6.12","","8.98","","90","","90","","90","","336.341","","","","","","","","","","","","","4","P 4/n m m :1","P 4ab 2ab -1ab","129","","K2 (Nb O F5)","","- F5 K2 Nb O -","- F5 K2 Nb O -","- F10 K4 Nb2 O2 -","2","0.125","","Pinsker, Z.G.","Electron diffraction analysis of the structure of K2 Nb O F5 crystals","Kristallografiya","1966","11","","741","748","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528128","6.007","","8.476","","6.063","","90","","90","","90","","308.7","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Ba (Pb O3)","","- Ba O3 Pb -","- Ba O3 Pb -","- Ba4 O12 Pb4 -","4","0.25","","Thornton, G.; Jacobson, A.J.","A powder neutron diffraction determination of the structure of Ba Pb O3 at 4.2K","Materials Research Bulletin","1976","11","","837","842","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528627","14.3902","","5.3433","","4.83254","","90","","90","","90","","371.58","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","Ba Si2 O2 N2","","- Ba N2 O2 Si2 -","- Ba N2 O2 Si2 -","- Ba4 N8 O8 Si8 -","4","0.5","","Kechele, J.A.; Oeckler, O.; Schnick, W.; Stadler, F.","Structure elucidation of Ba Si2 O2 N2 - A host lattice for rare-earth doped luminescent materials in phosphor-converted (pc)-LEDs","Solid State Sciences","2009","11","","537","543","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528705","6.584","","8.507","","4.761","","90","","103.88","","90","","258.878","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Mg2 As2 O7","","- As2 Mg2 O7 -","- As2 Mg2 O7 -","- As4 Mg4 O14 -","2","0.25","","Lukaszewicz, K.","The Crystal Structure of Magnesium Pyroarsenate, Mg2 As2 O7","Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques","1963","11","","361","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","151292","2020-10-21","18:00:00",""
"1528864","7.8636","","5.6306","","5.5483","","90","","90","","90","","245.661","","","","","","","","","","","","","3","P m c 21","P 2c -2","26","","Na (Nb O3)","","- Na Nb O3 -","- Na Nb O3 -","- Na4 Nb4 O12 -","4","1","","Shanker, V.; Samal, S.L.; Narayana, C.; Pradhan, G.K.; Ganguli, A.K.","Nanocrystalline Na Nb O3 and Na Ta O3: Rietveld studies, Raman spectroscopy and dielectric properties","Solid State Sciences","2009","11","","562","569","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528865","5.5883","","5.6584","","7.9309","","90","","90","","90","","250.782","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Na (Ta O3)","","- Na O3 Ta -","- Na O3 Ta -","- Na4 O12 Ta4 -","4","0.5","","Shanker, V.; Samal, S.L.; Pradhan, G.K.; Narayana, C.; Ganguli, A.K.","Nanocrystalline Na Nb O3 and Na Ta O3: Rietveld studies, Raman spectroscopy and dielectric properties","Solid State Sciences","2009","11","","562","569","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528874","5.115","","2.958","","2.954","","90","","125.19","","90","","36.526","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Ni1.875 O2 -","- Ni1.875 O2 -","- Ni1.875 O2 -","1","0.125","","Shimomura, Y.; Kojima, M.; Saito, S.","Crystal structure of ferromagnetic nickel oxide","Journal of the Physical Society of Japan","1956","11","","1136","1146","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528907","5.4962","","5.4962","","9.1172","","90","","90","","120","","238.516","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","(Sr0.78 Ba0.2 La0.02) Mn O3","","- Ba0.2 La0.02 Mn O3 Sr0.78 -","- Ba0.2 La0.02 Mn O3 Sr0.78 -","- Ba0.8 La0.08 Mn4 O12 Sr3.12 -","4","0.166667","","Taguchi, H.; Hirata, K.; Hirota, K.; Kato, M.","Behavior of Mn(3+) ions in four-layered hexagonal (Sr(1-x-y) La(x) Ba(y)) Mn O3","Solid State Sciences","2009","11","","491","495","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528908","5.5122","","5.5122","","9.1263","","90","","90","","120","","240.146","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","(Sr0.66 Ba0.3 La0.04) Mn O3","","- Ba0.3 La0.04 Mn O3 Sr0.66 -","- Ba0.3 La0.04 Mn O3 Sr0.66 -","- Ba1.2 La0.16 Mn4 O12 Sr2.64 -","4","0.166667","","Taguchi, H.; Hirata, K.; Kato, M.; Hirota, K.","Behavior of Mn(3+) ions in four-layered hexagonal (Sr(1-x-y) La(x) Ba(y)) Mn O3","Solid State Sciences","2009","11","","491","495","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528909","5.5342","","5.5342","","9.1341","","90","","90","","120","","242.274","","","","","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","(Sr0.58 Ba0.4 La0.02) Mn O3","","- Ba0.4 La0.02 Mn O3 Sr0.58 -","- Ba0.4 La0.02 Mn O3 Sr0.58 -","- Ba1.6 La0.08 Mn4 O12 Sr2.32 -","4","0.166667","","Taguchi, H.; Hirata, K.; Kato, M.; Hirota, K.","Behavior of Mn(3+) ions in four-layered hexagonal (Sr(1-x-y) La(x) Ba(y)) Mn O3","Solid State Sciences","2009","11","","491","495","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528948","5.35739","","5.35739","","13.1274","","90","","90","","120","","326.299","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Co3 Sn2 S2","","- Co3 S2 Sn2 -","- Co3 S2 Sn2 -","- Co9 S6 Sn6 -","3","0.0833333","","Vaqueiro, P.; Sobany, G.G.","A powder neutron diffraction study on the metallic ferromagnet Co3 Sn2 S2","Solid State Sciences","2009","11","","513","518","","","","","","","","","","","","","","","","","","","","","","has coordinates","151819","2020-10-21","18:00:00",""
"1528951","10.6412","","10.6412","","10.6412","","90","","90","","90","","1204.96","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Yb1.86 Ni21 B6","","- B6 Ni21 Yb1.86 -","- B6 Ni21 Yb1.86 -","- B24 Ni84 Yb7.44 -","4","0.0208333","","Veremchuk, I.; Gumeniuk, R.; Prots', Yu.; Schnelle, W.; Burkhardt, U.; Rosner, H.; Kuz'ma, Yu.; Leithe-Jasper, A.","Crystallographic and physical properties of RE(2-x) Ni21 B6 (RE = Er, Yb and Lu)","Solid State Sciences","2009","11","","507","512","","","","","","","","","","","","","","","","","","","","","","has coordinates","151823","2020-10-21","18:00:00",""
"1529406","22.8075","0.0016","7.3222","0.0006","14.4685","0.0007","90","","94.765","0.006","90","","2407.9","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-cetyl-N,N-di(2-hydroxyethyl)methylammonium bromide","","- C21 H46 Br N O2 -","- C21 H46 Br N O2 -","- C84 H184 Br4 N4 O8 -","4","1","","Dai, Caili; Wu, Xuepeng; Li, Weitao; You, Qin; Zhao, Mingwei; Du, Mingyong; Liu, Yifei; Li, Yuyang","The role of hydroxyethyl groups in the construction of wormlike micelles in the system of quaternary ammonium surfactant and sodium salicylate.","Soft matter","2015","11","39","7817","7826","10.1039/c5sm01698c","","","1.54184","CuKα","","0.1114","0.0621","","","0.1738","0.2553","","","","","","1.288","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529449","9.7442","0.0007","13.1654","0.0012","17.8252","0.0017","90","","93.934","0.004","90","","2281.3","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Br N -","- C14 H10 Br N -","- C112 H80 Br8 N8 -","8","2","","Messaoud, Mohamed Yacine Ameur; Bentabed-Ababsa, Ghenia; Hedidi, Madani; Derdour, Aïcha; Chevallier, Floris; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Picot, Laurent; Thiéry, Valérie; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence","Deproto-metallation of N-arylated pyrroles and indoles using a mixed lithium-zinc base and regioselectivity-computed CH acidity relationship.","Beilstein journal of organic chemistry","2015","11","","1475","1485","10.3762/bjoc.11.160","","x-ray","0.71073","MoKα","","0.1171","0.0822","","","0.2092","0.2264","","","","","","1.102","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529450","7.08","0.0003","20.666","0.001","8.2442","0.0005","90","","100.632","0.002","90","","1185.54","0.11","150","2","150","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","","","- C14 H10 I N -","- C14 H10 I N -","- C56 H40 I4 N4 -","4","1","","Messaoud, Mohamed Yacine Ameur; Bentabed-Ababsa, Ghenia; Hedidi, Madani; Derdour, Aïcha; Chevallier, Floris; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Picot, Laurent; Thiéry, Valérie; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence","Deproto-metallation of N-arylated pyrroles and indoles using a mixed lithium-zinc base and regioselectivity-computed CH acidity relationship.","Beilstein journal of organic chemistry","2015","11","","1475","1485","10.3762/bjoc.11.160","","x-ray","0.71073","MoKα","","0.0238","0.0233","","","0.0563","0.0566","","","","","","1.1","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529451","9.9461","0.0004","6.9825","0.0003","15.2049","0.0008","90","","92.314","0.002","90","","1055.1","0.08","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 I N O -","- C11 H10 I N O -","- C44 H40 I4 N4 O4 -","4","1","","Messaoud, Mohamed Yacine Ameur; Bentabed-Ababsa, Ghenia; Hedidi, Madani; Derdour, Aïcha; Chevallier, Floris; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Picot, Laurent; Thiéry, Valérie; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence","Deproto-metallation of N-arylated pyrroles and indoles using a mixed lithium-zinc base and regioselectivity-computed CH acidity relationship.","Beilstein journal of organic chemistry","2015","11","","1475","1485","10.3762/bjoc.11.160","","x-ray","0.71073","MoKα","","0.0292","0.0253","","","0.0548","0.0567","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529452","10.0665","0.0005","5.9895","0.0004","17.5155","0.001","90","","103.942","0.003","90","","1024.96","0.1","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H7 Br I N -","- C10 H7 Br I N -","- C40 H28 Br4 I4 N4 -","4","1","","Messaoud, Mohamed Yacine Ameur; Bentabed-Ababsa, Ghenia; Hedidi, Madani; Derdour, Aïcha; Chevallier, Floris; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Picot, Laurent; Thiéry, Valérie; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence","Deproto-metallation of N-arylated pyrroles and indoles using a mixed lithium-zinc base and regioselectivity-computed CH acidity relationship.","Beilstein journal of organic chemistry","2015","11","","1475","1485","10.3762/bjoc.11.160","","x-ray","0.71073","MoKα","","0.041","0.032","","","0.0789","0.0828","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529453","11.4222","0.0006","5.4888","0.0003","19.7338","0.0012","90","","100.562","0.002","90","","1216.23","0.12","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N3 O -","- C14 H13 N3 O -","- C56 H52 N12 O4 -","4","1","","Messaoud, Mohamed Yacine Ameur; Bentabed-Ababsa, Ghenia; Hedidi, Madani; Derdour, Aïcha; Chevallier, Floris; Halauko, Yury S.; Ivashkevich, Oleg A.; Matulis, Vadim E.; Picot, Laurent; Thiéry, Valérie; Roisnel, Thierry; Dorcet, Vincent; Mongin, Florence","Deproto-metallation of N-arylated pyrroles and indoles using a mixed lithium-zinc base and regioselectivity-computed CH acidity relationship.","Beilstein journal of organic chemistry","2015","11","","1475","1485","10.3762/bjoc.11.160","","x-ray","0.71073","MoKα","","0.0505","0.0404","","","0.101","0.1081","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1529510","13.287","0.003","14.229","0.003","18.87","0.004","70.476","0.002","72.879","0.002","85.688","0.002","3212.4","1.2","120","2","120.15","","","","","","","","","5","P -1","-P 1","2","","","","- C35.33 H22.66 F34 N4 O2.33 -","- C35.3333 H22 F34 N4 O2.33333 -","- C106 H66 F102 N12 O7 -","3","1.5","","Kumari, Harshita; Armitage, Sarah E.; Kline, Steven R.; Damodaran, Krishna K.; Kennedy, Stuart R.; Atwood, Jerry L.; Steed, Jonathan W.","Fluorous 'ponytails' lead to strong gelators showing thermally induced structure evolution.","Soft matter","2015","11","43","8471","8478","10.1039/c5sm01865j","","","0.6889","synchrotron","","0.0692","0.0543","","","0.1567","0.1671","","","","","","1.089","","","","has coordinates","171376","2020-10-21","18:00:00",""
"1529571","5.7521","","5.7269","","12.541","","90","","90","","90","","413.122","","","","","","","","","","","","","4","A c m m","-A 2 2b","67","","Pb2 O F Cl","","- Cl F O Pb2 -","- Cl F O Pb2 -","- Cl4 F4 O4 Pb8 -","4","0.25","","Aurivillius, B.","A case of mimetic twinning the crystal structure of Pb2 O F X (X = Cl, Br and I)","Chemica Scripta","1977","11","","208","210","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529635","8.32","","8.32","","8.32","","90","","90","","90","","575.93","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Fe Mn Ga O4","","- Fe Ga Mn O4 -","- Fe Ga Mn O4 -","- Fe8 Ga8 Mn8 O32 -","8","0.0416667","","Bhalero, P.D.","X-ray study of the structure and ionic configuration of Fe Mn Ga O4","Journal of Physics C","1978","11","","1985","1988","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529711","5.484","","5.484","","5.177","","90","","90","","120","","134.835","","","","","","","","","","","","","3","P 63 2 2","P 6c 2c","182","","Li (I O3)","","- I Li O3 -","- I Li O3 -","- I2 Li2 O6 -","2","0.166667","","Butolin, S.A.; Belova, L.F.; Ivanova, N.M.; Samoylova, R.N.; Kotenko, O.M.; Dokuchaeva, I.M.","Optical and physico-chemical properties of alpha Li I O3 monocrystal","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1975","11","","862","865","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529824","9.92","","9.92","","11.606","","90","","90","","90","","1142.1","","","","","","","","","","","","","4","I -4 2 m","I -4 2","121","","Cs Sb Cl F3","","- Cl Cs F3 Sb -","- Cl Cs F3 Sb -","- Cl8 Cs8 F24 Sb8 -","8","0.5","","Ducourant, M.B.; Fourcade, R.; Mascherpa, G.","Sur les compsoes chlorofluores de l'antimoine III: etude structurale de Cs Sb Cl F3","Journal of Fluorine Chemistry","1978","11","","149","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529985","13.023","","8.7994","","5.8422","","90","","90.231","","90","","669.479","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Ca Fe2.83 (H Si2 O9)","","- Ca Fe2.83 H O9 Si2 -","- Ca Fe2.83 H O9 Si2 -","- Ca4 Fe11.32 H4 O36 Si8 -","4","1","","Ghose, S.; Marezio, M.; Hewat, A.W.","A neutron powder diffraction study of the crystal and magnetic structures of Ilvaite from 305K to 5K a mixed valence iron silicate with an electronic transition","Physics and Chemistry of Minerals (Germany)","1984","11","","67","74","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530351","6.0421","","6.0421","","7.4677","","90","","90","","120","","236.099","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Mg3 Nb6 O11 -","- Mg3 Nb6 O11 -","- Mg3 Nb6 O11 -","1","0.0833333","","Marinder, B.O.","Mg3 Nb6 O11 -an oxide containing isolated octahedra of niobium atoms. A structural determination and refinement from X-Ray powder film data","Chemica Scripta","1977","11","","97","101","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530613","6.251","","6.251","","6.251","","90","","90","","90","","244.258","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Y Po","","- Po Y -","- Po Y -","- Po4 Y4 -","4","0.0208333","","Prokin, E.S.; Ershova, Z.V.; Ermolaev, E.E.; Chebotarev, N.T.","Crystal structure of yttrium polonide","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1975","11","","1230","1232","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531364","9.606","","9.606","","9.606","","90","","90","","90","","886.396","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","K Sb O3 (K F).1667","","- F0.166667 K1.09333 O3 Sb -","- F0.166667 K1.09333 O3 Sb -","- F2 K13.12 O36 Sb12 -","12","0.25","","Goodenough, J.B.; Hong, H.; Kafalas, J.A.","Fast Na±Ion transport in skeleton structures","Materials Research Bulletin","1976","11","","203","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531365","9.306","","9.306","","9.306","","90","","90","","90","","805.915","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Na Sb O3 (Na F).1667","","- F0.1667 Na1.1667 O3 Sb -","- F0.166667 Na1.23333 O3 Sb -","- F2 Na14.8 O36 Sb12 -","12","0.25","","Goodenough, J.B.; Hong, H.Y.-P.; Kafalas, J.A.","Fast Na±Ion Transport in Skeleton Structures","Materials Research Bulletin","1976","11","","203","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531367","10.496","","10.496","","10.496","","90","","90","","90","","1156.3","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Rb Ta2 O5 F","","- F O5 Rb Ta2 -","- F1.0002 O4.9998 Rb Ta2 -","- F8.0016 O39.9984 Rb8 Ta16 -","8","0.0416667","","Goodenough, J.B.; Hong, H.Y.-P.; Kafalas, J.A.","Fast Na±Ion Transport in Skeleton Structures","Materials Research Bulletin","1976","11","","203","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531369","10.605","","10.605","","10.605","","90","","90","","90","","1192.7","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","K (Ta2 O5 F) (H2 O)","","- F H2 K O6 Ta2 -","- F1.0002 K O5.9998 Ta2 -","- F8.0016 K8 O47.9984 Ta16 -","8","0.0416667","","Goodenough, J.B.; Hong, H.Y.-P.; Kafalas, J.A.","Fast Na±ion transport in skeleton structures","Materials Research Bulletin","1976","11","","203","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531371","10.47","","10.47","","10.47","","90","","90","","90","","1147.73","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Na Ta2 O5 F (Na2 O).28","","- F Na1.56 O5.28 Ta2 -","- F1.0002 Na1.84 O4.9998 Ta2 -","- F8.0016 Na14.72 O39.9984 Ta16 -","8","0.0416667","","Goodenough, J.B.; Hong, H.Y.-P.; Kafalas, J.A.","Xast Na±Ion Transport in Skeleton Structures","Materials Research Bulletin","1976","11","","203","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531896","18.122","","20.457","","7.515","","90","","90","","90","","2785.97","","","","","","","","","","","","","5","C m c m","-C 2c 2","63","","Ca3.4 (Al7.4 Si40.6 O96) (H2 O)31","","- Al7.4 Ca3.4 H62 O127 Si40.6 -","- Al7.44 Ca3.38 O127.06 Si40.56 -","- Al7.44 Ca3.38 O127.06 Si40.56 -","1","0.0625","","Mortier, W.J.; Smith, J.V.; Pluth, J.J.","Positions of cations and molecules in zeolites with the mordenite-type framework, III. Rehydrated Ca-exchanged ptilolite","Materials Research Bulletin","1976","11","","15","22","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532065","5.126","","5.126","","13.878","","90","","90","","120","","315.802","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Ti2 O3","","- O3 Ti2 -","- O3 Ti2 -","- O18 Ti12 -","6","0.166667","","Rice, C.E.; Robinson, W.R.","Structural changes associated with the semiconductor-to-metal transition in Ti2 O3","Materials Research Bulletin","1976","11","","1355","1360","","","","","","","","","","","","","","","","","","","","","","has coordinates","157684","2020-10-21","18:00:00",""
"1532147","5.758","","5.758","","5.758","","90","","90","","90","","190.904","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- Ba Ca Dy2 F10 -","- Ba Ca0.9999 Dy2.0001 F10 -","- Ba Ca0.9999 Dy2.0001 F10 -","1","0.0208333","","Valon, P.; Cousseins, J.C.; Fong, F.K.; Vedrine, A.; Gacon, J.C.; Boulon, G.","Synthesis of ternary fluorides Ba Ca Ln2 F10 Eu2+ luminescence in Ba Ca Lu2 F10","Materials Research Bulletin","1976","11","","43","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1532250","3.855","","3.855","","12.455","","90","","90","","90","","185.094","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Eu2 (V O4)","","- Eu2 O4 V -","- Eu2 O4 V -","- Eu4 O8 V2 -","2","0.0625","","Shin-Ike, T.","Preparation and some properties of K2 Ni F4 Type Eu(II) vanadites","Materials Research Bulletin","1976","11","","1360","1365","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532368","11.397","","11.397","","11.397","","90","","90","","90","","1480.38","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ba Ca Lu2 F10","","- Ba Ca F10 Lu2 -","- Ba Ca0.9999 F10 Lu2.0001 -","- Ba8 Ca7.9992 F80 Lu16.0008 -","8","0.0416667","","Valon, P.; Cousseins, J.C.; Vedrine, A.; Gacon, J.C.; Boulon, G.; Fong, F.K.","Synthesis of ternary fluorides Ba Ca Ln2 F10 Eu2+ luminescence in Ba Ca Lu2 F10","Materials Research Bulletin","1976","11","","43","48","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1533499","11.8898","","11.8898","","11.8898","","90","","90","","90","","1680.83","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ti24 Fe28 Al67.24","","- Al67.24 Fe28 Ti24 -","- Al67.24 Fe28 Ti24 -","- Al67.24 Fe28 Ti24 -","1","0.00520833","","Grytsiv, A.V.; Ding Jinjun; Rogl, P.; Bouree, F.; Etourneau, J.; Chevalier, B.; Weill, F.; Andre, G.; Noel, H.; Hundegger, P.; Wiesinger, G.","Crystal chemistry of the G-phases in the systems Ti - (Fe, Co, Ni) - Al with a novel filled variant of the Th6 Mn23 type","Intermetallics","2003","11","","351","359","","","","","","","","","","","","","","","","","","","","","","has coordinates","159745","2020-10-21","18:00:00",""
"1533502","11.9356","","11.9356","","11.9356","","90","","90","","90","","1700.33","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ti32.49 Co28 Al59.51","","- Al59.51 Co28 Ti32.49 -","- Al59.512 Co28 Ti32.488 -","- Al59.512 Co28 Ti32.488 -","1","0.00520833","","Grytsiv, A.V.; Ding Jinjun; Etourneau, J.; Weill, F.; Rogl, P.; Noel, H.; Chevalier, B.; Andre, G.; Bouree, F.; Hundegger, P.; Wiesinger, G.","Crystal chemistry of the G-phases in the systems Ti - (Fe, Co, Ni) - Al with a novel filled variant of the Th6 Mn23 type","Intermetallics","2003","11","","351","359","","","","","","","","","","","","","","","","","","","","","","has coordinates","159749","2020-10-21","18:00:00",""
"1533505","11.8933","","11.8933","","11.8933","","90","","90","","90","","1682.31","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ti27.55 Ni28 Al63.73","","- Al63.73 Ni28 Ti27.55 -","- Al63.728 Ni28 Ti27.552 -","- Al63.728 Ni28 Ti27.552 -","1","0.00520833","","Grytsiv, A.V.; Ding Jinjun; Rogl, P.; Weill, F.; Chevalier, B.; Etourneau, J.; Bouree, F.; Andre, G.; Noel, H.; Hundegger, P.; Wiesinger, G.","Crystal chemistry of the G-phases in the systems Ti - (Fe, Co, Ni) - Al with a novel filled variant of the Th6 Mn23 type","Intermetallics","2003","11","","351","359","","","","","","","","","","","","","","","","","","","","","","has coordinates","159752","2020-10-21","18:00:00",""
"1533508","11.9071","","11.9071","","11.9071","","90","","90","","90","","1688.18","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ti24 Ni28 Al67.04","","- Al67.04 Ni28 Ti24 -","- Al67.04 Ni28 Ti24 -","- Al67.04 Ni28 Ti24 -","1","0.00520833","","Grytsiv, A.V.; Ding Jinjun; Chevalier, B.; Weill, F.; Rogl, P.; Etourneau, J.; Bouree, F.; Andre, G.; Hundegger, P.; Noel, H.; Wiesinger, G.","Crystal chemistry of the G-phases in the systems Ti - (Fe, Co, Ni) - Al with a novel filled variant of the Th6 Mn23 type","Intermetallics","2003","11","","351","359","","","","","","","","","","","","","","","","","","","","","","has coordinates","159756","2020-10-21","18:00:00",""
"1533511","12.0915","","12.0915","","12.0915","","90","","90","","90","","1767.83","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Ti50.64 Fe28 Al41.36","","- Al41.36 Fe28 Ti50.64 -","- Al41.36 Fe28 Ti50.64 -","- Al41.36 Fe28 Ti50.64 -","1","0.00520833","","Grytsiv, A.V.; Ding Jinjun; Etourneau, J.; Weill, F.; Rogl, P.; Chevalier, B.; Noel, H.; Wiesinger, G.; Andre, G.; Bouree, F.; Hundegger, P.","Crystal chemistry of the G-phases in the systems Ti - (Fe, Co, Ni) - Al with a novel filled variant of the Th6 Mn23 type","Intermetallics","2003","11","","351","359","","","","","","","","","","","","","","","","","","","","","","has coordinates","159759","2020-10-21","18:00:00",""
"1534175","14.28","","10.49","","7.32","","90","","90","","90","","1096.52","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(N H4)2 (Mo O Br5)","","- Br5 H8 Mo N2 O -","- Br5 H8 Mo N2 O -","- Br20 H32 Mo4 N8 O4 -","4","0.5","","Atovmyan, L.O.; D'yachenko, O.A.; Lobkovskii, E.B.","The X-Ray Crystal Structure of (N H4)2 Mo O Br5","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1970","11","","469","471","","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1534746","6.903","","4.1312","","8.482","","90","","90","","90","","241.887","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Lu Rh In","","- In Lu Rh -","- In Lu Rh -","- In4 Lu4 Rh4 -","4","0.5","","Lukachuk, M.; Zaremba, V.I.; Poettgen, R.","Synthesis and Crystal Structures of RERhIn (RE = Sm, Tb, Ho, Er, Tm, Yb, Lu)","Intermetallics","2003","11","","581","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534750","6.929","","4.141","","8.49","","90","","90","","90","","243.603","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Yb Rh In","","- In Rh Yb -","- In Rh Yb -","- In4 Rh4 Yb4 -","4","0.5","","Lukachuk, M.; Zaremba, V.I.; Poettgen, R.","Synthesis and Crystal Structures of RERhIn (RE = Sm, Tb, Ho, Er, Tm, Yb, Lu)","Intermetallics","2003","11","","581","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534754","7.4717","","7.4717","","3.8047","","90","","90","","120","","183.946","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Tm Rh In","","- In Rh Tm -","- In Rh Tm -","- In3 Rh3 Tm3 -","3","0.25","","Lukachuk, M.; Zaremba, V.I.; Poettgen, R.","Synthesis and Crystal Structures of RERhIn (RE = Sm, Tb, Ho, Er, Tm, Yb, Lu)","Intermetallics","2003","11","","581","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534758","7.465","","7.465","","3.8401","","90","","90","","120","","185.324","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Er Rh In","","- Er In Rh -","- Er In Rh -","- Er3 In3 Rh3 -","3","0.25","","Lukachuk, M.; Zaremba, V.I.; Poettgen, R.","Synthesis and Crystal Structures of RERhIn (RE = Sm, Tb, Ho, Er, Tm, Yb, Lu)","Intermetallics","2003","11","","581","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534762","7.4721","","7.4721","","3.8572","","90","","90","","120","","186.504","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Ho Rh In","","- Ho In Rh -","- Ho In Rh -","- Ho3 In3 Rh3 -","3","0.25","","Lukachuk, M.; Zaremba, V.I.; Poettgen, R.","Synthesis and Crystal Structures of RERhIn (RE = Sm, Tb, Ho, Er, Tm, Yb, Lu)","Intermetallics","2003","11","","581","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534765","7.48","","7.48","","3.904","","90","","90","","120","","189.166","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Tb Rh In","","- In Rh Tb -","- In Rh Tb -","- In3 Rh3 Tb3 -","3","0.25","","Lukachuk, M.; Zaremba, V.I.; Poettgen, R.","Synthesis and Crystal Structures of RERhIn (RE = Sm, Tb, Ho, Er, Tm, Yb, Lu)","Intermetallics","2003","11","","581","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534768","7.5093","","7.5093","","3.9752","","90","","90","","120","","194.128","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Sm Rh In","","- In Rh Sm -","- In Rh Sm -","- In3 Rh3 Sm3 -","3","0.25","","Lukachuk, M.; Zaremba, V.I.; Poettgen, R.","Synthesis and Crystal Structures of RERhIn (RE = Sm, Tb, Ho, Er, Tm, Yb, Lu)","Intermetallics","2003","11","","581","587","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535098","16.199","","16.199","","6.6485","","90","","90","","120","","1510.88","","","","","","","","","","","","","4","P 63","P 6c","173","","Cd5 (P O4)3 (O H)","","- Cd5 H O13 P3 -","- Cd5 O13 P3 -","- Cd30 O78 P18 -","6","1","","Hata, M.; Marumo, F.","Syntheses and superstructures of (Cd, M)5(PO4)3OH (M= Mn, Fe, Co, Ni, Cu, Hg)","Mineralogical Journal (Japan)","1983","11","","317","330","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535313","18.374","","18.374","","63.6678","","90","","90","","120","","18614.8","","","","","","","","","","","","","8","R 3 c :H","R 3 -2""c","161","","K12.75 Na4.5 ((Si W8 O31 Cu3 (O H) (H2 O)2 (N3))3 (N3)) (H2 O)24","","- Cu9 H63 K12.75 N12 Na4.5 O126 Si3 W24 -","- Cu9 K12.75 N12 Na4.5 O121.25 Si3 W24 -","- Cu54 K76.5 N72 Na27 O727.5 Si18 W144 -","6","0.333333","","Mialane, P.; Dolbecq, A.; Marrot, J.; Riviere, E.; Secheresse, F.","A Nonanuclear Copper(II) Polyoxometalate Assembled Around a mu-1,1,1,3,3,3-Azido Ligand and Its Parent Tetranuclear Complex","Chemistry - A European Journal","2005","11","","1771","1778","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535316","11.9946","","19.0711","","23.455","","90","","99.761","","90","","5287.67","","","","","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","K0.5 Na0.5 Cs11 ((Si W10 O36 Cu2 (H2 O) (N3)2)2) (H2 O)26 O0.5","","- Cs11 Cu4 H56 K0.5 N12 Na0.5 O100.5 Si2 W20 -","- Cs11 Cu4 K0.5 N12 Na0.5 O100.5 Si2 W20 -","- Cs22 Cu8 K N24 Na O201 Si4 W40 -","2","0.5","","Mialane, P.; Dolbecq, A.; Marrot, J.; Secheresse, F.; Riviere, E.","A Nonanuclear Copper(II) Polyoxometalate Assembled Around a mu-1,1,1,3,3,3-Azido Ligand and Its Parent Tetranuclear Complex","Chemistry - A European Journal","2005","11","","1771","1778","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535479","6.01","","9.13","","6.84","","90","","90","","90","","375.32","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Cu Cl2 (Cu (O H)2)3","","- Cl2 Cu4 H6 O6 -","- Cl2 Cu4 O6 -","- Cl4 Cu8 O12 -","2","0.25","","Brasseur, H.; Toussaint, J.","Structure cristalline de L'atacamite","Bulletin de la Societe Royal des Sciences de Liege","1942","11","","555","566","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535515","5.413","","9.368","","10.531","","90","","99.88","","90","","526.096","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","K Mg2.64 Ge3.72 Al.28 O10 F2","","- Al0.28 F2 Ge3.72 K Mg2.64 O10 -","- Al0.28 F2 Ge3.72 K Mg2.64 O10 -","- Al0.56 F4 Ge7.44 K2 Mg5.28 O20 -","2","0.25","","Toraya, H.; Marumo, F.","The crystal structure of a germanate mica K Mg2.5+x Ge4-2x Al2x O10 F2 (x= .14) and distortion of (Ge, Al) O4 tetrahedra","Mineralogical Journal (Japan)","1983","11","","222","231","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535519","5.285","","9.157","","10.19","","90","","99.97","","90","","485.695","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","K (Mg2.44 Mn.24) (Si3.82 Mn.18) O10 F2","","- F2 K Mg2.44 Mn0.42 O10 Si3.82 -","- F2 K Mg2.493 Mn0.417 O10 Si3.82 -","- F4 K2 Mg4.986 Mn0.834 O20 Si7.64 -","2","0.25","","Toraya, H.; Marumo, F.; Hirao, M.","Synthesis and the crystal structure of a manganoan fluoromica, K (Mg2.44 Mn.24) (Si3.82 Mn.18) O10 F2","Mineralogical Journal (Japan)","1983","11","","240","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535666","6.805","","9.124","","13.13","","93.83","","94.26","","110.94","","755.458","","","","","","","","","","","","","4","P -1","-P 1","2","","(S2 (Fe (C O)3)3)","","- C9 Fe3 O9 S2 -","- C9 Fe3 O9 S2 -","- C18 Fe6 O18 S4 -","2","1","","Huebener, P.; Weiss, E.","Enneacoarbnyl di-mue3-thion triiron (2Fe-Fe), C9 Fe3 O9 S2","Crystal Structure Communications","1982","11","","331","336","","","","","","","","","","","","","","","","","","","","","","has coordinates","163106","2020-10-21","18:00:00",""
"1536096","15.309","","13.057","","15.305","","90","","115.75","","90","","2755.52","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Cu I)8 P8.7 As3.3","","- As3.3 Cu8 I8 P8.7 -","- As3.302 Cu8.021 I8 P8.7 -","- As13.208 Cu32.084 I32 P34.8 -","4","1","","Jayasekera, B.; Lo, A.Y.H.; Brock, S.L.; Schurko, R.W.; Nazri, G.A.","Structure-property correlations in solid solutions of (Cu I)8 P(12-x) As(x), 2.4 <= x <= 6.6","Chemistry - A European Journal","2005","11","","3762","3772","","","","","","","","","","","","","","","","","","","","","","has coordinates","163695","2020-10-21","18:00:00",""
"1536439","5.69484","","5.69484","","7.33013","","90","","90","","120","","205.876","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","K2 C O3","","- C K2 O2.4999 -","- C K2 O2.99988 -","- C2 K4 O5.99976 -","2","0.0833333","","Dinnebier, R.E.; Vensky, S.; Jansen, M.; Hanson, J.C.","Crystal Structures and Topochemical Aspects of the High-Temperature Phases and Decomposition Products of the Alkali-Metal Oxalates M2 [C2 O4] (M = K, Rb, Cs)","Chemistry - A European Journal","2005","11","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536441","5.89596","","5.89596","","7.80268","","90","","90","","120","","234.9","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Rb2 (C O3)","","- C O3 Rb2 -","- C O2.99988 Rb2 -","- C2 O5.99976 Rb4 -","2","0.0833333","","Dinnebier, R.E.; Vensky, S.; Jansen, M.; Hanson, J.C.","Crystal structures and topochemical aspects of the high-temperature phases and decomposition products of the alkali-metal oxalates M2 [C2 O4] (M = K, Rb, Cs)","Chemistry - A European Journal","2005","11","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536445","7.684","","5.8912","","10.1437","","90","","90","","90","","459.185","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Rb2 (C O3)","","- C O3 Rb2 -","- C O3 Rb2 -","- C4 O12 Rb8 -","4","0.5","","Dinnebier, R.E.; Hanson, J.C.; Jansen, M.; Vensky, S.","Crystal structures and topochemical aspects of the high-temperature phases and decomposition products of the alkali-metal oxalates M2 [C2 O4] (M = K, Rb, Cs)","Chemistry - A European Journal","2005","11","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536449","5.8745","","10.129","","7.30725","","90","","97.2921","","90","","431.285","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Rb2 (C O3)","","- C O3 Rb2 -","- C O3 Rb2 -","- C4 O12 Rb8 -","4","1","","Dinnebier, R.E.; Vensky, S.; Jansen, M.; Hanson, J.C.","Crystal structures and topochemical aspects of the high-temperature phases and decomposition products of the alkali-metal oxalates M2 [C2 O4] (M = K, Rb, Cs)","Chemistry - A European Journal","2005","11","","1119","1129","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536833","12.8306","","14.9701","","21.702","","79.23","","89.227","","86.51","","4087.39","","","","","","","","","","","","","5","P -1","-P 1","2","","Na16 ((Y4 (O H)4 (H2 O)8) (P2 W15 O56)2) (H2 O)42","","- Na4 O158 P4 W30 Y4 -","- Na4 O158 P4 W30 Y4 -","- Na4 O158 P4 W30 Y4 -","1","0.5","","Fang Xikui; Hill, C.L.; Anderson, T.M.; Benelli, C.","Polyoxometalate-supported Y- and YbIII-hydroxo/oxo clusters from carbonate-assisted hydrolysis","Chemistry - A European Journal","2005","11","","712","718","","","","","","","","","","","","","","","","","","","","","","has coordinates","164713","2020-10-21","18:00:00",""
"1536950","7.5385","","4.4027","","8.6627","","90","","90","","90","","287.513","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Eu Pd Mg","","- Eu Mg Pd -","- Eu Mg Pd -","- Eu4 Mg4 Pd4 -","4","0.5","","Kraft, R.; Fickenscher, T.; Kotzyba, G.; Hoffmann, R.D.; Poettgen, R.","Intermetallic Rare Earth (RE) Magnesium Compounds REPdMg and RE2Pd2Mg","Intermetallics","2003","11","","111","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536953","7.294","","4.243","","8.505","","90","","90","","90","","263.216","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Yb Pd Mg","","- Mg Pd Yb -","- Mg Pd Yb -","- Mg4 Pd4 Yb4 -","4","0.5","","Kraft, R.; Fickenscher, T.; Kotzyba, G.; Hoffmann, R.D.; Poettgen, R.","Intermetallic Rare Earth (RE) Magnesium Compounds REPdMg and RE2Pd2Mg","Intermetallics","2003","11","","111","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536956","7.744","","7.744","","3.9337","","90","","90","","90","","235.902","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Nd2 Pd2.11 Mg0.89","","- Mg0.89 Nd2 Pd2.11 -","- Mg0.887 Nd2 Pd2.113 -","- Mg1.774 Nd4 Pd4.226 -","2","0.125","","Kraft, R.; Fickenscher, T.; Hoffmann, R.D.; Kotzyba, G.; Poettgen, R.","Intermetallic Rare Earth (RE) Magnesium Compounds REPdMg and RE2Pd2Mg","Intermetallics","2003","11","","111","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","164872","2020-10-21","18:00:00",""
"1536959","7.6256","","7.6256","","3.8055","","90","","90","","90","","221.289","","","","","","","","","","","","","3","P 4/m b m","-P 4 2ab","127","","Tb2 Pd2 Mg","","- Mg Pd2 Tb2 -","- Mg Pd2 Tb2 -","- Mg2 Pd4 Tb4 -","2","0.125","","Kraft, R.; Fickenscher, T.; Hoffmann, R.D.; Kotzyba, G.; Poettgen, R.","Intermetallic Rare Earth (RE) Magnesium Compounds REPdMg and RE2Pd2Mg","Intermetallics","2003","11","","111","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537066","7.07","","7.07","","7.07","","90","","90","","90","","353.393","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","Li2 (S O4)","","- O4 S -","- O4 S -","- O16 S4 -","4","0.0416667","","Forland, T.; Krogh-Moe, J.","The structure of the high temperature modification of lithium sulfate","Acta Chemica Scandinavica (1-27,1973-42,1988)","1957","11","","565","567","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537343","18.06","","11.58","","6.99","","90","","114","","90","","1335.47","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","(N H4)6 Zr2 (O H)2 (C O3)6 (H2 O)3","","- C6 H32 N6 O23 Zr2 -","- C6 N6 O23 Zr2 -","- C12 N12 O46 Zr4 -","2","0.5","","Gorbunova, Yu.E.; Novitskaya, G.N.; Kuznetsov, V.G.","Crystal structure of (N H4)6 (Zr2 (O H)2 (C O3)6) (H2 O)3","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1970","11","","560","562","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1537471","9.094","","10.437","","15.464","","90","","109.49","","90","","1383.65","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Na6 Ge2 S7","","- Ge2 Na6 S7 -","- Ge2 Na6 S7 -","- Ge8 Na24 S28 -","4","0.5","","Jumas, J.C.; Philippot, E.; Olivier-Fourcade, J.; Vermot-Gaud-Daniel, F.; Maurin, M.; Ribes, M.","Etude structurale de thiocomposes a groupements anioniques de type -pyro-, Na6 X2 S7 (X = Ge, Sn) et Ba3 Sn2 S7","Revue de Chimie Minerale","1974","11","","13","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","165671","2020-10-21","18:00:00",""
"1537472","9.395","","10.719","","15.671","","90","","109.97","","90","","1483.26","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Na6 Sn2 S7","","- Na6 S7 Sn2 -","- Na6 S7 Sn2 -","- Na24 S28 Sn8 -","4","0.5","","Jumas, J.C.; Olivier-Fourcade, J.; Philippot, E.; Vermot-Gaud-Daniel, F.; Ribes, M.; Maurin, M.","Etude structurale de thiocomposes a groupements anioniques de type -pyro-, Na6 X2 S7 (X = Ge, Sn) et Ba3 Sn2 S7","Revue de Chimie Minerale","1974","11","","13","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","165672","2020-10-21","18:00:00",""
"1537473","11.073","","6.771","","18.703","","90","","100.77","","90","","1377.56","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Ba3 (Sn2 S7)","","- Ba3 S7 Sn2 -","- Ba3 S7 Sn2 -","- Ba12 S28 Sn8 -","4","1","","Jumas, J.C.; Olivier-Fourcade, J.; Ribes, M.; Vermot-Gaud-Daniel, F.; Philippot, E.; Maurin, M.","Etude structurale de thiocomposes a groupements anioniques de type -pyro-, Na6 X2 S7 (X= Ge, Sn) et Ba3 Sn2 S7","Revue de Chimie Minerale","1974","11","","13","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","165673","2020-10-21","18:00:00",""
"1537627","7.098","","7.098","","7.098","","90","","90","","90","","357.609","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ni2 Np -","- Ni2 Np -","- Ni16 Np8 -","8","0.0416667","","Aldred, A.T.; Lander, G.H.; Dunlap, B.D.; Lam, D.J.; Mueller, M.H.; Nowik, I.","Magnetic properties of neptunium Laves phases: Np Mn2, Np Fe2, Np Co2, and Np Ni2","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1975","11","","530","544","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537800","4.1544","","4.1544","","9.7618","","90","","90","","90","","168.479","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Rh2 U Ge2","","- Ge2 Rh2 U -","- Ge2 Rh2 U -","- Ge4 Rh4 U2 -","2","0.0625","","Dirkmaat, A.J.; Endstra, T.; Menovsky, A.A.; Nieuwenhuys, G.J.; Mydosh, J.A.","Magnetic, thermal and transport properties of U Rh2 Ge2","Europhysics Letters","1990","11","","275","280","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537892","11.3","","6.6","","8.1","","90","","135","","90","","427.162","","","","","","","","","","","","","2","C 1 2/m 1 (a,b,a+2*c)","-C 2y (x-1/2*z,y,1/2*z)","12","","V5 S8","","- S8 V5 -","- S8 V5 -","- S32 V20 -","4","","","de Vries, A.B.; Jellinek, F.","A structural study of vanadium sulfides","Revue de Chimie Minerale","1974","11","","624","636","","","","","","","","","","","","","","","","","","","","","","has coordinates","166273","2020-10-21","18:00:00",""
"1537894","12.599","","3.282","","5.867","","90","","115.66","","90","","218.675","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","V3 S4","","- S4 V3 -","- S4 V3 -","- S8 V6 -","2","0.25","","de Vries, A.B.; Jellinek, F.","A structural study of vanadium sulfides","Revue de Chimie Minerale","1974","11","","624","636","","","","","","","","","","","","","","","","","","","","","","has coordinates","166276","2020-10-21","18:00:00",""
"1538097","3.242","","3.242","","3.242","","90","","90","","90","","34.075","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Nb3 Pd)0.5","","- Nb1.5 Pd0.5 -","- Nb1.5 Pd0.5 -","- Nb1.5 Pd0.5 -","1","0.0104167","","Giessen, B.C.; Grant, N.J.; Parker, D.P.; Manuszewski, R.C.; Waterstrat, R.M.","The niobium (columbium)-palladium constitution diagram","Metallurgical Transactions A: Physical Metallurgy and Materials Science","1980","11","","709","715","","","","","","","","","","","","","","","","","","","","","","has coordinates","166523","2020-10-21","18:00:00",""
"1538099","3.905","","3.905","","3.905","","90","","90","","90","","59.547","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Nb9 Pd41)0.08","","- Nb0.72 Pd3.28 -","- Nb0.72 Pd3.28 -","- Nb0.72 Pd3.28 -","1","0.00520833","","Giessen, B.C.; Grant, N.J.; Parker, D.P.; Waterstrat, R.M.; Manuszewski, R.C.","The niobium (columbium)-palladium constitution diagram","Metallurgical Transactions A: Physical Metallurgy and Materials Science","1980","11","","709","715","","","","","","","","","","","","","","","","","","","","","","has coordinates","166525","2020-10-21","18:00:00",""
"1538101","3.895","","3.895","","7.913","","90","","90","","90","","120.048","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Nb Pd3 -","- Nb Pd3 -","- Nb2 Pd6 -","2","0.0625","","Giessen, B.C.; Parker, D.P.; Grant, N.J.; Manuszewski, R.C.; Waterstrat, R.M.","The niobium (columbium)-palladium constitution diagram","Metallurgical Transactions A: Physical Metallurgy and Materials Science","1980","11","","709","715","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538218","3.587","","3.587","","3.587","","90","","90","","90","","46.152","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ni93 Sb7)0.04","","- Ni3.72 Sb0.28 -","- Ni3.72 Sb0.28 -","- Ni3.72 Sb0.28 -","1","0.00520833","","Ido, Tadashi; Matsui, Masaaki; Sato, Kiyoo; Adachi, Kengo","Non-existence of Ni~15~Sb in Ni-Sb system","Transactions of the Japan Institute of Metals","1970","11","2","139","140","10.2320/matertrans1960.11.139","","","","","","","","","","","","","","","","","","","","","has coordinates","176270","2020-10-21","18:00:00",""
"1538249","8.218","","8.218","","8.218","","90","","90","","90","","555.007","","","","","","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","","Mg Tm2 S4","","- Mg S4 Tm2 -","- Mg0.999 S4 Tm2.001 -","- Mg3.996 S16 Tm8.004 -","4","0.0833333","","Hirota, K.; Kume, S.; Kinomura, N.; Koizumi, M.","Transition of sulfospinel to Th3P4 type phase under pressure","Materials Research Bulletin","1976","11","","227","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538251","8.22","","8.22","","8.22","","90","","90","","90","","555.412","","","","","","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","","Mn Tm2 S4","","- Mn S4 Tm2 -","- Mn0.999 S4 Tm2.001 -","- Mn3.996 S16 Tm8.004 -","4","0.0833333","","Hirota, K.; Kinomura, N.; Kume, S.; Koizumi, M.","Transition of sulfospinel to Th3P4 type phase under pressure","Materials Research Bulletin","1976","11","","227","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538253","8.202","","8.202","","8.202","","90","","90","","90","","551.772","","","","","","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","","Mn Yb2 S4","","- Mn S4 Yb2 -","- Mn0.999 S4 Yb2.001 -","- Mn3.996 S16 Yb8.004 -","4","0.0833333","","Hirota, K.; Kinomura, N.; Kume, S.; Koizumi, M.","Transition of sulfospinel to Th3P4 type phase under pressure","Materials Research Bulletin","1976","11","","227","232","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538574","5.89","","5.89","","5.89","","90","","90","","90","","204.336","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Sm3 Yb S4","","- S4 Sm3 Yb -","- S4 Sm3 Yb -","- S4 Sm3 Yb -","1","0.00520833","","Jayaraman, A.; Dernier, P.; Longinotti, L.D.","Study of the valence transition in Sm S induced by alloying, temperature, and pressure","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1975","11","","2783","2794","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538601","4.968","","4.968","","4.968","","90","","90","","90","","122.615","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Mo3 Os -","- Mo3 Os -","- Mo6 Os2 -","2","0.0416667","","Johnston, D.C.","Superconductivity in the pseudo-binary A-15 compounds Mo3 Os1-x Rux and Mo3 Ir1-x Rux","Solid State Communications","1972","11","","1751","1754","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538619","4.96","","4.96","","4.03","","90","","90","","120","","85.862","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Nd Ni5 -","- Nd Ni5 -","- Nd Ni5 -","1","0.0416667","","Kalychak, Ya.M.; Oniskovets, B.D.; Bodak, O.I.","The Nd-Mn-Ni system","Izvestiya Vysshikh Uchebnykh Zavedenii, Tsvetnaya Metallurgiya","1983","11","","227","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538659","6.656","","6.656","","12.459","","90","","90","","120","","478.014","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Mn Nb4 S8 -","- Mn Nb4 S8 -","- Mn2 Nb8 S16 -","2","0.166667","","le Blanc-Soreau, A.; Gardette, M.F.; Rouxel, J.; Gorochov, O.","Proprietes electriques et magnetiques de Mn0,25 Nb S2 et Mn0,33 Nb S2","Materials Research Bulletin","1976","11","","1061","1061","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538752","2.75","","2.75","","4.432","","90","","90","","120","","29.027","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Re Tc -","- Re Tc -","- Re Tc -","1","0.0416667","","Niemiec, J.","X-ray analysis of technetium binary alloys with tungsten and rhenium","Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques","1963","11","","311","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538754","2.751","","2.751","","4.438","","90","","90","","120","","29.087","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mo0.3 Tc1.7 -","- Mo0.3 Tc1.7 -","- Mo0.3 Tc1.7 -","1","0.0416667","","Niemiec, J.","X-ray analysis of technetium-molybdenum alloys","Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques","1963","11","","305","309","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538765","5.1181","","5.1181","","5.1181","","90","","90","","90","","134.068","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Pr Th -","- Pr Th -","- Pr2 Th2 -","2","0.0104167","","Norman, M.; Harris, I.R.; Raynor, G.V.","The lattice spacings of thorium-rich solid solutions with praseodymium, samarium, gadolinium and erbium","Journal of the Less-Common Metals","1966","11","","395","402","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538896","11.57","","4.19","","4.46","","90","","90","","90","","216.213","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","Sn Se","","- Se Sn -","- Se Sn -","- Se4 Sn4 -","4","0.5","","Okazaki, A.","The crystal structure of stannous selenide Sn Se","Journal of the Physical Society of Japan","1956","11","","470","470","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539108","7.08","","7.08","","38.975","","90","","90","","120","","1691.93","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Nb3 Br8","","- Br8 Nb3 -","- Br8 Nb3 -","- Br48 Nb18 -","6","0.166667","","Simon, A.; von Schnering, H.G.","Nb3 Br8-beta und Mb3 I8-beta Darstellung, Eigenschaften und Struktur","Journal of the Less-Common Metals","1966","11","","31","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","167862","2020-10-21","18:00:00",""
"1539109","7.6","","7.6","","41.715","","90","","90","","120","","2086.65","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Nb3 I8","","- I8 Nb3 -","- I8 Nb3 -","- I48 Nb18 -","6","0.166667","","Simon, A.; von Schnering, H.G.","Nb3 Br8-beta und Nb3 I8-beta Darstellung, Eigenschaften und Struktur","Journal of the Less-Common Metals","1966","11","","31","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","167863","2020-10-21","18:00:00",""
"1539145","4.805","","10.189","","5.801","","91","","90","","90","","283.963","","","","","","","","","","","","","3","P 21/b 1 1","-P 2xab","14","","Fe1.58 (Si O4)","","- Fe1.58 O4 Si -","- Fe1.58 O4 Si -","- Fe6.32 O16 Si4 -","4","1","","Tamada, O.; Shen, B.; Morimoto, N.","The crystal structure of laihunite (Fe0.8 Fe0.8 Si O4)","Mineralogical Journal (Japan)","1983","11","","382","391","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539305","6.18","","6.75","","3.82","","90","","90","","112","","147.748","","","","","","","","","","","","","4","P 1 1 21/m","-P 2c","11","","Sm (O H)2 Cl","","- Cl H2 O2 Sm -","- Cl O2 Sm -","- Cl2 O4 Sm2 -","2","0.5","","Tarkhova, T.N.; Mironov, N.N.; Grishin, I.A.","The structure of basic samarium chloride","Zhurnal Strukturnoi Khimii (Issue-No. from 1981)","1970","11","","556","557","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539365","4.805","","10.189","","17.403","","91","","90","","90","","851.889","","","","","","","","","","","","","4","P 21/b 1 1","-P 2xab","14","","(Fe1.568 Mg.027) (Si O4)","","- Fe1.568 Mg0.027 O4 Si -","- Fe1.56767 Mg0.0266667 O4 Si -","- Fe18.812 Mg0.32 O48 Si12 -","12","3","","Shen, B.; Tamada, O.; Kitamura, M.; Morimoto, N.","Superstructure of laihunite-3M (Fe0.8 Fe0.8 Si O4)","Mineralogical Journal (Japan)","1983","11","","382","391","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539521","4.09","","4.09","","4.09","","90","","90","","90","","68.418","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Ag3.892 Bi0.108 -","- Ag3.892 Bi0.108 -","- Ag3.892 Bi0.108 -","1","0.00520833","","Akopyan, R.A.; Mamedova, S.Kh.; Kerimov, B.R.","Investigation of the retrograde solidus curves in the Ag-Pb and Ag-Bi systems","Izvestiya Vysshikh Uchebnykh Zavedenii, Tsvetnaya Metallurgiya","1983","11","","476","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539543","6.125","","6.125","","5.653","","90","","90","","120","","183.663","","","","","","","","","","","","","2","P 63/m c m","-P 6c 2","193","","Ru Cl3","","- Cl3 Ru -","- Cl3 Ru -","- Cl6 Ru2 -","2","0.0833333","","von Schnering, H.G.; Brodersen, K.; Moers, F.; Breitbach, H.K.; Thiele, G.","Strukturuntersuchungen an Ru Cl3-beta, Ru Br3 und Ru","Journal of the Less-Common Metals","1966","11","","288","289","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539567","4.96","","4.96","","4.96","","90","","90","","90","","122.024","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- In3 Th -","- In3 Th -","- In3 Th -","1","0.0208333","","van Vucht, J.H.N.","Influence of radius ratio on the structure of intermetallic compounds of the AB3 type","Journal of the Less-Common Metals","1966","11","","308","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539569","4.941","","4.941","","4.941","","90","","90","","90","","120.627","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- La Pb3 -","- La Pb3 -","- La Pb3 -","1","0.0208333","","van Vucht, J.H.N.","Influence of radius ratio on the structure of intermetallic compounds of the AB3 type","Journal of the Less-Common Metals","1966","11","","308","322","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539585","13.509","","13.509","","13.408","","90","","90","","120","","2119.05","","","","","","","","","","","","","5","P 3 2 1","P 3 2""","150","","(N H4)2 (Al2 Si2 O8) (H2 O)2.86","","- Al2 H13.72 N2 O10.86 Si2 -","- Al2 N2 O10.8571 Si2 -","- Al14 N14 O76 Si14 -","7","1.16667","","Andries, K.J.; Bosmans, H.J.; Grobet, P.J.","The crystal structure of zeolite Linde Q: A proposal based on powder x-ray diffraction and 27Al and 29Si MAS n.m.r. spectroscopy","Zeolites","1991","11","","124","131","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540125","20.1122","","19.93309","","13.4263","","90","","90","","90","","5382.58","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Tl3.35 (Al3.43 Si92.57 O192) (H2 O)27.14","","- Al3.43 H54.28 O219.14 Si92.57 Tl3.35 -","- Al3.4272 O219.14 Si92.5728 Tl3.3504 -","- Al3.4272 O219.14 Si92.5728 Tl3.3504 -","1","0.125","","Huddersman, K.D.; Rees, L.V.C.","X-ray powder diffraction determination of the location of thallium cations in hydrated ZSM-5","Zeolites","1991","11","","270","276","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540299","20.1","","19.932","","13.431","","90","","90","","90","","5380.9","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","Cs.4 (Al.9 Si23.1 O48) (H2 O)2.4","","- Al0.9 Cs0.4 H4.8 O50.4 Si23.1 -","- Al0.96 Cs0.4 O50.4 Si23.04 -","- Al3.84 Cs1.6 O201.6 Si92.16 -","4","0.5","","Lin, J.; Chao, K.; Wang, Y.","The location of cations in Cs-exchanged ZSM-5 zeolite","Zeolites","1991","11","","376","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540301","20.08","","19.925","","13.404","","90","","90","","90","","5362.86","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cs.4 (Al.9 Si23.1 O48)","","- Al0.9 Cs0.4 O48 Si23.1 -","- Al0.96 Cs0.4 O48 Si23.04 -","- Al3.84 Cs1.6 O192 Si92.16 -","4","0.5","","Lin, J.; Wang, Y.; Chao, K.","The location of cations in Cs-exchanged ZSM-5 zeolite","Zeolites","1991","11","","376","379","","","","","","","","","","","","","","","","","","","","","","has coordinates","169554","2020-10-21","18:00:00",""
"1540311","20.073","","20.073","","13.403","","90","","90","","90","","5400.41","","","","","","","","","","","","","5","I -4 m 2","I -4 -2","119","","Na1.68 H6.32 (Ga8 Si88 O192)","","- Ga8 H6.32 Na1.68 O192 Si88 -","- Ga7.9968 Na1.68 O192 Si88.0032 -","- Ga7.9968 Na1.68 O192 Si88.0032 -","1","0.0625","","Liu, X.; Liang, J.; Lin, B.; Wei, C.","Study on the structure of GaZSM-11 zeolite","Cuihua Xuebao","1990","11","","196","203","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540330","8.297","","9.417","","5.413","","90","","90","","90","","422.933","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Tl1.1 (Al Si O4)","","- Al O4 Si Tl1.1 -","- Al O4 Si Tl1.1 -","- Al4 O16 Si4 Tl4.4 -","4","1","","Krogh Andersen, I.G.; Krogh Andersen, E.; Norby, P.; Colella, C.; de'Gennaro, M.","Synthesis and structure of an ABW type thallium alumosilicate","Zeolites","1991","11","","149","154","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540821","5.34","","5.34","","5.34","","90","","90","","90","","152.273","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","Nb3 Sn H","","- H Nb3 Sn -","- H0.99 Nb3 Sn -","- H1.98 Nb6 Sn2 -","2","0.0416667","","Vieland, L.J.; Wicklund, A.W.; White, J.G.","Structure and properties of Nb3 Sn Hx","Physical Review, Serie 3. B - Solid State (1,1970-17,1977)","1975","11","","3311","3316","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540963","25.07","","25.07","","25.07","","90","","90","","90","","15756.6","","","","","","","","","","","","","6","F d -3 :2","-F 2uv 2vw 3","203","","K54.08 Na13.44 (Al96 Si96 O384) (H2 O)110.4","","- Al96 H220.8 K54.08 Na13.44 O494.4 Si96 -","- Al96 K54.08 Na13.44 O494.4 Si96 -","- Al96 K54.08 Na13.44 O494.4 Si96 -","1","0.0104167","","Shepelev, Yu.F.; Smolin, Yu.I.; Butikova, I.K.","Crystal structures of the partially K-, Rb-, and Cs-exchanged forms of NaX zeolite in both the hydrated and the dehydrated (400 C) states","Zeolites","1991","11","","287","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540964","24.86","","24.86","","24.86","","90","","90","","90","","15364","","","","","","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","K57.44 Na42.76 (Al96 Si96 O384)","","- Al96 K57.44 Na42.76 O384 Si96 -","- Al96 K57.44 Na42.7616 O384 Si96 -","- Al96 K57.44 Na42.7616 O384 Si96 -","1","0.0104167","","Shepelev, Yu.F.; Butikova, I.K.; Smolin, Yu.I.","Crystal structures of the partially K-, Rb-, and Cs-exchanged forms of NaX zeolite in both the hydrated and the dehydrated (400 C) states","Zeolites","1991","11","","287","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","172155","2020-10-21","18:00:00",""
"1540965","25.12","","25.12","","25.12","","90","","90","","90","","15851.1","","","","","","","","","","","","","6","F d -3 :2","-F 2uv 2vw 3","203","","Rb35.2 Na31.36 (Al96 Si96 O384) (H2 O)134.56","","- Al96 H269.12 Na31.36 O518.56 Rb35.2 Si96 -","- Al96 Na31.36 O518.56 Rb35.2 Si96 -","- Al96 Na31.36 O518.56 Rb35.2 Si96 -","1","0.0104167","","Shepelev, Yu.F.; Butikova, I.K.; Smolin, Yu.I.","Crystal structures of the partially K-, Rb-, and Cs-exchanged forms of NaX zeolite in both the hydrated and the dehydrated (400 C) states","Zeolites","1991","11","","287","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540966","24.98","","24.98","","24.98","","90","","90","","90","","15587.5","","","","","","","","","","","","","5","F d -3 :2","-F 2uv 2vw 3","203","","Cs44.8 Na54.4 (Al96 Si96 O384)","","- Al96 Cs44.8 Na54.4 O384 Si96 -","- Al96 Cs44.8 Na54.4 O384 Si96 -","- Al96 Cs44.8 Na54.4 O384 Si96 -","1","0.0104167","","Shepelev, Yu.F.; Butikova, I.K.; Smolin, Yu.I.","Crystal structures of the partially K-, Rb-, and Cs-exchanged forms of NaX zeolite in both the hydrated and the dehydrated (400 C) states","Zeolites","1991","11","","287","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","172157","2020-10-21","18:00:00",""
"1541221","18.9752","","18.9752","","8.1044","","90","","90","","120","","2527.11","","","","","","","","","","","","","4","P 63","P 6c","173","","Al (P O4) (H2 O)2.33","","- Al H4.66 O6.33 P -","- Al O6.33333 P -","- Al18 O114 P18 -","18","3","","McCusker, L.B.; Baerlocher, C.; Jahn, E.; Buelow, M.","The triple helix inside the large-pore aluminophosphate molecular sieve VPI-5","Zeolites","1991","11","","308","313","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541223","3.95","","3.95","","6.64","","90","","90","","120","","89.721","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","Zr Te","","- Te Zr -","- Te Zr -","- Te2 Zr2 -","2","0.0833333","","McTaggart, F.K.; Wadsley, A.D.","The sulphides, selenides, and tellurides of titanium, zirconium, hafnium, and thorium. I. Preparation and characterization","Australian Journal of Chemistry","1958","11","","445","457","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541266","3.30256","","3.30256","","3.30256","","90","","90","","90","","36.021","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","","","","- Ta -","- Ta -","- Ta2 -","2","0.0208333","","Mueller, M. H.","The lattice parameter of tantalum","Scripta Metallurgica","1977","11","8","693","693","10.1016/0036-9748(77)90141-7","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541291","13.797","","13.797","","14.849","","90","","90","","120","","2447.92","","","","","","","","","","","","","8","R -3 :H","-R 3","148","","Co.16 (Si.16 Al.84 P.84 O4) (H2 O).2 (C3 H7 (N H2)).18","","- C0.54 H2.02 Al0.84 Co0.16 N0.18 O4.2 P0.84 Si0.16 -","- C0.54 Al0.84 Co0.16 N0.18 O4.2 P0.84 Si0.16 -","- C9.72 Al15.12 Co2.88 N3.24 O75.6 P15.12 Si2.88 -","18","1","","Nardin, G.; Kaucic, V.; Randaccio, L.; Rajic, N.","The structure of CoSAPO-34, containing i-propylamine as a template","Zeolites","1991","11","","192","194","","","","","","","","","","","","","","","","","","","","","","has coordinates","172585","2020-10-21","18:00:00",""
"1541309","3.177","","3.177","","3.177","","90","","90","","90","","32.067","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","","","- Tc W -","- Tc W -","- Tc W -","1","0.0104167","","Niemiec, J.","X-ray analysis of technetium binary alloys with tungsten and rhenium","Bulletin de l'Academie Polonaise des Sciences, Serie des Sciences Chimiques","1963","11","","311","316","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541317","12.4328","","12.4328","","4.9692","","90","","90","","120","","665.204","","","","","","","","","","","","","6","P 63","P 6c","173","","Li4.56 Cs1.5 (Al6 Si6 O24) (H2 O)5.58","","- Al6 Cs1.5 H11.16 Li4.56 O29.58 Si6 -","- Al6 Cs1.5 Li4.56 O29.58 Si6 -","- Al6 Cs1.5 Li4.56 O29.58 Si6 -","1","0.166667","","Norby, P.; Krogh Andersen, I.G.; Colella, C.; Krogh Andersen, E.; de'Gennaro, M.","Synthesis and structure of lithium cesium and lithium thallium cancrinites","Zeolites","1991","11","","248","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541397","8.509","","8.509","","8.509","","90","","90","","90","","616.078","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Zn2 (Pd O4)","","- O4 Pd Zn2 -","- O4 Pd Zn2 -","- O32 Pd8 Zn16 -","8","0.0416667","","Demazeau, G.; Hagenmuller, P.; Pouchard, M.; Omeran, I.","Sur une nouvelle phase oxygene du palladium +IV : Zn2 Pd O4","Materials Research Bulletin","1976","11","","1449","1452","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541405","7.91","","7.91","","7.91","","90","","90","","90","","494.914","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Sr (Co0.67 W0.33 O3)","","- Co0.67 O3 Sr W0.33 -","- Co0.66 O3 Sr W0.33 -","- Co5.28 O24 Sr8 W2.64 -","8","0.0416667","","Harari, D.; Poix, D.; Bernier, J.D.","Etude structurale de quatre nouvelles perovskites au cobalt","Journal of Solid State Chemistry","1974","11","","330","339","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541406","8.181","","8.181","","8.181","","90","","90","","90","","547.544","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","Ba3 Co2 Te O9","","- Ba3 Co2 O9 Te -","- Ba3 Co2 O9 Te -","- Ba6 Co4 O18 Te2 -","2","0.0104167","","Harari, D.; Poix, P.; Bernier, J.D.","Etude structurale de quatre nouvelles perovskites au cobalt","Journal of Solid State Chemistry","1974","11","","330","339","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541678","10.57","","10.77","","9.25","","90","","102.6","","90","","1027.65","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(H3 O) In (S O4)2 (H2 O)4","","- H11 In O13 S2 -","- H11 In O13 S2 -","- H44 In4 O52 S8 -","4","1","","Caminiti, R.; Marongiu, G.; Paschina, G.","Oxonium diaquadisulphatoindium(III) dihydrate (H3 O)+ (In(H2 O)2 (S O4)2)- * 2 H2 O","Crystal Structure Communications","1982","11","","955","958","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541684","9.127","","11.672","","17.492","","90","","90.64","","90","","1863.31","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Rh4 (C O)12","","- C12 O12 Rh4 -","- C12 O12 Rh4 -","- C48 O48 Rh16 -","4","1","","Farrugia, L.J.","Structural redetermination of Rh4 (C O)12 at 293 and 173K and analysis of the thermal motion in relation to the dynamical behaviour","Journal of Cluster Science","2000","11","","39","53","","","","","","","","","","","","","","","","","","","","","","has coordinates","173100","2020-10-21","18:00:00",""
"1541700","4.21","","4.21","","40.6","","90","","90","","120","","623.191","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","","","- Ge Sb2 Te4 -","- Ge Sb1.98 Te3.96 -","- Ge3 Sb5.94 Te11.88 -","3","0.0833333","","Agaev, K.A.; Talybov, A.G.","Electron-diffraction analysis of the structure of Ge Sb2 Te4","Kristallografiya","1966","11","","454","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541784","26.433","","7.139","","8.044","","90","","90","","90","","1517.94","","","","","","","","","","","","","5","P n 21 a","P -2ac -2n","33","","dicesium bismuth nitrate hydrate","","- Bi Cs2 H2 N5 O16 -","- Bi Cs2 H2 N5 O16 -","- Bi4 Cs8 H8 N20 O64 -","4","1","","Lazarini, F.; Leban, I.","Dicesium bismuth nitrate hydrate, Cs2 Bi (N O3)5 * H2 O","Crystal Structure Communications","1982","11","","653","657","","","","","","","","","","","","","","","","","","","","","","has coordinates","205227","2020-10-21","18:00:00",""
"1541791","11.756","","12.901","","13.522","","90","","90","","90","","2050.8","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ce (N O3)3 (H2 O)4","","- Ce H8 N3 O13 -","- Ce N3 O13 -","- Ce8 N24 O104 -","8","1","","Milinski, N.; Radivojevic, P.; Djuric, S.; Ribar, B.","Tetraaquatri(nitrato)cerium(III), Ce (H2 O)4 (N O3)3","Crystal Structure Communications","1982","11","","1241","1244","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541837","12.822","","12.709","","12.358","","90","","91.25","","90","","2013.32","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Tm P5 O14","","- O14 P5 Tm -","- O14 P5 Tm -","- O112 P40 Tm8 -","8","1","","Zhou, K.-J.; Qian, Y.-T.; Hong, G.-Y.","Thulium ultraphosphate, Tm P5 O14","Crystal Structure Communications","1982","11","","1695","1699","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541846","7.074","","7.074","","6.656","","90","","90","","120","","288.452","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Sr Ni F6","","- F6 Ni Sr -","- F6 Ni Sr -","- F18 Ni3 Sr3 -","3","0.0833333","","Hoppe, R.; Fleischer, T.","Neue hexafluoroniccolate (IV) : Sr Ni F6, Ba Ni F6, und Rb Ni F6","Journal of Fluorine Chemistry","1978","11","","251","264","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541876","17.062","","9.862","","14.051","","90","","90","","90","","2364.3","","","","","","","","","","","","","3","C m c e","-C 2ac 2","64","","Ba4 (Ti13 O30)","","- Ba4 O30 Ti13 -","- Ba4 O30 Ti13 -","- Ba16 O120 Ti52 -","4","0.25","","Tillmanns, E.","Tetrabarium tridecatitanate, Ba4 Ti13 O30","Crystal Structure Communications","1982","11","","2087","2092","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541944","14.4","","12.1","","5.64","","90","","90","","111.3","","915.586","","","","","","","","","","","","","4","B 1 1 2/m","-B 2","12","","Er (H2 P O2)3","","- Er H6 O6 P3 -","- Er O6 P3 -","- Er4 O24 P12 -","4","0.5","","Aslanov, L.A.; Ionov, V.M.; Porai-Koshits, M.A.; Gilyarov, O.N.; Lebedev, V.G.; Kulikovskii, B.N.; Novoderezhkina, T.L.","Crystal structure of erbium hypophosphite","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1975","11","","117","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541948","4.051","","4.051","","4.051","","90","","90","","90","","66.479","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Sr Ta.5 V.5 O3","","- O3 Sr Ta0.5 V0.5 -","- O3 Sr Ta0.5 V0.5 -","- O3 Sr Ta0.5 V0.5 -","1","0.0208333","","Bernier, J.C.; Chauvel, C.; Kahn, O.","Etude structurale et magnetique des oxydes Perovskites Ba2 Nb V O6 et Sr2 Ta V O6","Journal of Solid State Chemistry","1974","11","","265","271","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541986","11.755","","11.755","","6.712","","90","","90","","120","","803.208","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Tb (Br O3)3 (H2 O)9","","- Br3 H18 O18 Tb -","- Br3 H18 O18 Tb -","- Br6 H36 O36 Tb2 -","2","0.0833333","","Gallucci, J.C.; Gerkin, R.E.; Reppart, W.J.","The structure of terbium(III) bromate enneahydrate, Tb (H2 O)9 (Br O3)3","Crystal Structure Communications","1982","11","","1141","1145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541995","5.728","","5.728","","14.05","","90","","90","","120","","399.221","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba3 Co2 W O9","","- Ba3 Co2 O9 W -","- Ba3 Co2 O9 W -","- Ba6 Co4 O18 W2 -","2","0.0833333","","Harari, D.; Poix, P.; Bernier, J.C.","Etude structurale de quatre nouvelles Perovskites au cobalt","Journal of Solid State Chemistry","1974","11","","330","339","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542031","10.915","","11.18","","3.902","","90","","90","","108.73","","450.944","","","","","","","","","","","","","3","P 1 1 21/m","-P 2c","11","","","","- Gd Lu3 S6 -","- Gd Lu3 S6 -","- Gd2 Lu6 S12 -","2","0.5","","Rodier, N.; Firor, R.L.; Tien, V.; Guittard, M.","Sulfures mixtes du type Ce Yb3 S6 formes par deux elements III A (scandium, yttrium et lanthanides)","Materials Research Bulletin","1976","11","","1209","1218","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1542052","9.336","","12.185","","13.956","","90","","122.9","","90","","1333","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Mo3 (S2)3 S Cl4","","- Cl4 Mo3 S7 -","- Cl4 Mo3 S7 -","- Cl16 Mo12 S28 -","4","1","","Marcoll, J.; Mootz, D.; Rabenau, A.; Wunderlich, H.","The Crystal Structures of Mo S2 Cl3 and Mo3 S7 Cl4","Revue de Chimie Minerale","1974","11","","607","615","","","","","","","","","","","","","","","","","","","","","","has coordinates","173980","2020-10-21","18:00:00",""
"1542132","6.535","","6.535","","6.535","","90","","90","","90","","279.085","","","","","","","","","","","","","2","P 41 3 2","P 4bd 2ab 3","213","","Sr Si2","","- Si2 Sr -","- Si2 Sr -","- Si8 Sr4 -","4","0.166667","","Kripyakevich, P.I.; Gladyshevskii, E.I.","The crystal structure of strontium disilicide","Kristallografiya","1966","11","","818","821","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542153","11.809","","8.297","","9.923","","90","","118.72","","90","","852.641","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Co2 (P4 O12)","","- Co2 O12 P4 -","- Co2 O12 P4 -","- Co8 O48 P16 -","4","0.5","","Nord, A.G.","The structure of cobalt(II) tetrametaphosphate, Co2 P4 O12","Crystal Structure Communications","1982","11","","1467","1474","","","","","","","","","","","","","","","","","","","","","","has coordinates","174175","2020-10-21","18:00:00",""
"1542180","5.17","","5.17","","11.19","","90","","90","","90","","299.096","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Cd (Mo O4)","","- Cd Mo O4 -","- Cd Mo O4 -","- Cd4 Mo4 O16 -","4","0.25","","Chichagov, A.V.; Dem'yanets, L.N.; Ilyukhin, V.V.; Belov, N.V.","Synthesis and crystal structure of cadmium molybdate (Cd Mo O4)","Kristallografiya","1966","11","","686","689","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542185","5.278","","17.346","","5.116","","90","","90","","90","","468.381","","","","","","","","","","","","","5","P b n 21","P 2c -2ab","33","","(N H4) Li (Se O4)","","- H4 Li N O4 Se -","- H4 Li N O4 Se -","- H16 Li4 N4 O16 Se4 -","4","1","","Waskowska, A.; Allmann, R.","Ammonium lithium selenate, N H4 Li Se O4","Crystal Structure Communications","1982","11","","2029","2034","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542200","4.122","","4.122","","4.122","","90","","90","","90","","70.036","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","W3 N4","","- N4 W3 -","- N4 W3 -","- N4 W3 -","1","0.0208333","","Guenther, F.; Schneider, H.G.","Structure of cubic tungsten nitride","Kristallografiya","1966","11","","683","686","","","","","","","","","","","","","","","","","","","","","","has coordinates","174256","2020-10-21","18:00:00",""
"1544729","8.77","0.001","8.77","0.001","5.433","0.001","90","","90","","90","","417.87","0.1","","","","","","","","","","","","5","P 4 b m","P 4 -2ab","100","Ba2Ti(Ge0.25Si0.75)2O8","","Ba2Ti(Ge0.25Si0.75)2O8 at 890 C","- Ba2 Ge0.5 O8 Si1.5 Ti -","- Ba2 Ge2 O8 Ti -","- Ba4 Ge4 O16 Ti2 -","2","0.25","","Iijima, K.; Marumo, F.; Kimura, M.; Kawamura, T.","Synthesis and crystal structdures of compounds in the system Ba2TiGe2O8-Ba2TiSi2O8 :Sample at 890 C","Mineralogical Journal","1982","11","","107","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","188890","2020-10-21","18:00:00",""
"1544730","8.583","0.001","8.583","0.001","5.268","0.001","90","","90","","90","","388.08","0.1","","","","","","","","","","","","5","P 4 b m","P 4 -2ab","100","Ba2Ti(Ge0.25Si0.75)2O8","","Ba2Ti(Ge0.25Si0.75)2O8","- Ba2 Ge0.5 O8 Si1.5 Ti -","- Ba2 Ge0.5 O8 Si1.5 Ti -","- Ba4 Ge O16 Si3 Ti2 -","2","0.25","","Iijima, K.; Marumo, F.; Kimura, M.; Kawamura, T.","Synthesis and crystal structdures of compounds in the system Ba2TiGe2O8-Ba2TiSi2O8","Mineralogical Journal","1982","11","","107","118","","","","","","","","","","","","","","","","","","","","","","has coordinates","188891","2020-10-21","18:00:00",""
"1544871","5.2972","0.0005","5.2972","0.0005","5.2972","0.0005","90","","90","","90","","148.64","0.02","","","","","","","","","","","","3","P -4 3 m","P -4 2 3","215","CuFe2S3","","cubic cubanite","- Cu Fe2 S3 -","- Cu1.332 Fe2.668 S -","- Cu1.332 Fe2.668 S -","","","","Mizota, T.; Koto, K.","Disorder of metal atoms in the structure of quenched high-temperature cubanite, CuFe2S3, Z=4/3","Mineralogical Journal","1983","11","","213","221","","","","","","","","","","","","","","","","","","","","","","has coordinates","189389","2020-10-21","18:00:00",""
"1544902","17.698","0.015","17.511","0.008","7.392","0.005","90.21","0.05","116.76","0.05","90.19","0.05","2045","3","","","","","","","","","","","","8","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","Ca1.16Na1.8K1.68Mg0.25Al6.33Si29.81O72*20.1H2O","","clinoptilolite at 350 C","- Al6.33 Ca1.16 H20.1 K1.68 Mg0.25 Na1.8 O92.1 Si29.81 -","- Al6.48 K1.532 Na1.488 O73.34 Si29.52 -","- Al6.48 K1.532 Na1.488 O73.34 Si29.52 -","1","","","Kudoh, Y.; Takeuchi, Y.","Thermal stability of clinoptilolite: the crystal structure at 350C","Mineralogical Journal","1983","11","","392","406","","","","","","","","","","","","","","","","","","","","","","has coordinates","189433","2020-10-21","18:00:00",""
"1546283","13.621","0.003","13.621","0.003","10.254","0.001","90","","90","","120","","1647.6","0.5","","","293","","","","","","","","","9","P 63/m m c","-P 6c 2c","194","","","","- Al7.79 Ca1.67 H47 K2.72 Mg0.13 Na0.22 O71.5 Si16.32 Sr0.39 -","- Al7.68 Ca0.36 K4 O66.94 Si16.32 -","- Al7.68 Ca0.36 K4 O66.94 Si16.32 -","1","0.0416667","","Vezzalini, Giovanna; Quartieri, Simona; Passaglia, Elio","Crystal structure of a K-rich natural gmelinite and comparison with the other refined gmelinite samples","Neues Jahrbuch fur Mineralogie-Monatshefte","1990","11","","504","516","","","x-ray","0.71069","MoKα","","","0.0677","","","0.0592","","","","","","","","","","","has coordinates","197685","2020-10-21","18:00:00",""
"1546344","13.3832","0.0006","13.3832","0.0006","13.3832","0.0006","90","","90","","90","","2397.07","0.19","","","293","","","","","","","","","6","F 2 3","F 2 2 3","196","","","","- C28 H45 Al20 N O96 P20 -","- C27.888 H51.792 Al20 N3.984 O80 P20 -","- C27.888 H51.792 Al20 N3.984 O80 P20 -","1","0.0208333","","Bennett, J. Michael; Kirchner, Richard M.","The structure of as-synthesized AlPO4-16 determined by a new framework modeling method and Rietveld refonement of synchrotron powder diffraction data","Zeolites","1991","11","","502","506","10.1016/S0144-2449(05)80125-3","powder diffraction","x-ray","1.32365","","","","","","","","","0.106","","","","","","","","","has coordinates","197919","2020-10-21","18:00:00",""
"1546345","13.671","","13.671","","8.328","","90","","90","","120","","1347.94","","","","293","","","","","","","","","2","P 6/m c c","-P 6 2c","192","","","","- O2 Si -","- O4.53333 Si2 -","- O54.4 Si24 -","12","0.5","","Bialek, R.; Meier, W. M.; Davis, M.; Annen, M. J.","The synthesis and structure of SSZ-24, the silica analog of AlPO4-5","Zeolites","1991","11","","438","442","10.1016/S0144-2449(05)80114-9","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","0.093","","","","","","","","","has coordinates","197920","2020-10-21","18:00:00",""
"1546352","13.1","0.003","13.1","0.003","13.1","0.003","90","","90","","90","","2248.1","0.9","","","296","","","","","","","","","5","I 2 3","I 2 2 3","197","","","","- Be24 Ca5.5 Li8 O96 P24 -","- Be24 Ca5.184 Li18.48 O96 P24 -","- Be24 Ca5.184 Li18.48 O96 P24 -","1","0.0416667","","Corbin, David R.; Abrams, Lloyd; Jones, Glover A.; Harlow, Richard L.; Dunn, Pete J.","Flexibility of the zeolite RHO framework : effect of dehydration on the crystal structure of the beryllophosphate mineral, pahasapaite","Zeolites","1991","11","","364","367","10.1016/0144-2449(91)80302-G","","x-ray","0.71069","MoKα","","","0.042","","","0.037","","","","","","","","","","","has coordinates","197967","2020-10-21","18:00:00",""
"1546523","8.93","0.001","8.93","0.001","8.93","0.001","90","","90","","90","","712.12","0.14","","","295","","","","","","","","","5","P -4 3 n","P -4n 2 3","218","","","","- Al6 N2 Na8 O28 Si6 -","- Al6 N3.992 Na8 O28.008 Si6 -","- Al6 N3.992 Na8 O28.008 Si6 -","1","0.0416667","","Kempa, P. B.; Engelhardt, G.; Buhl, J. Ch.; Felsche, J.; Harvey, G.; Baerlocher, Ch.","X-ray powder diffraction crystal structure analysis and 29Si, 23Na MAS N.M.R. studies of nitrite sodalite, Na8[AlSiO4]6(NO2)2, at 295K","Zeolites","1991","11","","558","562","","powder diffraction","x-ray","1.54184","CuKα","","","","","","","","0.033","","","","","","","","","has coordinates,has disorder","198670","2020-10-21","18:00:00",""
"1546526","24.6052","0.0009","24.6052","0.0009","24.6052","0.0009","90","","90","","90","","14896.4","0.9","","","5","","","","","","","","","8","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C72 Al55 D84 N12 Na13 O384 Si137 Yb14 -","- C53.568 Al55.104 D65.472 N11.904 Na15.936 O404.8 Si137.088 Yb12.864 -","- C53.568 Al55.104 D65.472 N11.904 Na15.936 O404.8 Si137.088 Yb12.864 -","1","0.00520833","","Czjzek, Mirjam; Vogt, Thomas; Fuess, Harmut","Aniline in Yb,Na-Y: a neutron powder diffraction study","Zeolites","1991","11","","832","836","","powder diffraction","neutron","1.594","","","","","","","","","","0.102","","","","","","","","has coordinates","198691","2020-10-21","18:00:00",""
"1548616","15.7074","0.0008","32.8408","0.0016","13.412","0.0009","90","","90","","90","","6918.5","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H21 Ga O6 -","- C15 H21 Ga O6 -","- C240 H336 Ga16 O96 -","16","4","","Li, Wenzhe; Zhang, Cuiling; Ma, Yunping; Liu, Chong; Fan, Jiandong; Mai, Yaohua; Schropp, Ruud E. I.","In situ induced core/shell stabilized hybrid perovskites via gallium(iii) acetylacetonate intermediate towards highly efficient and stable solar cells","Energy & Environmental Science","2018","11","2","286","","10.1039/C7EE03113K","","x-ray","0.71073","MoKα","","0.0799","0.0546","","","0.1302","0.1453","","","","","","1.072","","","","has coordinates","230081","2020-10-21","18:00:00",""
"1548617","12.3537","0.0006","12.2717","0.0005","15.5166","0.0007","90","","112.273","0.006","90","","2176.82","0.19","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H28 Ga I N O6 -","- C16 H28 Ga I N O6 -","- C64 H112 Ga4 I4 N4 O24 -","4","1","","Li, Wenzhe; Zhang, Cuiling; Ma, Yunping; Liu, Chong; Fan, Jiandong; Mai, Yaohua; Schropp, Ruud E. I.","In situ induced core/shell stabilized hybrid perovskites via gallium(iii) acetylacetonate intermediate towards highly efficient and stable solar cells","Energy & Environmental Science","2018","11","2","286","","10.1039/C7EE03113K","","x-ray","0.71073","MoKα","","0.07","0.0522","","","0.1266","0.1424","","","","","","1.131","","","","has coordinates","230081","2020-10-21","18:00:00",""
"1550243","38.111","0.003","7.4534","0.0005","16.3979","0.0013","90","","113.273","0.002","90","","4278.9","0.6","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C9 H12 Hg2 I4 N4 S2 -","- C9 H12 Hg2 I4 N4 S2 -","- C72 H96 Hg16 I32 N32 S16 -","8","1","","Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna","Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach.","Metallomics : integrated biometal science","2019","11","1","213","225","10.1039/c8mt00237a","","","0.71073","MoKα","","0.0576","0.0383","","","0.0738","0.0798","","","","","","1.028","","","","has coordinates,has disorder","224651","2020-10-21","18:00:00",""
"1550244","17.9245","0.0016","12.3888","0.0016","10.6773","0.001","90","","126.485","0.005","90","","1906.3","0.4","298","2","298","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C22 H36 Cl4 Hg2 N8 O2 S6 -","- C22 H36 Cl4 Hg2 N8 O2 S6 -","- C44 H72 Cl8 Hg4 N16 O4 S12 -","2","0.25","","Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna","Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach.","Metallomics : integrated biometal science","2019","11","1","213","225","10.1039/c8mt00237a","","","0.71073","MoKα","","0.029","0.0275","","","0.0722","0.0729","","","","","","1.336","","","","has coordinates,has disorder","224651","2020-10-21","18:00:00",""
"1550245","7.2921","0.0006","7.8235","0.0006","30.636","0.002","90","","93.61","0.003","90","","1744.3","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H20 N4 O4 S2 -","- C15 H20 N4 O4 S2 -","- C60 H80 N16 O16 S8 -","4","0.5","","Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna","Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach.","Metallomics : integrated biometal science","2019","11","1","213","225","10.1039/c8mt00237a","","","0.71073","MoKα","","0.0563","0.0419","","","0.0878","0.0957","","","","","","1.093","","","","has coordinates","224651","2020-10-21","18:00:00",""
"1550246","17.7977","0.0016","12.295","0.0011","10.8212","0.001","90","","125.868","0.002","90","","1918.9","0.3","298","2","298","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C18 H24 Br4 Hg2 N8 S4 -","- C18 H24 Br4 Hg2 N8 S4 -","- C36 H48 Br8 Hg4 N16 S8 -","2","0.25","","Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna","Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach.","Metallomics : integrated biometal science","2019","11","1","213","225","10.1039/c8mt00237a","","","0.71073","MoKα","","0.0573","0.0354","","","0.0938","0.1099","","","","","","0.757","","","","has coordinates","224651","2020-10-21","18:00:00",""
"1550247","10.1454","0.0003","15.0815","0.0003","15.2995","0.0003","90","","90","","90","","2340.94","0.1","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H16 Hg2 I4 N4 S2 -","- C10 H16 Hg2 I4 N4 S2 -","- C40 H64 Hg8 I16 N16 S8 -","4","0.5","","Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna","Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach.","Metallomics : integrated biometal science","2019","11","1","213","225","10.1039/c8mt00237a","","","0.71073","MoKα","","0.0262","0.0212","","","0.0445","0.0467","","","","","","1.061","","","","has coordinates","224651","2020-10-21","18:00:00",""
"1550248","9.6186","0.0007","14.2021","0.0011","13.5419","0.0011","90","","108.982","0.003","90","","1749.3","0.2","252","2","252","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Br2 Hg N4 S2 -","- C10 H16 Br2 Hg N4 S2 -","- C40 H64 Br8 Hg4 N16 S8 -","4","1","","Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna","Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach.","Metallomics : integrated biometal science","2019","11","1","213","225","10.1039/c8mt00237a","","","0.71073","MoKα","","0.0348","0.0262","","","0.059","0.0622","","","","","","1.03","","","","has coordinates","224651","2020-10-21","18:00:00",""
"1550249","18.3607","0.0007","14.7466","0.0006","11.7959","0.0004","90","","107.761","0.001","90","","3041.6","0.2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Hg2 I4 N6 S3 -","- C15 H24 Hg2 I4 N6 S3 -","- C60 H96 Hg8 I16 N24 S12 -","4","1","","Karri, Ramesh; Chalana, Ashish; Das, Ranajit; Rai, Rakesh Kumar; Roy, Gouriprasanna","Cytoprotective effects of imidazole-based [S<sub>1</sub>] and [S<sub>2</sub>]-donor ligands against mercury toxicity: a bioinorganic approach.","Metallomics : integrated biometal science","2019","11","1","213","225","10.1039/c8mt00237a","","","0.71073","MoKα","","0.0567","0.0322","","","0.0544","0.0657","","","","","","1.063","","","","has coordinates","224651","2020-10-21","18:00:00",""
"1550539","9.8783","0.0011","9.9409","0.0011","12.3344","0.0014","70.99","0.02","75.17","0.02","63.05","0.02","1012.3","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C72 H6 Cl6 -","- C72 H6 Cl6 -","- C72 H6 Cl6 -","1","0.5","","Lei, Yilong; Wang, Shaoyan; Lai, Zhuangchai; Yao, Xin; Zhao, Yanli; Zhang, Hua; Chen, Hongyu","Two-dimensional C<sub>60</sub> nano-meshes via crystal transformation.","Nanoscale","2019","11","18","8692","8698","10.1039/c8nr09329f","","","0.71073","MoKα","","0.0695","0.0444","","","0.0949","0.1068","","","","","","1.01","","","","has coordinates","224666","2020-10-21","18:00:00",""
"1550597","7.0684","0.0002","10.5124","0.0004","16.554","0.0005","90","","90","","90","","1230.06","0.07","143","0.1","143","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H20 Cl2 Cu N4 O -","- C6 H20 Cl2 Cu N4 O -","- C24 H80 Cl8 Cu4 N16 O4 -","4","1","","Fu, Chunyan; Lizhao, Junhong; Luo, Zhenghui; Wang, Tao; Grapperhaus, Craig A.; Ding, Xueqin; Kang, Y. James","Active uptake of hydrophilic copper complex Cu(ii)-TETA in primary cultures of neonatal rat cardiomyocytes.","Metallomics : integrated biometal science","2019","11","3","565","575","10.1039/c8mt00277k","","x-ray","0.71073","MoKα","","0.0364","0.0314","","","0.0651","0.0679","","","","","","1.039","","","","has coordinates","224654","2020-10-21","18:00:00",""
"1550737","7.5561","0.0003","7.5561","0.0003","34.3002","0.0016","90","","90","","120","","1695.99","0.12","273","2","273","2","","","","","","","","3","P -3 1 c","-P 3 2c","163","","","","- Bi3 Cl16 Rb7 -","- Bi3 Cl15.999 Rb6.9998 -","- Bi6 Cl31.998 Rb13.9996 -","2","0.166667","","Xie, Jie-Ling; Huang, Zhao-Qian; Wang, Bin; Chen, Wei-Jun; Lu, Wen-Xiu; Liu, Xin; Song, Jun-Ling","New lead-free perovskite Rb<sub>7</sub>Bi<sub>3</sub>Cl<sub>16</sub> nanocrystals with blue luminescence and excellent moisture-stability.","Nanoscale","2019","11","14","6719","6726","10.1039/c9nr00600a","","","0.71073","MoKα","","0.0469","0.0432","","","0.1053","0.1081","","","","","","1.065","","","","has coordinates,has disorder","224664","2020-10-21","18:00:00",""
"1550847","10.8798","0.0004","11.8215","0.0004","35.5224","0.0013","90","","90.737","0.004","90","","4568.4","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N2 O2 -","- C29 H24 N2 O2 -","- C232 H192 N16 O16 -","8","2","","Chen, Sin-Yu; Chiu, Ya-Wen; Liou, Guey-Sheng","Substituent effects of AIE-active α-cyanostilbene-containing triphenylamine derivatives on electrofluorochromic behavior.","Nanoscale","2019","11","17","8597","8603","10.1039/c9nr02692d","","","1.54178","CuKα","","0.0842","0.0506","","","0.1293","0.1542","","","","","","1.015","","","","has coordinates","224662","2020-10-21","18:00:00",""
"1550848","16.9323","0.0005","6.6891","0.0001","19.8297","0.0006","90","","111.138","0.004","90","","2094.83","0.11","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 N2 -","- C27 H20 N2 -","- C108 H80 N8 -","4","1","","Chen, Sin-Yu; Chiu, Ya-Wen; Liou, Guey-Sheng","Substituent effects of AIE-active α-cyanostilbene-containing triphenylamine derivatives on electrofluorochromic behavior.","Nanoscale","2019","11","17","8597","8603","10.1039/c9nr02692d","","","1.54178","CuKα","","0.0524","0.0445","","","0.12","0.1281","","","","","","1.018","","","","has coordinates","224662","2020-10-21","18:00:00",""
"1550849","11.2848","0.0005","12.4618","0.0005","17.9846","0.0008","76.742","0.004","78.065","0.004","83.32","0.004","2402.22","0.19","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H23 Br N2 O2 -","- C29 H23 Br N2 O2 -","- C116 H92 Br4 N8 O8 -","4","2","","Chen, Sin-Yu; Chiu, Ya-Wen; Liou, Guey-Sheng","Substituent effects of AIE-active α-cyanostilbene-containing triphenylamine derivatives on electrofluorochromic behavior.","Nanoscale","2019","11","17","8597","8603","10.1039/c9nr02692d","","","1.54178","CuKα","","0.0707","0.0462","","","0.115","0.1322","","","","","","1.014","","","","has coordinates","224662","2020-10-21","18:00:00",""
"1550890","9.2542","0.0004","10.276","0.0005","12.6302","0.0005","66.49","0.004","85.829","0.004","85.602","0.004","1096.97","0.09","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H25 Cu N5 O8 -","- C18 H25 Cu N5 O8 -","- C36 H50 Cu2 N10 O16 -","2","1","","Mingabudinova, Leila R.; Zalogina, Anastasiia S.; Krasilin, Andrei A.; Petrova, Margarita I.; Trofimov, Pavel; Mezenov, Yuri A.; Ubyivovk, Evgeniy V.; Lönnecke, Peter; Nominé, Alexandre; Ghanbaja, Jaafar; Belmonte, Thierry; Milichko, Valentin A.","Laser printing of optically resonant hollow crystalline carbon nanostructures from 1D and 2D metal-organic frameworks.","Nanoscale","2019","11","21","10155","10159","10.1039/c9nr02167a","","","0.71073","MoKα","","0.1","0.0629","","","0.1534","0.1757","","","","","","1.033","","","","has coordinates,has disorder","224667","2020-10-21","18:00:00",""
"1550891","15.5944","0.0003","15.2643","0.0003","15.7761","0.0004","90","","90.224","0.002","90","","3755.28","0.14","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 Cu N10 O10 -","- C32 H44 Cu N10 O10 -","- C128 H176 Cu4 N40 O40 -","4","1","","Mingabudinova, Leila R.; Zalogina, Anastasiia S.; Krasilin, Andrei A.; Petrova, Margarita I.; Trofimov, Pavel; Mezenov, Yuri A.; Ubyivovk, Evgeniy V.; Lönnecke, Peter; Nominé, Alexandre; Ghanbaja, Jaafar; Belmonte, Thierry; Milichko, Valentin A.","Laser printing of optically resonant hollow crystalline carbon nanostructures from 1D and 2D metal-organic frameworks.","Nanoscale","2019","11","21","10155","10159","10.1039/c9nr02167a","","x-ray","0.71073","MoKα","","0.1042","0.0632","","","0.1511","0.1655","","","","","","1.155","","","","has coordinates","224667","2020-10-21","18:00:00",""
"1550936","26.0817","0.0016","20.662","0.0012","19.7728","0.0011","90","","125.502","0.002","90","","8674.6","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H32 Br4 La N7 O5 -","- C42 H32 Br4 La N7 O5 -","- C336 H256 Br32 La8 N56 O40 -","8","1","","Qin, Qi-Pin; Wang, Zhen-Feng; Tan, Ming-Xiong; Huang, Xiao-Ling; Zou, Hua-Hong; Zou, Bi-Qun; Shi, Bei-Bei; Zhang, Shu-Hua","Complexes of lanthanides(iii) with mixed 2,2'-bipyridyl and 5,7-dibromo-8-quinolinoline chelating ligands as a new class of promising anti-cancer agents.","Metallomics : integrated biometal science","2019","11","5","1005","1015","10.1039/c9mt00037b","","","0.71076","MoKα","","0.0703","0.0405","","","0.0784","0.0889","","","","","","1.023","","","","has coordinates","224653","2020-10-21","18:00:00",""
"1550937","29.5503","0.0011","29.9584","0.0012","16.0497","0.0006","90","","90","","90","","14208.5","0.9","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C32 H24 Br4 Ho N5 O5 -","- C32 H24 Br4 Ho N5 O5 -","- C512 H384 Br64 Ho16 N80 O80 -","16","2","","Qin, Qi-Pin; Wang, Zhen-Feng; Tan, Ming-Xiong; Huang, Xiao-Ling; Zou, Hua-Hong; Zou, Bi-Qun; Shi, Bei-Bei; Zhang, Shu-Hua","Complexes of lanthanides(iii) with mixed 2,2'-bipyridyl and 5,7-dibromo-8-quinolinoline chelating ligands as a new class of promising anti-cancer agents.","Metallomics : integrated biometal science","2019","11","5","1005","1015","10.1039/c9mt00037b","","","0.71073","MoKα","","0.1372","0.0546","","","0.0767","0.0951","","","","","","1.037","","","","has coordinates","224653","2020-10-21","18:00:00",""
"1550938","29.587","0.003","29.91","0.003","15.986","0.0018","90","","90","","90","","14147","3","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C32 H24 Br4 Lu N5 O5 -","- C32 H24 Br4 Lu N5 O5 -","- C512 H384 Br64 Lu16 N80 O80 -","16","2","","Qin, Qi-Pin; Wang, Zhen-Feng; Tan, Ming-Xiong; Huang, Xiao-Ling; Zou, Hua-Hong; Zou, Bi-Qun; Shi, Bei-Bei; Zhang, Shu-Hua","Complexes of lanthanides(iii) with mixed 2,2'-bipyridyl and 5,7-dibromo-8-quinolinoline chelating ligands as a new class of promising anti-cancer agents.","Metallomics : integrated biometal science","2019","11","5","1005","1015","10.1039/c9mt00037b","","","0.71073","MoKα","","0.1374","0.0731","","","0.1615","0.1922","","","","","","1.082","","","","has coordinates","224653","2020-10-21","18:00:00",""
"1550939","13.5152","0.0007","17.1668","0.0008","16.0298","0.0008","90","","105.757","0.002","90","","3579.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 Br4 Ho N5 O7 -","- C32 H24 Br4 Ho N5 O7 -","- C128 H96 Br16 Ho4 N20 O28 -","4","1","","Qin, Qi-Pin; Wang, Zhen-Feng; Tan, Ming-Xiong; Huang, Xiao-Ling; Zou, Hua-Hong; Zou, Bi-Qun; Shi, Bei-Bei; Zhang, Shu-Hua","Complexes of lanthanides(iii) with mixed 2,2'-bipyridyl and 5,7-dibromo-8-quinolinoline chelating ligands as a new class of promising anti-cancer agents.","Metallomics : integrated biometal science","2019","11","5","1005","1015","10.1039/c9mt00037b","","","0.71076","MoKα","","0.1234","0.0809","","","0.2148","0.2324","","","","","","1.15","","","","has coordinates","224653","2020-10-21","18:00:00",""
"1550940","9.7421","0.0004","16.9016","0.0006","25.0742","0.0009","72.958","0.001","85.719","0.001","74.795","0.001","3809.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H24 Br4 N5 O6 Sm -","- C31 H24 Br4 N5 O6 Sm -","- C124 H96 Br16 N20 O24 Sm4 -","4","2","","Qin, Qi-Pin; Wang, Zhen-Feng; Tan, Ming-Xiong; Huang, Xiao-Ling; Zou, Hua-Hong; Zou, Bi-Qun; Shi, Bei-Bei; Zhang, Shu-Hua","Complexes of lanthanides(iii) with mixed 2,2'-bipyridyl and 5,7-dibromo-8-quinolinoline chelating ligands as a new class of promising anti-cancer agents.","Metallomics : integrated biometal science","2019","11","5","1005","1015","10.1039/c9mt00037b","","","0.71073","MoKα","","0.1039","0.0479","","","0.0897","0.1048","","","","","","1.022","","","","has coordinates","224653","2020-10-21","18:00:00",""
"1551160","16.321","0.003","16.896","0.003","27.357","0.003","107.097","0.008","95.666","0.008","92.215","0.007","7157","2","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C142 H129 Au11 Cl9 N2 P7 -","- C142 H129 Au10.988 Cl9 N2 P7 -","- C284 H258 Au21.976 Cl18 N4 P14 -","2","1","","Mina R. Narouz; Kimberly M. Osten; Phillip J. Unsworth; Renee W. Y. Man; Kirsi Salorinne; Shinjiro Takano; Ryohei Tomihara; Sami Kaappa; Sami Malola; Cao-Thang Dinh; J. Daniel Padmos; Kennedy Ayoo; Patrick J. Garrett; Masakazu Nambo; J. Hugh Horton; Edward H. Sargent; Hannu Hakkinen; Tatsuya Tsukuda; Cathleen M. Crudden","N-heterocyclic carbene-functionalized magic-number gold nanoclusters","Nature Chemistry","2019","11","","419","425","10.1038/s41557-019-0246-5","","","0.71075","MoKα","","0.0749","0.0679","","","0.1727","0.1785","","","","","","1.102","","","","has coordinates,has disorder","215549","2020-10-21","18:00:00",""
"1551277","13.1784","0.0016","13.1784","0.0016","9.8668","0.0012","90","","90","","120","","1484","0.3","183","2","183","2","","","","","","","","4","P 32","P 32","145","","","","- C22 H31 Cl O3 -","- C22 H31 Cl O3 -","- C66 H93 Cl3 O9 -","3","1","","Evijola Llabani; Robert W. Hicklin; Hyang Yeon Lee; Stephen E. Motika; Lisa A. Crawford; Eranthie Weerapana; Paul J. Hergenrother","Diverse compounds from pleuromutilin lead to a thioredoxin inhibitor and inducer of ferroptosis","Nature Chemistry","2019","11","","521","532","10.1038/s41557-019-0261-6","","","0.71073","MoKα","","0.0292","0.0273","","","0.0675","0.0689","","","","","","1.031","","","","has coordinates,has Fobs","215756","2020-10-21","18:00:00",""
"1551278","8.5146","0.0003","14.5929","0.0005","24.9839","0.0009","90","","90","","90","","3104.32","0.19","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H39.9 Cl N4 O7.45 -","- C32 H39.896 Cl N4 O7.448 -","- C128 H159.584 Cl4 N16 O29.792 -","4","1","","Evijola Llabani; Robert W. Hicklin; Hyang Yeon Lee; Stephen E. Motika; Lisa A. Crawford; Eranthie Weerapana; Paul J. Hergenrother","Diverse compounds from pleuromutilin lead to a thioredoxin inhibitor and inducer of ferroptosis","Nature Chemistry","2019","11","","521","532","10.1038/s41557-019-0261-6","","","0.71073","MoKα","","0.0486","0.0434","","","0.1145","0.1176","","","","","","1.07","","","","has coordinates,has disorder,has Fobs","215757","2020-10-21","18:00:00",""
"1551313","4.957","0.003","5.007","0.004","30.6","0.02","90","","92.98","0.008","90","","758.5","0.9","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H27 N O6 -","- C13 H27 N O6 -","- C26 H54 N2 O12 -","2","1","","Chalard, Anaïs; Joseph, Pierre; Souleille, Sandrine; Lonetti, Barbara; Saffon-Merceron, Nathalie; Loubinoux, Isabelle; Vaysse, Laurence; Malaquin, Laurent; Fitremann, Juliette","Wet spinning and radial self-assembly of a carbohydrate low molecular weight gelator into well organized hydrogel filaments.","Nanoscale","2019","11","32","15043","15056","10.1039/c9nr02727k","","","0.71073","MoKα","","0.1119","0.0784","","","0.1556","0.168","","","","","","1.101","","","","has coordinates","224661","2020-10-21","18:00:00",""
"1551355","7.4858","0.0004","21.374","0.0012","21.5083","0.0013","90","","91.545","0.002","90","","3440.1","0.3","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-3-((S)-5-cyano-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-1-yl)-2-fluoro- N,N-dimethylpropan-1-aminium (2R,3R)-2,3-bis(benzoyloxy)-3-carboxypropanoate","","- C38 H34 F2 N2 O9 -","- C38 H34 F2 N2 O9 -","- C152 H136 F8 N8 O36 -","4","2","","Pauline Adler; Christopher J. Teskey; Daniel Kaiser; Marion Holy; Harald H. Sitte; Nuno Maulide","Alpha-Fluorination of carbonyls with nucleophilic fluorine","Nature Chemistry","2019","11","","329","334","10.1038/s41557-019-0215-z","","x-ray","0.71073","MoKα","","0.1032","0.0809","","","0.1755","0.1895","","","","","","1.071","","","","has coordinates,has disorder","215873","2020-10-21","18:00:00",""
"1551356","9.2109","0.0004","9.2109","0.0004","76.327","0.003","90","","90","","120","","5608.1","0.4","100","2","100","2","","","","","","","","6","P 65","P 65","170","","","","- C36 H30 Cl2 F12 Mn N4 -","- C36 H30 Cl2 F12 Mn N4 -","- C216 H180 Cl12 F72 Mn6 N24 -","6","1","","Jinpeng Zhao; Takeshi Nanjo; Emilio C. de Lucca Jr; M. Christina White","Chemoselective methylene oxidation in aromatic molecules","Nature Chemistry","2019","11","","213","221","10.1038/s41557-018-0175-8","","","1.54178","CuKα","","0.0495","0.0493","","","0.1197","0.1199","","","","","","1.129","","","","has coordinates","215874","2020-10-21","18:00:00",""
"1551357","10.5506","0.0004","10.5506","0.0004","25.221","0.0012","90","","90","","120","","2431.35","0.17","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C24 H32 F12 Mn N6 Sb2 -","- C24 H32 F12 Mn N6 Sb2 -","- C72 H96 F36 Mn3 N18 Sb6 -","3","0.5","","Jinpeng Zhao; Takeshi Nanjo; Emilio C. de Lucca Jr; M. Christina White","Chemoselective methylene oxidation in aromatic molecules","Nature Chemistry","2019","11","","213","221","10.1038/s41557-018-0175-8","","","0.71073","MoKα","","0.0214","0.0204","","","0.042","0.0423","","","","","","1.13","","","","has coordinates","215875","2020-10-21","18:00:00",""
"1551358","10.7987","0.0004","9.1936","0.0003","27.3628","0.0011","90","","97.543","0.001","90","","2693.04","0.17","100","2","100","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C27 H32 O7 -","- C27 H32 O7 -","- C108 H128 O28 -","4","1","","Jinpeng Zhao; Takeshi Nanjo; Emilio C. de Lucca Jr; M. Christina White","Chemoselective methylene oxidation in aromatic molecules","Nature Chemistry","2019","11","","213","221","10.1038/s41557-018-0175-8","","","1.54178","CuKα","","0.042","0.0413","","","0.1168","0.1175","","","","","","1.074","","","","has coordinates,has disorder","215876","2020-10-21","18:00:00",""
"1551359","10.7688","0.0003","16.7429","0.0004","15.5965","0.0004","90","","101.666","0.0007","90","","2753.97","0.12","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H37 O8.5 -","- C29 H37 O8.5 -","- C116 H148 O34 -","4","2","","Jinpeng Zhao; Takeshi Nanjo; Emilio C. de Lucca Jr; M. Christina White","Chemoselective methylene oxidation in aromatic molecules","Nature Chemistry","2019","11","","213","221","10.1038/s41557-018-0175-8","","","1.54178","CuKα","","0.0467","0.0438","","","0.1094","0.1122","","","","","","1.096","","","","has coordinates,has disorder","279817","2022-12-09","07:50:21",""
"1551410","25.17","0.005","15.03","0.003","39.41","0.008","90","","95.16","0.03","90","","14849","5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15",";DyEr2N@Ih(7)-C80/NiOEP/2C6H6;","","","- C128 H56 Dy Er2 Ho0 N5 Ni -","- C128 H56 Dy Er2 N5 Ni -","- C1024 H448 Dy8 Er16 N40 Ni8 -","8","1","","Schlesier, C.; Liu, F.; Dubrovin, V.; Spree, L.; Büchner, B; Avdoshenko, S. M.; Popov, A. A.","Mixed dysprosium-lanthanide nitride clusterfullerenes DyM<sub>2</sub>N@C<sub>80</sub>-I<sub>h</sub> and Dy<sub>2</sub>MN@C<sub>80</sub>-I<sub>h</sub> (M = Gd, Er, Tm, and Lu): synthesis, molecular structure, and quantum motion of the endohedral nitrogen atom.","Nanoscale","2019","11","27","13139","13153","10.1039/c9nr03593a","","","0.89429","synchrotron","","0.144","0.1104","","","0.2608","0.2825","","","","","","1.037","","","","has coordinates,has disorder","224658","2020-10-21","18:00:00",""
"1551411","25.23","0.005","15.05","0.003","39.41","0.008","90","","95.27","0.03","90","","14901","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15",";DyGd2N@Ih(7)-C80/NiOEP/2C6H6;","","","- C128 H56 Dy Gd2 N5 Ni -","- C128 H56 Dy Gd2 N5 Ni -","- C1024 H448 Dy8 Gd16 N40 Ni8 -","8","1","","Schlesier, C.; Liu, F.; Dubrovin, V.; Spree, L.; Büchner, B; Avdoshenko, S. M.; Popov, A. A.","Mixed dysprosium-lanthanide nitride clusterfullerenes DyM<sub>2</sub>N@C<sub>80</sub>-I<sub>h</sub> and Dy<sub>2</sub>MN@C<sub>80</sub>-I<sub>h</sub> (M = Gd, Er, Tm, and Lu): synthesis, molecular structure, and quantum motion of the endohedral nitrogen atom.","Nanoscale","2019","11","27","13139","13153","10.1039/c9nr03593a","","","0.89429","synchrotron","","0.1198","0.0659","","","0.1725","0.2057","","","","","","1.055","","","","has coordinates,has disorder","224658","2020-10-21","18:00:00",""
"1551477","17.1059","0.0004","14.9921","0.0004","14.7772","0.0004","90","","95.317","0.002","90","","3773.36","0.17","296.96","0.1","296.96","0.1","","","","","","","","4","C 1 2 1","C 2y","5","","20180713-A2","","- C48 H32 F2 N4 -","- C48 H32 F2 N4 -","- C192 H128 F8 N16 -","4","1","","Man, Zhongwei; Lv, Zheng; Xu, Zhenzhen; Cui, Hongtu; Liao, Qing; Zheng, Lemin; Jin, Xue; He, Qihua; Fu, Hongbing","Organic nanoparticles with ultrahigh stimulated emission depletion efficiency for low-power STED nanoscopy.","Nanoscale","2019","11","27","12990","12996","10.1039/c9nr02781e","","x-ray","1.54184","CuKα","","0.0947","0.0863","","","0.2855","0.3057","","","","","","1.33","","","","has coordinates","224659","2020-10-21","18:00:00",""
"1551516","10.4181","0.0004","10.6411","0.0004","16.2688","0.0006","80.586","0.003","89.162","0.003","62.19","0.004","1569.83","0.12","296.2","","296.2","","","","","","","","","6","P -1","-P 1","2","","","","- C23 H29 N14 O S4 Zn2 -","- C23 H26 N14 O S4 Zn2 -","- C46 H52 N28 O2 S8 Zn4 -","2","1","","Yu, Ping; Deng, Jungang; Cai, Jinhua; Zhang, Zhenlei; Zhang, Juzheng; Hamid Khan, Muhammad; Liang, Hong; Yang, Feng","Anticancer and biological properties of a Zn-2,6-diacetylpyridine bis(thiosemicarbazone) complex.","Metallomics : integrated biometal science","2019","11","8","1372","1386","10.1039/c9mt00124g","","x-ray","0.71073","MoKα","","0.0457","0.036","","","0.0968","0.1022","","","","","","1.055","","","","has coordinates","224652","2020-10-21","18:00:00",""
"1551517","20.581","0.006","13.879","0.004","16.592","0.005","90","","90","","90","","4739","2","296.15","","296.15","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C38 H58 N14 S4 Zn2 -","- C38 H58 N14 S4 Zn2 -","- C152 H232 N56 S16 Zn8 -","4","0.5","","Yu, Ping; Deng, Jungang; Cai, Jinhua; Zhang, Zhenlei; Zhang, Juzheng; Hamid Khan, Muhammad; Liang, Hong; Yang, Feng","Anticancer and biological properties of a Zn-2,6-diacetylpyridine bis(thiosemicarbazone) complex.","Metallomics : integrated biometal science","2019","11","8","1372","1386","10.1039/c9mt00124g","","","0.71073","MoKα","","0.0572","0.0367","","","0.0961","0.1079","","","","","","1.032","","","","has coordinates","224652","2020-10-21","18:00:00",""
"1551518","15.137","0.003","16.265","0.003","28.91","0.005","90","","90","","90","","7118","2","296.15","","296.15","","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C52 H72 N28 S8 Zn4 -","- C52 H72 N28 S8 Zn4 -","- C208 H288 N112 S32 Zn16 -","4","0.5","","Yu, Ping; Deng, Jungang; Cai, Jinhua; Zhang, Zhenlei; Zhang, Juzheng; Hamid Khan, Muhammad; Liang, Hong; Yang, Feng","Anticancer and biological properties of a Zn-2,6-diacetylpyridine bis(thiosemicarbazone) complex.","Metallomics : integrated biometal science","2019","11","8","1372","1386","10.1039/c9mt00124g","","","0.71073","MoKα","","0.0976","0.0615","","","0.1733","0.1975","","","","","","1.052","","","","has coordinates","224652","2020-10-21","18:00:00",""
"1551519","13.4772","0.0005","28.625","0.0008","14.2565","0.0005","90","","106.245","0.004","90","","5280.4","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H58 N14 S4 Zn2 -","- C38 H58 N14 S4 Zn2 -","- C152 H232 N56 S16 Zn8 -","4","1","","Yu, Ping; Deng, Jungang; Cai, Jinhua; Zhang, Zhenlei; Zhang, Juzheng; Hamid Khan, Muhammad; Liang, Hong; Yang, Feng","Anticancer and biological properties of a Zn-2,6-diacetylpyridine bis(thiosemicarbazone) complex.","Metallomics : integrated biometal science","2019","11","8","1372","1386","10.1039/c9mt00124g","","","0.7103","","","0.0936","0.061","","","0.1606","0.1861","","","","","","1.065","","","","has coordinates","224652","2020-10-21","18:00:00",""
"1551520","20.55","0.03","7.366","0.012","17.52","0.03","90","","105.71","0.03","90","","2553","7","296.15","","296.15","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C23 H23 Cl2 N7 S2 Zn -","- C23 H21 Cl2 N7 S2 Zn -","- C92 H84 Cl8 N28 S8 Zn4 -","4","1","","Yu, Ping; Deng, Jungang; Cai, Jinhua; Zhang, Zhenlei; Zhang, Juzheng; Hamid Khan, Muhammad; Liang, Hong; Yang, Feng","Anticancer and biological properties of a Zn-2,6-diacetylpyridine bis(thiosemicarbazone) complex.","Metallomics : integrated biometal science","2019","11","8","1372","1386","10.1039/c9mt00124g","","","0.71073","MoKα","","0.0998","0.0517","","","0.1338","0.169","","","","","","0.973","","","","has coordinates","224652","2020-10-21","18:00:00",""
"1551521","8.2418","0.0014","16.336","0.003","11.361","0.0019","90","","103.266","0.003","90","","1488.8","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Meher, Niranjan; Iyer, Parameswar Krishnan","Functional group engineering in naphthalimides: a conceptual insight to fine-tune the supramolecular self-assembly and condensed state luminescence.","Nanoscale","2019","11","28","13233","13242","10.1039/c9nr04593g","","","0.71073","MoKα","","0.0689","0.0569","","","0.1592","0.1744","","","","","","1.036","","","","has coordinates","224656","2020-10-21","18:00:00",""
"1551522","14.4864","0.0012","7.2999","0.0005","19.0729","0.0015","90","","92.947","0.008","90","","2014.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 F2 N O2 -","- C24 H21 F2 N O2 -","- C96 H84 F8 N4 O8 -","4","1","","Meher, Niranjan; Iyer, Parameswar Krishnan","Functional group engineering in naphthalimides: a conceptual insight to fine-tune the supramolecular self-assembly and condensed state luminescence.","Nanoscale","2019","11","28","13233","13242","10.1039/c9nr04593g","","","0.71073","MoKα","","0.2098","0.0799","","","0.152","0.2074","","","","","","1.147","","","","has coordinates","224656","2020-10-21","18:00:00",""
"1551523","7.9798","0.0006","8.9908","0.0008","14.1265","0.0012","75.043","0.007","80.201","0.007","79.756","0.007","955.29","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 F N O2 -","- C24 H22 F N O2 -","- C48 H44 F2 N2 O4 -","2","1","","Meher, Niranjan; Iyer, Parameswar Krishnan","Functional group engineering in naphthalimides: a conceptual insight to fine-tune the supramolecular self-assembly and condensed state luminescence.","Nanoscale","2019","11","28","13233","13242","10.1039/c9nr04593g","","","0.71073","MoKα","","0.1494","0.0667","","","0.1396","0.1935","","","","","","1.079","","","","has coordinates","224656","2020-10-21","18:00:00",""
"1551524","30.15","0.003","9.1044","0.0005","14.8046","0.0014","90","","94.49","0.008","90","","4051.4","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C200 H200 N8 O24 -","8","1","","Meher, Niranjan; Iyer, Parameswar Krishnan","Functional group engineering in naphthalimides: a conceptual insight to fine-tune the supramolecular self-assembly and condensed state luminescence.","Nanoscale","2019","11","28","13233","13242","10.1039/c9nr04593g","","x-ray","0.71073","MoKα","","0.0786","0.0579","","","0.1521","0.174","","","","","","1.085","","","","has coordinates","224656","2020-10-21","18:00:00",""
"1551525","7.7872","0.0005","8.7869","0.0007","15.0163","0.0014","102.882","0.007","96.881","0.006","92.192","0.006","992.18","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H23 N O3 -","- C24 H23 N O3 -","- C48 H46 N2 O6 -","2","1","","Meher, Niranjan; Iyer, Parameswar Krishnan","Functional group engineering in naphthalimides: a conceptual insight to fine-tune the supramolecular self-assembly and condensed state luminescence.","Nanoscale","2019","11","28","13233","13242","10.1039/c9nr04593g","","x-ray","0.71073","MoKα","","0.1252","0.0776","","","0.2024","0.2433","","","","","","1.035","","","","has coordinates","224656","2020-10-21","18:00:00",""
"1551526","7.9984","0.0011","9.3801","0.0012","13.833","0.0018","76.64","0.004","80.682","0.004","79.49","0.004","985","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cl N O2 -","- C24 H22 Cl N O2 -","- C48 H44 Cl2 N2 O4 -","2","1","","Meher, Niranjan; Iyer, Parameswar Krishnan","Functional group engineering in naphthalimides: a conceptual insight to fine-tune the supramolecular self-assembly and condensed state luminescence.","Nanoscale","2019","11","28","13233","13242","10.1039/c9nr04593g","","","0.71073","MoKα","","0.1312","0.0509","","","0.095","0.1099","","","","","","0.889","","","","has coordinates","224656","2020-10-21","18:00:00",""
"1551818","25.302","0.003","15.15","0.002","19.79","0.003","90","","95.315","0.003","90","","7553.4","1.8","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Er3N@Ih-C80 Ni(OEP)","Er3N@Ih-C80 Ni(OEP)","","- C128 H56 Er3 N5 Ni S0 -","- C128 H56 Er3 N5 Ni -","- C512 H224 Er12 N20 Ni4 -","4","0.5","","Hu, Shuaifeng; Zhao, Pei; Shen, Wangqiang; Yu, Pengyuan; Huang, Wenhuan; Ehara, Masahiro; Xie, Yunpeng; Akasaka, Takeshi; Lu, Xing","Crystallographic characterization of Er<sub>3</sub>N@C<sub>2n</sub> (2n = 80, 82, 84, 88): the importance of a planar Er<sub>3</sub>N cluster.","Nanoscale","2019","11","28","13415","13422","10.1039/c9nr04330f","","","0.71073","MoKα","","0.0488","0.0385","","","0.0882","0.0971","","","","","","1.089","","","","has coordinates,has disorder","224655","2020-10-21","18:00:00",""
"1551819","25.548","0.005","15.259","0.005","19.989","0.005","90","0.005","95.273","0.005","90","0.005","7759","4","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Er3N@C2v-C82 Ni(OEP)","Er3N@C2v-C82 Ni(OEP)","","- C130 H56 Er3 N5 Ni S0 -","- C130 H56 Er3.0002 N5 Ni -","- C520 H224 Er12.0008 N20 Ni4 -","4","0.5","","Hu, Shuaifeng; Zhao, Pei; Shen, Wangqiang; Yu, Pengyuan; Huang, Wenhuan; Ehara, Masahiro; Xie, Yunpeng; Akasaka, Takeshi; Lu, Xing","Crystallographic characterization of Er<sub>3</sub>N@C<sub>2n</sub> (2n = 80, 82, 84, 88): the importance of a planar Er<sub>3</sub>N cluster.","Nanoscale","2019","11","28","13415","13422","10.1039/c9nr04330f","","","0.71069","MoKα","","0.1326","0.0917","","","0.2555","0.3079","","","","","","1.045","","","","has coordinates,has disorder","224655","2020-10-21","18:00:00",""
"1551820","25.309","0.005","15.149","0.005","19.789","0.005","90","0.005","95.267","0.005","90","0.005","7555","3","173","2","173","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Er3N@D5h-C80 Ni(OEP)","Er3N@D5h-C80 Ni(OEP)","","- C128 H56 Er3 N5 Ni S0 -","- C128 H56 Er3.0001 N5 Ni -","- C512 H224 Er12.0004 N20 Ni4 -","4","0.5","","Hu, Shuaifeng; Zhao, Pei; Shen, Wangqiang; Yu, Pengyuan; Huang, Wenhuan; Ehara, Masahiro; Xie, Yunpeng; Akasaka, Takeshi; Lu, Xing","Crystallographic characterization of Er<sub>3</sub>N@C<sub>2n</sub> (2n = 80, 82, 84, 88): the importance of a planar Er<sub>3</sub>N cluster.","Nanoscale","2019","11","28","13415","13422","10.1039/c9nr04330f","","","0.71069","MoKα","","0.0666","0.0608","","","0.171","0.1767","","","","","","1.071","","","","has coordinates,has disorder","224655","2020-10-21","18:00:00",""
"1551821","24.8075","0.0006","18.1337","0.0004","22.2769","0.0006","90","","100.419","0.001","90","","9856.1","0.4","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Er3N@D2-C88 Ni(OEP)","Er3N@D2-C88 Ni(OEP)","","- C284 H132 Er6 N14 Ni3 S0 -","- C284 H132 Er5.998 N14 Ni3 -","- C568 H264 Er11.996 N28 Ni6 -","2","0.25","","Hu, Shuaifeng; Zhao, Pei; Shen, Wangqiang; Yu, Pengyuan; Huang, Wenhuan; Ehara, Masahiro; Xie, Yunpeng; Akasaka, Takeshi; Lu, Xing","Crystallographic characterization of Er<sub>3</sub>N@C<sub>2n</sub> (2n = 80, 82, 84, 88): the importance of a planar Er<sub>3</sub>N cluster.","Nanoscale","2019","11","28","13415","13422","10.1039/c9nr04330f","","","0.82657","synchrotron","","0.1824","0.1567","","","0.3531","0.3711","","","","","","1.269","","","","has coordinates,has disorder","224655","2020-10-21","18:00:00",""
"1551822","14.5795","0.0002","14.9763","0.0002","19.7722","0.0003","84.96","0.001","89.147","0.001","62.37","","3808.45","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Er3N@Cs-C84 Ni(OEP)","Er3N@Cs-C84 Ni(OEP)","","- C131.05 H54.85 Er3 N5 Ni S0.38 -","- C131.05 H54.86 Er3.0001 N5 Ni1.08 S0.38 -","- C262.1 H109.72 Er6.0002 N10 Ni2.16 S0.76 -","2","1","","Hu, Shuaifeng; Zhao, Pei; Shen, Wangqiang; Yu, Pengyuan; Huang, Wenhuan; Ehara, Masahiro; Xie, Yunpeng; Akasaka, Takeshi; Lu, Xing","Crystallographic characterization of Er<sub>3</sub>N@C<sub>2n</sub> (2n = 80, 82, 84, 88): the importance of a planar Er<sub>3</sub>N cluster.","Nanoscale","2019","11","28","13415","13422","10.1039/c9nr04330f","","","0.6525","synchrotron","","0.0767","0.0743","","","0.1892","0.1913","","","","","","1.019","","","","has coordinates,has disorder","224655","2020-10-21","18:00:00",""
"1552102","17.2565","0.0018","26.289","0.003","19.28","0.002","90","","95.108","0.001","90","","8711.8","1.6","296","2","296.15","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C156 H144 Au13 Cu2 F6 P6 S6 Sb -","- C156 H144 Au13 Cu2 F6 P6 S6 Sb -","- C312 H288 Au26 Cu4 F12 P12 S12 Sb2 -","2","0.5","","Zhou, Chuanjun; Li, Hao; Song, Yongbo; Ke, Feng; Xu, Wen Wu; Zhu, Manzhou","Insights into the effect of surface coordination on the structure and properties of Au<sub>13</sub>Cu<sub>2</sub> nanoclusters.","Nanoscale","2019","11","41","19393","19397","10.1039/c9nr04457d","","","0.71073","MoKα","","0.1032","0.0574","","","0.1415","0.16","","","","","","1.07","","","","has coordinates","224660","2020-10-21","18:00:00",""
"1552122","30.0622","0.0012","17.3584","0.0007","29.8055","0.0012","90","","109.487","0.001","90","","14662.5","1","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C75 H175 Ag20 O24 P12 Pd S24 -","- C75 H175 Ag20 O24 P12 Pd S24 -","- C300 H700 Ag80 O96 P48 Pd4 S96 -","4","1","","Barik, Subrat Kumar; Chiu, Tzu-Hao; Liu, Yu-Chiao; Chiang, Ming-Hsi; Gam, Franck; Chantrenne, Isaac; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Mono- and hexa-palladium doped silver nanoclusters stabilized by dithiolates.","Nanoscale","2019","11","31","14581","14586","10.1039/c9nr05068j","","","0.71073","MoKα","","0.052","0.0387","","","0.0885","0.0979","","","","","","1.035","","","","has coordinates,has disorder","224665","2020-10-21","18:00:00",""
"1552123","14.5737","0.0007","17.067","0.0008","17.2156","0.0008","118.287","0.001","92.204","0.001","105.165","0.001","3572.3","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H168 Ag14 O24 P12 Pd6 S25 -","- C72 H168 Ag14 O24 P12 Pd6 S25 -","- C72 H168 Ag14 O24 P12 Pd6 S25 -","1","0.5","","Barik, Subrat Kumar; Chiu, Tzu-Hao; Liu, Yu-Chiao; Chiang, Ming-Hsi; Gam, Franck; Chantrenne, Isaac; Kahlal, Samia; Saillard, Jean-Yves; Liu, C. W.","Mono- and hexa-palladium doped silver nanoclusters stabilized by dithiolates.","Nanoscale","2019","11","31","14581","14586","10.1039/c9nr05068j","","","0.71073","MoKα","","0.0376","0.0302","","","0.0675","0.0735","","","","","","1.03","","","","has coordinates,has disorder","224665","2020-10-21","18:00:00",""
"1552267","24.4039","0.0009","17.9573","0.0007","18.9278","0.0008","90","","90.465","0.001","90","","8294.4","0.6","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Er2C2@C2(43)-C90 Ni(OEP)","Er2C2@C2(43)-C90 Ni(OEP)","","- C140 H56 Er2 N4 Ni S0 -","- C140 H56 Er1.9998 N4 Ni -","- C560 H224 Er7.9992 N16 Ni4 -","4","0.5","","Hu, Shuaifeng; Shen, Wangqiang; Zhao, Pei; Xu, Ting; Slanina, Zdeněk; Ehara, Masahiro; Zhao, Xiang; Xie, Yunpeng; Akasaka, Takeshi; Lu, Xing","Crystallographic characterization of Er<sub>2</sub>C<sub>2</sub>@C<sub>2</sub>(43)-C<sub>90</sub>, Er<sub>2</sub>C<sub>2</sub>@C<sub>2</sub>(40)-C<sub>90</sub>, Er<sub>2</sub>C<sub>2</sub>@C<sub>2</sub>(44)-C<sub>90</sub>, and Er<sub>2</sub>C<sub>2</sub>@C<sub>1</sub>(21)-C<sub>90</sub>: the role of cage-shape on cluster configuration.","Nanoscale","2019","11","37","17319","17326","10.1039/c9nr06466d","","","0.82654","synchrotron","","0.1297","0.1059","","","0.2925","0.313","","","","","","1.07","","","","has coordinates,has disorder","224657","2020-10-21","18:00:00",""
"1552268","24.7746","0.0008","17.6929","0.0006","23.2522","0.0007","90","","103.045","0.001","90","","9929.2","0.6","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Er2C2@C1-C90 Ni(OEP)","Er2C2@C1-C90 Ni(OEP)","","- C304 H144 Er4 N12 Ni3 S0 -","- C303 H144 Er4.0002 N12 Ni3 -","- C606 H288 Er8.0004 N24 Ni6 -","2","0.25","","Hu, Shuaifeng; Shen, Wangqiang; Zhao, Pei; Xu, Ting; Slanina, Zdeněk; Ehara, Masahiro; Zhao, Xiang; Xie, Yunpeng; Akasaka, Takeshi; Lu, Xing","Crystallographic characterization of Er<sub>2</sub>C<sub>2</sub>@C<sub>2</sub>(43)-C<sub>90</sub>, Er<sub>2</sub>C<sub>2</sub>@C<sub>2</sub>(40)-C<sub>90</sub>, Er<sub>2</sub>C<sub>2</sub>@C<sub>2</sub>(44)-C<sub>90</sub>, and Er<sub>2</sub>C<sub>2</sub>@C<sub>1</sub>(21)-C<sub>90</sub>: the role of cage-shape on cluster configuration.","Nanoscale","2019","11","37","17319","17326","10.1039/c9nr06466d","","","0.82654","synchrotron","","0.0958","0.0776","","","0.2297","0.2556","","","","","","1.023","","","","has coordinates,has disorder","224657","2020-10-21","18:00:00",""
"1552269","24.2849","0.0017","18.2618","0.0013","18.5731","0.0013","90","","91.612","0.003","90","","8233.6","1","150","2","150","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Er2C2@C2-C90 Ni(OEP)","Er2C2@C2-C90 Ni(OEP)","","- C134 H50 Er2 N4 Ni S0 -","- C134 H50 Er2 N4 Ni -","- C536 H200 Er8 N16 Ni4 -","4","0.5","","Hu, Shuaifeng; Shen, Wangqiang; Zhao, Pei; Xu, Ting; Slanina, Zdeněk; Ehara, Masahiro; Zhao, Xiang; Xie, Yunpeng; Akasaka, Takeshi; Lu, Xing","Crystallographic characterization of Er<sub>2</sub>C<sub>2</sub>@C<sub>2</sub>(43)-C<sub>90</sub>, Er<sub>2</sub>C<sub>2</sub>@C<sub>2</sub>(40)-C<sub>90</sub>, Er<sub>2</sub>C<sub>2</sub>@C<sub>2</sub>(44)-C<sub>90</sub>, and Er<sub>2</sub>C<sub>2</sub>@C<sub>1</sub>(21)-C<sub>90</sub>: the role of cage-shape on cluster configuration.","Nanoscale","2019","11","37","17319","17326","10.1039/c9nr06466d","","","1.54178","CuKα","","0.12","0.1084","","","0.3211","0.3296","","","","","","1.121","","","","has coordinates,has disorder","224657","2020-10-21","18:00:00",""
"1552270","24.3837","0.0006","17.8891","0.0005","18.9805","0.0005","90","","90.101","0.001","90","","8279.3","0.4","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","Er2C2@C2-C90 Ni(OEP)","Er2C2@C2-C90 Ni(OEP)","","- C128 H44 Er2 N4 Ni S0 -","- C128 H44 Er1.9992 N4 Ni -","- C512 H176 Er7.9968 N16 Ni4 -","4","0.5","","Hu, Shuaifeng; Shen, Wangqiang; Zhao, Pei; Xu, Ting; Slanina, Zdeněk; Ehara, Masahiro; Zhao, Xiang; Xie, Yunpeng; Akasaka, Takeshi; Lu, Xing","Crystallographic characterization of Er<sub>2</sub>C<sub>2</sub>@C<sub>2</sub>(43)-C<sub>90</sub>, Er<sub>2</sub>C<sub>2</sub>@C<sub>2</sub>(40)-C<sub>90</sub>, Er<sub>2</sub>C<sub>2</sub>@C<sub>2</sub>(44)-C<sub>90</sub>, and Er<sub>2</sub>C<sub>2</sub>@C<sub>1</sub>(21)-C<sub>90</sub>: the role of cage-shape on cluster configuration.","Nanoscale","2019","11","37","17319","17326","10.1039/c9nr06466d","","","0.82654","synchrotron","","0.1293","0.1131","","","0.2817","0.2965","","","","","","1.063","","","","has coordinates,has disorder","224657","2020-10-21","18:00:00",""
"1552275","36.5504","0.0007","36.5504","0.0007","36.5504","0.0007","90","","90","","90","","48828.8","1.6","297","2","297","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C70 H132 Ag17 N14 S28 -","- C70 H132 Ag17 N14 S28 -","- C840 H1584 Ag204 N168 S336 -","12","0.25","","Wu, Tong; Yin, Di; Hu, Xun; Yang, Bo; Liu, Hong; Xie, Yun-Peng; Liu, Shi-Xi; Ma, Lulu; Gao, Guang-Gang","A disulfur ligand stabilization approach to construct a silver(i)-cluster-based porous framework as a sensitive SERS substrate.","Nanoscale","2019","11","35","16293","16298","10.1039/c9nr05301h","","","1.54184","CuKα","","0.0622","0.0357","","","0.0879","0.1015","","","","","","1.034","","","","has coordinates","224668","2020-10-21","18:00:00",""
"1552277","6.189","","12.221","","12.196","","86.03","","75.35","","79.55","","877.396","","293","2","293","2","","","","","","","","6","P 1","P 1","1","","","","- C26 H52 N6 O2 Pt S4 -","- C26 H52 N6 O2 Pt S4 -","- C26 H52 N6 O2 Pt S4 -","1","1","","Bisceglie, Franco; Orsoni, Nicolò; Pioli, Marianna; Bonati, Beatrice; Tarasconi, Pieralberto; Rivetti, Claudio; Amidani, Davide; Montalbano, Serena; Buschini, Annamaria; Pelosi, Giorgio","Cytotoxic activity of copper(ii), nickel(ii) and platinum(ii) thiosemicarbazone derivatives: interaction with DNA and the H2A histone peptide.","Metallomics : integrated biometal science","2019","11","10","1729","1742","10.1039/c9mt00166b","","","0.71073","MoKα","","0.0357","0.0352","","","0.0798","0.08","","","","","","1.051","","","","has coordinates,has disorder","224650","2020-10-21","18:00:00",""
"1552310","10.11","0.0009","12.7449","0.0011","14.2331","0.0012","85.456","0.002","75.679","0.001","87.617","0.003","1770.9","0.3","298","2","298.15","","","","","","","","","7","P -1","-P 1","2","","","","- C33 H30 N O4 P Pd S2 -","- C33 H30 N O4 P Pd S2 -","- C66 H60 N2 O8 P2 Pd2 S4 -","2","1","","Tan, Chen; Qasim, Muhammad; Pang, Wenmin; Chen, Changle","Ligand‒metal secondary interactions in phosphine‒sulfonate palladium and nickel catalyzed ethylene (co)polymerization","Polymer Chemistry","2020","11","2","411","416","10.1039/C9PY00904C","","","0.71073","MoKα","","0.1981","0.1027","","","0.2199","0.2451","","","","","","1.007","","","","has coordinates","257938","2020-10-21","18:00:00",""
"1552331","25.2129","0.0004","14.9535","0.0003","20.2524","0.0005","90","","97.136","0.002","90","","7576.4","0.3","110","2","110","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","DyEr@C82/NiOEP/C7H8","","","- C125 H52 Dy Er N4 Ni -","- C124.5 H54 Dy1.0001 Er1.0001 N4 Ni -","- C498 H216 Dy4.0004 Er4.0004 N16 Ni4 -","4","0.5","","Nie, Mingzhe; Yang, Le; Zhao, Chong; Meng, Haibing; Feng, Lai; Jin, Peng; Wang, Chunru; Wang, Taishan","A luminescent single-molecule magnet of dimetallofullerene with cage-dependent properties.","Nanoscale","2019","11","40","18612","18618","10.1039/c9nr05255k","","","0.71073","MoKα","","0.1053","0.0917","","","0.2588","0.2717","","","","","","1.002","","","","has coordinates,has disorder","224663","2020-10-21","18:00:00",""
"1552372","9.3882","0.0002","12.9082","0.0002","13.5032","0.0003","117.037","0.002","96.017","0.002","103.315","0.002","1376.31","0.06","160","1","160","1","","","","","","","","6","P -1","-P 1","2","","","","- C64 H52 Br2 P4 Ru S2 -","- C64 H52 Br2 P4 Ru S2 -","- C64 H52 Br2 P4 Ru S2 -","1","0.5","","Ho, Po-Yuen; Komber, Hartmut; Horatz, Kilian; Tsuda, Takuya; Mannsfeld, Stefan C. B.; Dmitrieva, Evgenia; Blacque, Olivier; Kraft, Ulrike; Sirringhaus, Henning; Lissel, Franziska","Synthesis and characterization of a semiconducting and solution-processable ruthenium-based polymetallayne","Polymer Chemistry","2020","11","2","472","479","10.1039/C9PY01090D","","x-ray","1.54184","CuKα","","0.0318","0.0312","","","0.0833","0.0837","","","","","","1.061","","","","has coordinates","257939","2020-10-21","18:00:00",""
"1552456","8.97942","0.00005","10.9358","0.00006","27.051","0.00016","90","","90","","90","","2656.33","0.03","125","","125","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H23 F3 N2 O5 -","- C31 H23 F3 N2 O5 -","- C124 H92 F12 N8 O20 -","4","1","","Shu, Chang; Liu, Honglei; Slawin, Alexandra M. Z.; Carpenter-Warren, Cameron; Smith, Andrew D.","Isothiourea-catalysed enantioselective Michael addition of N-heterocyclic pronucleophiles to α,β-unsaturated aryl esters","Chemical Science","2020","11","1","241","247","10.1039/C9SC04303A","","","1.54184","CuKα","","0.0268","0.0267","","","0.0699","0.07","","","","","","1.067","","","","has coordinates","257299","2020-10-21","18:00:00",""
"1552457","19.7387","0.0004","13.4237","0.0003","9.3356","0.0002","90","","93.107","0.002","90","","2469.98","0.09","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 F3 N3 O2 -","- C28 H26 F3 N3 O2 -","- C112 H104 F12 N12 O8 -","4","1","","Shu, Chang; Liu, Honglei; Slawin, Alexandra M. Z.; Carpenter-Warren, Cameron; Smith, Andrew D.","Isothiourea-catalysed enantioselective Michael addition of N-heterocyclic pronucleophiles to α,β-unsaturated aryl esters","Chemical Science","2020","11","1","241","247","10.1039/C9SC04303A","","x-ray","1.54184","CuKα","","0.0567","0.0525","","","0.1495","0.1525","","","","","","1.04","","","","has coordinates","257299","2020-10-21","18:00:00",""
"1552458","13.5575","0.0002","23.9425","0.0003","19.8418","0.0003","90","","93.584","0.002","90","","6428.06","0.16","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H26 F3 N3 O2 -","- C28 H26 F3 N3 O2 -","- C280 H260 F30 N30 O20 -","10","5","","Shu, Chang; Liu, Honglei; Slawin, Alexandra M. Z.; Carpenter-Warren, Cameron; Smith, Andrew D.","Isothiourea-catalysed enantioselective Michael addition of N-heterocyclic pronucleophiles to α,β-unsaturated aryl esters","Chemical Science","2020","11","1","241","247","10.1039/C9SC04303A","","x-ray","1.54184","CuKα","","0.0499","0.0406","","","0.1046","0.1093","","","","","","0.998","","","","has coordinates","257299","2020-10-21","18:00:00",""
"1552504","39.763","0.002","37.788","0.002","8.9491","0.0005","90","","90","","90","","13446.6","1.2","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C20 H22 B N -","- C20 H22 B N -","- C640 H704 B32 N32 -","32","2","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.0618","0.0468","","","0.1267","0.1391","","","","","","1.075","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1552505","11.605","0.0005","9.0305","0.0005","15.7985","0.0008","90","","102.127","0.0016","90","","1618.72","0.14","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 B Cr O3 S -","- C17 H17 B Cr O3 S -","- C68 H68 B4 Cr4 O12 S4 -","4","1","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.044","0.0325","","","0.0727","0.0778","","","","","","1.053","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1552506","8.7781","0.0009","10.9283","0.0011","12.3004","0.0012","70.809","0.004","87.538","0.005","79.597","0.005","1095.91","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H27 B O -","- C28 H27 B O -","- C56 H54 B2 O2 -","2","1","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.0648","0.0472","","","0.1116","0.1213","","","","","","1.049","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1552507","13.441","0.0008","13.1854","0.0008","24.0772","0.0016","90","","94.762","0.002","90","","4252.4","0.5","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H27 B O -","- C27 H27 B O -","- C216 H216 B8 O8 -","8","2","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.058","0.0437","","","0.1059","0.1127","","","","","","1.098","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1552508","14.454","0.002","7.2349","0.0007","21.474","0.003","90","","100.708","0.004","90","","2206.5","0.5","149","2","149","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 B O -","- C28 H29 B O -","- C112 H116 B4 O4 -","4","1","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.1359","0.0553","","","0.1092","0.1356","","","","","","1.006","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1552533","13.885","0.002","17.841","0.003","22.499","0.004","83.99","0.002","73.932","0.002","85.868","0.002","5320.9","1.5","110","","110","","","","","","","","","6","P -1","-P 1","2","","","","- C88 H76 F24 N14 P4 Ru2 -","- C88 H76 F24 N14 P4 Ru2 -","- C176 H152 F48 N28 P8 Ru4 -","2","1","","Smitten, Kirsty L.; Fairbanks, Simon D.; Robertson, Craig C.; Bernardino de la Serna, Jorge; Foster, Simon J.; Thomas, Jim A.","Ruthenium based antimicrobial theranostics - using nanoscopy to identify therapeutic targets and resistance mechanisms in <i>Staphylococcus aureus</i>.","Chemical science","2020","11","1","70","79","10.1039/c9sc04710g","","","0.71073","MoKα","","0.1711","0.091","","","0.2262","0.2806","","","","","","1.026","","","","has coordinates","248868","2020-10-21","18:00:00",""
"1552713","14.8195","0.0008","20.8662","0.0012","9.5394","0.0007","90","","90","","90","","2949.8","0.3","100","2","99.99","","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C44 H42 F18 N6 P3 S2 -","- C44 H42 F18 N6 P3 S2 -","- C88 H84 F36 N12 P6 S4 -","2","0.25","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.1185","0.1123","","","0.2975","0.3018","","","","","","1.05","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552714","19.886","0.004","20.698","0.004","20.515","0.004","90","","90","","90","","8444","3","100","2","100.01","","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C78 H73 F30 N11 P5 -","- C78 H73 F30 N11 P5 -","- C312 H292 F120 N44 P20 -","4","0.5","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.0876","0.0542","","","0.1341","0.1579","","","","","","1.051","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552715","14.1423","0.0006","21.9108","0.0007","9.5937","0.0003","90","","90","","90","","2972.79","0.18","100","2","100","2","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C48 H46 F18 N6 P3 -","- C48 H46 F18 N6 P3 -","- C96 H92 F36 N12 P6 -","2","0.25","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.1427","0.1009","","","0.314","0.3523","","","","","","1.195","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552716","7.4563","0.0011","20.125","0.003","13.948","0.002","90","","91.831","0.008","90","","2091.9","0.5","100","2","99.99","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 F24 N4 P4 -","- C36 H32 F24 N4 P4 -","- C72 H64 F48 N8 P8 -","2","0.5","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.0573","0.0485","","","0.1188","0.1248","","","","","","1.066","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552717","10.3821","0.0005","21.5348","0.0009","9.6558","0.0004","90","","90","","90","","2158.81","0.16","100","2","99.98","","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C32 H28 F12 N4 P2 S2 -","- C32 H28 F12 N4 P2 S2 -","- C64 H56 F24 N8 P4 S4 -","2","0.25","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.0525","0.0471","","","0.1507","0.1561","","","","","","1.08","","","","has coordinates","248866","2020-10-21","18:00:00",""
"1552718","11.2904","0.0011","16.9439","0.0018","24.966","0.003","75.157","0.01","86.061","0.011","86.58","0.009","4601.4","0.9","99.98","","99.98","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H31 F24 N5 P4 -","- C35 H31 F24 N5 P4 -","- C140 H124 F96 N20 P16 -","4","2","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","x-ray","1.54184","CuKα","","0.3412","0.2375","","","0.5158","0.605","","","","","","1.535","","","","has coordinates","248866","2020-10-21","18:00:00",""
"1552719","10.266","0.0006","21.7433","0.0014","9.8244","0.0006","90","","90","","90","","2193","0.2","100","2","100.01","","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C34 H30 F12 N4 P2 S -","- C34 H30 F12 N4 P2 S -","- C68 H60 F24 N8 P4 S2 -","2","0.25","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.0585","0.0509","","","0.1542","0.1601","","","","","","1.073","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552720","14.8597","0.0015","21.003","0.002","9.5902","0.0009","90","","90","","90","","2993.1","0.5","100","2","99.95","","","","","","","","","6","P b a m","-P 2 2ab","55","","","","- C44 H42 F18 N6 P3 S -","- C44 H42 F18 N6 P3 S -","- C88 H84 F36 N12 P6 S2 -","2","0.25","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.1497","0.1358","","","0.3484","0.3577","","","","","","1.062","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552721","13.603","0.0013","13.8062","0.0013","16.0216","0.0016","101.314","0.006","111.832","0.006","107.987","0.006","2486.3","0.5","100","2","100.02","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16.5 F12 N2.5 P2 S0.5 -","- C18 H16.5 F12 N2.5 P2 S0.5 -","- C72 H66 F48 N10 P8 S2 -","4","2","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","0.71073","MoKα","","0.2373","0.1355","","","0.3849","0.4408","","","","","","1.299","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552722","14.1183","0.0009","21.8905","0.0011","9.5412","0.0005","90","","90","","90","","2948.8","0.3","100","2","99.98","","","","","","","","","5","P b a m","-P 2 2ab","55","","","","- C47 H45 F18 N7 P3 -","- C47 H45 F18 N7 P3 -","- C94 H90 F36 N14 P6 -","2","0.25","","Cai, Kang; Shi, Yi; Cao, Changsu; Vemuri, Suneal; Cui, Binbin; Shen, Dengke; Wu, Huang; Zhang, Long; Qiu, Yunyan; Chen, Hongliang; Jiao, Yang; Stern, Charlotte L.; Alsubaie, Fehaid M.; Xiao, Hai; Li, Jun; Stoddart, J. Fraser","Tuning radical interactions in trisradical tricationic complexes by varying host-cavity sizes.","Chemical science","2020","11","1","107","112","10.1039/c9sc04860j","","","1.54178","CuKα","","0.1384","0.125","","","0.3812","0.4081","","","","","","1.821","","","","has coordinates,has disorder","248866","2020-10-21","18:00:00",""
"1552754","8.064","0.003","11.97","0.004","7.036","0.003","90","","90","","90","","679.2","0.4","296","2","296.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- Al B3 Cs F O6 -","- Al B3 Cs F O6 -","- Al4 B12 Cs4 F4 O24 -","4","1","","Liu, Hongkun; Wang, Ying; Zhang, Bingbing; Yang, Zhihua; Pan, Shilie","CsAlB3O6F: a beryllium-free deep-ultraviolet nonlinear optical material with enhanced thermal stability","Chemical Science","2020","11","3","694","698","10.1039/C9SC04862F","","","0.71073","MoKα","","0.0502","0.0283","","","0.0567","0.0643","","","","","","1.022","","","","has coordinates","257428","2020-10-21","18:00:00",""
"1552755","13.5698","0.0013","29.244","0.003","16.5759","0.0017","90","","105.764","0.002","90","","6330.5","1.1","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C57 H52 F6 Ir N6 O P2 Sb -","- C57 H52 F6 Ir N6 O P2 Sb -","- C228 H208 F24 Ir4 N24 O4 P8 Sb4 -","4","1","","Wang, Xiuxiu; Zhang, Jingyi; Zhao, Xinyang; Wei, Wei; Zhao, Jing","Imaging and proteomic study of a clickable iridium complex.","Metallomics : integrated biometal science","2019","11","8","1344","1352","10.1039/c9mt00134d","","","0.71073","MoKα","","0.1005","0.0684","","","0.1693","0.1825","","","","","","1.059","","","","has coordinates,has disorder","223392","2020-10-21","18:00:00",""
"1552758","16.404","0.008","5.345","0.003","38.959","0.018","90","","96.154","0.01","90","","3396","3","296","2","296","2","","","","","","","","4","C 1 2 1","C 2y","5","","Uridine nucleolipids","","- C33 H56 N2 O8 -","- C33 H56 N2 O8 -","- C132 H224 N8 O32 -","4","1","","Nuthanakanti, Ashok; Walunj, Manisha B.; Torris, Arun; Badiger, Manohar V.; Srivatsan, Seergazhi G.","Self-assemblies of nucleolipid supramolecular synthons show unique self-sorting and cooperative assembling process.","Nanoscale","2019","11","24","11956","11966","10.1039/c9nr01863h","","","0.71073","MoKα","","0.0745","0.0619","","","0.1527","0.163","","","","","","1.117","","","","has coordinates","223404","2020-10-21","18:00:00",""
"1552759","83.98","0.04","7.173","0.004","7.066","0.003","90","","94.66","0.02","90","","4242","4","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","nucleolipid","uridine dimyristirate","","- C37 H64 N2 O8 -","- C37 H64 N2 O8 -","- C148 H256 N8 O32 -","4","1","","Nuthanakanti, Ashok; Walunj, Manisha B.; Torris, Arun; Badiger, Manohar V.; Srivatsan, Seergazhi G.","Self-assemblies of nucleolipid supramolecular synthons show unique self-sorting and cooperative assembling process.","Nanoscale","2019","11","24","11956","11966","10.1039/c9nr01863h","","","0.71073","MoKα","","0.2197","0.0833","","","0.1736","0.2163","","","","","","0.972","","","","has coordinates","223404","2020-10-21","18:00:00",""
"1552760","19.9658","0.0006","20.2722","0.0014","20.4027","0.0012","60.809","0.007","70.785","0.004","78.996","0.004","6803","0.8","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C148 H194 Ag44 O84 S38 V10 -","- C148 H194 Ag44 O84 S38 V10 -","- C148 H194 Ag44 O84 S38 V10 -","1","0.5","","Wang, Zhi; Sun, Yi-Ming; Qu, Qing-Ping; Liang, Yu-Xin; Wang, Xing-Po; Liu, Qing-Yun; Kurmoo, Mohamedally; Su, Hai-Feng; Tung, Chen-Ho; Sun, Di","Enclosing classical polyoxometallates in silver nanoclusters.","Nanoscale","2019","11","22","10927","10931","10.1039/c9nr04045e","","x-ray","0.71073","MoKα","","0.1256","0.0858","","","0.2125","0.2387","","","","","","1.024","","","","has coordinates,has disorder","223405","2020-10-21","18:00:00",""
"1552761","32.558","0.004","32.558","0.004","32.558","0.004","90","","90","","90","","34512","7","123","2","123","2","","","","","","","","7","F m -3 c","-F 4a 2 3","226","","","","- C48 H120 Ag44 Cl12 Mo6 O19 S27 -","- C48 H120 Ag44 Cl12 Mo6 O19 S27 -","- C384 H960 Ag352 Cl96 Mo48 O152 S216 -","8","0.0416667","","Wang, Zhi; Sun, Yi-Ming; Qu, Qing-Ping; Liang, Yu-Xin; Wang, Xing-Po; Liu, Qing-Yun; Kurmoo, Mohamedally; Su, Hai-Feng; Tung, Chen-Ho; Sun, Di","Enclosing classical polyoxometallates in silver nanoclusters.","Nanoscale","2019","11","22","10927","10931","10.1039/c9nr04045e","","","0.71073","MoKα","","0.1002","0.0713","","","0.1746","0.2014","","","","","","1.104","","","","has coordinates","223405","2020-10-21","18:00:00",""
"1552762","25.751","0.0015","30.6808","0.0017","19.5302","0.0011","90","","126.577","0.0006","90","","12391.3","1.2","123","2","123","2","","","","","","","","6","C 1 m 1","C -2y","8","","","","- C137 H190 Ag46 O76 S38 V10 -","- C137 H190 Ag46 O76 S38 V10 -","- C274 H380 Ag92 O152 S76 V20 -","2","0.5","","Wang, Zhi; Sun, Yi-Ming; Qu, Qing-Ping; Liang, Yu-Xin; Wang, Xing-Po; Liu, Qing-Yun; Kurmoo, Mohamedally; Su, Hai-Feng; Tung, Chen-Ho; Sun, Di","Enclosing classical polyoxometallates in silver nanoclusters.","Nanoscale","2019","11","22","10927","10931","10.1039/c9nr04045e","","","0.71073","MoKα","","0.0663","0.0591","","","0.1593","0.1672","","","","","","1.026","","","","has coordinates,has disorder","223405","2020-10-21","18:00:00",""
"1552763","20.2681","0.0016","20.2681","0.0016","7.1102","0.0008","90","","90","","90","","2920.8","0.5","180.15","","180.15","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C33 H28 O4 S4 -","- C33 H28 O4 S4 -","- C132 H112 O16 S16 -","4","0.25","","Šebera, Jakub; Lindner, Marcin; Gasior, Jindřich; Mészáros, Gábor; Fuhr, Olaf; Mayor, Marcel; Valášek, Michal; Kolivoška, Viliam; Hromadová, Magdaléna","Tuning the contact conductance of anchoring groups in single molecule junctions by molecular design.","Nanoscale","2019","11","27","12959","12964","10.1039/c9nr04071d","","x-ray","0.71073","MoKα","","0.0375","0.0294","","","0.0764","0.0796","","","","","","1.066","","","","has coordinates","223406","2020-10-21","18:00:00",""
"1552766","34.841","0.003","34.841","0.003","5.566","0.0006","90","","90","","120","","5851.3","1","296","2","296","2","","","","","","","","4","R 3 :H","R 3","146","","","","- C28 H22 N3 P -","- C28 H22 N3 P -","- C252 H198 N27 P9 -","9","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","","0.71073","MoKα","","0.0668","0.0489","","","0.1154","0.1267","","","","","","1.054","","","","has coordinates","248867","2020-10-21","18:00:00",""
"1552767","9.0625","0.0007","10.9721","0.0008","18.2236","0.0013","90","","90","","90","","1812.1","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 N3 O P -","- C19 H18 N3 O P -","- C76 H72 N12 O4 P4 -","4","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","","0.71073","MoKα","","0.0596","0.0485","","","0.1274","0.1359","","","","","","1.045","","","","has coordinates","248867","2020-10-21","18:00:00",""
"1552768","8.3114","0.0002","10.1411","0.0002","10.8128","0.0002","90","","107.963","0.002","90","","866.95","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H23 O3 P -","- C19 H23 O3 P -","- C38 H46 O6 P2 -","2","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","x-ray","1.54184","CuKα","","0.0357","0.0356","","","0.0875","0.0876","","","","","","1.07","","","","has coordinates,has disorder","248867","2020-10-21","18:00:00",""
"1552769","6.0745","0.0001","19.8094","0.0002","9.9683","0.0001","90","","98.06","0.001","90","","1187.66","0.03","100","0.11","100","0.11","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H32 N O2 P S -","- C24 H32 N O2 P S -","- C48 H64 N2 O4 P2 S2 -","2","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","x-ray","1.54184","CuKα","","0.0328","0.0311","","","0.0745","0.0753","","","","","","1.044","","","","has coordinates","248867","2020-10-21","18:00:00",""
"1552770","8.6866","0.0003","10.7017","0.0004","11.1556","0.0003","72.428","0.003","86.595","0.003","70.591","0.003","931.5","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Au Cl3 P -","- C16 H18 Au Cl3 P -","- C32 H36 Au2 Cl6 P2 -","2","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","x-ray","1.54184","CuKα","","0.0604","0.057","","","0.1508","0.1531","","","","","","1.081","","","","has coordinates","248867","2020-10-21","18:00:00",""
"1552771","14.421","0.002","7.7894","0.0013","16.028","0.003","90","","114.539","0.004","90","","1637.8","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C36 H33 Cl N3 O3 P -","- C36 H33 Cl N3 O3 P -","- C72 H66 Cl2 N6 O6 P2 -","2","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","","0.71073","MoKα","","0.1285","0.0879","","","0.1703","0.192","","","","","","1.095","","","","has coordinates,has disorder","248867","2020-10-21","18:00:00",""
"1552772","7.6851","0.0003","12.5057","0.0005","13.9472","0.0005","90","","90","","90","","1340.43","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 O P -","- C15 H13 O P -","- C60 H52 O4 P4 -","4","1","","Zhu, Ren-Yi; Chen, Long; Hu, Xiao-Si; Zhou, Feng; Zhou, Jian","Enantioselective synthesis of <i>P</i>-chiral tertiary phosphine oxides with an ethynyl group <i>via</i> Cu(i)-catalyzed azide-alkyne cycloaddition.","Chemical science","2020","11","1","97","106","10.1039/c9sc04938j","","","0.71073","MoKα","","0.0338","0.0317","","","0.0897","0.0925","","","","","","1.003","","","","has coordinates","248867","2020-10-21","18:00:00",""
"1552854","7.427","0.002","7.782","0.003","13.74","0.005","89.382","0.01","89.146","0.01","68.679","0.01","739.7","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","1-(1,1,2,2,8,8,8,8,8-Nonafluoro-8λ8-octa-3,5,7-triyn-1-yl)naphthalene","","- C18 H7 F9 -","- C18 H7 F9 -","- C36 H14 F18 -","2","1","","Xie, Qiqiang; Zhu, Ziyue; Li, Lingchun; Ni, Chuanfa; Hu, Jinbo","Controllable double CF2-insertion into sp2 C‒Cu bond using TMSCF3: a facile access to tetrafluoroethylene-bridged structures","Chemical Science","2020","11","1","276","280","10.1039/C9SC05018C","","","0.71073","MoKα","","0.1222","0.0956","","","0.2657","0.3183","","","","","","1.231","","","","has coordinates","257300","2020-10-21","18:00:00",""
"1552855","14.4384","","16.0496","","20.713","","90","","96.573","","90","","4768.29","","123","","123","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C24 H32 N2 O3 S Si -","- C24 H32 N2 O3 S Si -","- C192 H256 N16 O24 S8 Si8 -","8","1","","Rej, Supriya; Chatani, Naoto","Rh(ii)-catalyzed branch-selective C-H alkylation of aryl sulfonamides with vinylsilanes.","Chemical science","2020","11","2","389","395","10.1039/c9sc04308j","","","0.71073","MoKα","","0.0502","0.0363","","","0.0944","0.0987","","","","","","1.085","","","","has coordinates","250224","2020-10-21","18:00:00",""
"1552856","17.4067","0.001","10.6112","0.001","22.164","0.002","90","","98.333","0.007","90","","4050.6","0.6","123","","123","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C38 H36 N4 O12 Rh2 S2 -","- C38 H36 N4 O12 Rh2 S2 -","- C152 H144 N16 O48 Rh8 S8 -","4","0.5","","Rej, Supriya; Chatani, Naoto","Rh(ii)-catalyzed branch-selective C-H alkylation of aryl sulfonamides with vinylsilanes.","Chemical science","2020","11","2","389","395","10.1039/c9sc04308j","","","0.71073","MoKα","","0.1132","0.0897","","","0.2399","0.2618","","","","","","1.041","","","","has coordinates","250224","2020-10-21","18:00:00",""
"1552858","10.8204","0.0012","35.106","0.004","8.2849","0.0009","90","","110.005","0.001","90","","2957.2","0.6","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H54 Cl6 N4 O10 -","- C66 H54 Cl6 N4 O10 -","- C132 H108 Cl12 N8 O20 -","2","0.5","","Dai, Heshuang; Shichibu, Yukatsu; Imai, Yoshitane; Hara, Nobuyuki; Konishi, Katsuaki; Wang, Yue; Song, Zhiyi; Nakano, Tamaki","Synthesis and stereochemistry of helical polyurethanes based on 2,2′-dihydroxy-1,1′-binaphthyl and diisocyanatobenzenes","Polymer Chemistry","2020","11","6","1134","1144","10.1039/C9PY01348B","","","0.71073","MoKα","","0.0773","0.05","","","0.1352","0.1565","","","","","","1.011","","","","has coordinates,has disorder","257940","2020-10-21","18:00:00",""
"1552876","10.7063","0.0002","13.5187","0.0003","13.5554","0.0002","71.713","0.002","76.289","0.002","70.466","0.002","1736.4","0.06","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H45 Au N4 O4 S -","- C39 H45 Au N4 O4 S -","- C78 H90 Au2 N8 O8 S2 -","2","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.0309","0.027","","","0.058","0.0597","","","","","","0.975","","","","has coordinates","250226","2020-10-21","18:00:00",""
"1552877","10.4512","0.0001","18.0543","0.0002","38.7653","0.0005","90","","90","","90","","7314.59","0.14","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C41 H52 Au Cl2 N3 -","- C41 H52 Au Cl2 N3 -","- C328 H416 Au8 Cl16 N24 -","8","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.0302","0.0266","","","0.0829","0.0851","","","","","","1.065","","","","has coordinates","250226","2020-10-21","18:00:00",""
"1552878","12.6173","0.001","13.9286","0.0006","19.607","0.0009","90","","108.245","0.007","90","","3272.5","0.4","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H47 Au N2 S -","- C39 H47 Au N2 S -","- C156 H188 Au4 N8 S4 -","4","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.0218","0.0182","","","0.0472","0.0489","","","","","","1.046","","","","has coordinates","250226","2020-10-21","18:00:00",""
"1552879","12.6669","0.0004","17.4884","0.0005","17.3107","0.0005","90","","108.451","0.003","90","","3637.6","0.2","140","0.6","140","0.6","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H51 Au N2 -","- C45 H51 Au N2 -","- C180 H204 Au4 N8 -","4","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.0314","0.0229","","","0.0529","0.0567","","","","","","1.027","","","","has coordinates","250226","2020-10-21","18:00:00",""
"1552880","10.0502","0.0002","17.6546","0.0003","39.3833","0.0006","90","","90","","90","","6987.9","0.2","140","2","140","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H49 Au Cl2 N2 O -","- C40 H49 Au Cl2 N2 O -","- C320 H392 Au8 Cl16 N16 O8 -","8","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.0706","0.0652","","","0.1031","0.1048","","","","","","1.461","","","","has coordinates","250226","2020-10-21","18:00:00",""
"1552881","21.965","0.0005","16.1816","0.0003","20.6249","0.0007","90","","99.929","0.003","90","","7220.9","0.3","139.9","0.6","139.9","0.6","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C79 H96 Au2 Cl2 N4 O4 S2 -","- C79 H96 Au2 Cl2 N4 O4 S2 -","- C316 H384 Au8 Cl8 N16 O16 S8 -","4","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.0718","0.0545","","","0.1636","0.173","","","","","","1.325","","","","has coordinates,has disorder","250226","2020-10-21","18:00:00",""
"1552882","34.2921","0.0008","13.9716","0.0003","17.0268","0.0004","90","","90","","90","","8157.8","0.3","140.1","1","140.1","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C42 H53 Au N2 -","- C42 H53 Au N2 -","- C336 H424 Au8 N16 -","8","1","","Romanov, Alexander S.; Jones, Saul T. E.; Gu, Qinying; Conaghan, Patrick J.; Drummond, Bluebell H.; Feng, Jiale; Chotard, Florian; Buizza, Leonardo; Foley, Morgan; Linnolahti, Mikko; Credgington, Dan; Bochmann, Manfred","Carbene metal amide photoemitters: tailoring conformationally flexible amides for full color range emissions including white-emitting OLED.","Chemical science","2020","11","2","435","446","10.1039/c9sc04589a","","","0.71073","MoKα","","0.057","0.0353","","","0.0799","0.0874","","","","","","1.09","","","","has coordinates","250226","2020-10-21","18:00:00",""
"1552883","9.5034","0.0017","10.6505","0.0019","21.889","0.004","96.945","0.003","102.069","0.003","99.44","0.003","2109.4","0.7","90","2","90","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H24 O2 -","- C28 H24 O2 -","- C112 H96 O8 -","4","2","","Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes.","Chemical science","2020","11","2","494","498","10.1039/c9sc05111b","","","0.71073","MoKα","","0.0389","0.0361","","","0.0932","0.0959","","","","","","1.033","","","","has coordinates","256041","2020-10-21","18:00:00",""
"1552884","17.3724","0.0008","5.5677","0.0003","18.8919","0.0012","90","","111.661","0.0019","90","","1698.27","0.16","90","2","90","2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C23 H20 O -","- C23 H20 O -","- C92 H80 O4 -","4","1","","Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes.","Chemical science","2020","11","2","494","498","10.1039/c9sc05111b","","","1.54178","CuKα","","0.0308","0.0301","","","0.0792","0.08","","","","","","1.04","","","","has coordinates","256041","2020-10-21","18:00:00",""
"1552885","9.0262","0.0004","10.7097","0.0004","14.6781","0.0006","90","","90","","90","","1418.9","0.1","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O2 -","- C18 H17 N O2 -","- C72 H68 N4 O8 -","4","1","","Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes.","Chemical science","2020","11","2","494","498","10.1039/c9sc05111b","","","1.54178","CuKα","","0.0263","0.0262","","","0.0696","0.0697","","","","","","1.065","","","","has coordinates","256041","2020-10-21","18:00:00",""
"1552886","5.5431","0.0002","17.2727","0.0006","17.7127","0.0006","90","","90","","90","","1695.89","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C92 H76 N4 O8 -","4","1","","Nickerson, Leslie A.; Bergstrom, Benjamin D.; Gao, Mingchun; Shiue, Yuan-Shin; Laconsay, Croix J.; Culberson, Matthew R.; Knauss, Walker A.; Fettinger, James C.; Tantillo, Dean J.; Shaw, Jared T.","Enantioselective synthesis of isochromans and tetrahydroisoquinolines by C-H insertion of donor/donor carbenes.","Chemical science","2020","11","2","494","498","10.1039/c9sc05111b","","","1.54178","CuKα","","0.0258","0.025","","","0.0645","0.0651","","","","","","1.043","","","","has coordinates","256041","2020-10-21","18:00:00",""
"1552946","10.936","0.004","9.071","0.003","12.562","0.005","90","","94.63","0.005","90","","1242.1","0.8","173","2","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","compound 21","compound 21","","- C23 H31 N O7 Si -","- C23 H31 N O7 Si -","- C46 H62 N2 O14 Si2 -","2","1","","Yu, Haiyong; Zong, Yan; Xu, Tao","Total synthesis of (−)-penicimutanin a and related congeners","Chemical Science","2020","11","3","656","660","10.1039/C9SC05252F","","","0.71073","MoKα","","0.0598","0.0575","","","0.143","0.1458","","","","","","1.049","","","","has coordinates","257421","2020-10-21","18:00:00",""
"1552947","8.7818","0.0005","21.1435","0.0013","10.5555","0.0007","90","","92.327","0.002","90","","1958.3","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","PMA-27","PMA-27","","- C45 H47 N4 O9 -","- C45 H47 N4 O9 -","- C90 H94 N8 O18 -","2","1","","Yu, Haiyong; Zong, Yan; Xu, Tao","Total synthesis of (−)-penicimutanin a and related congeners","Chemical Science","2020","11","3","656","660","10.1039/C9SC05252F","","","1.54178","CuKα","","0.1039","0.063","","","0.1146","0.1305","","","","","","1.032","","","","has coordinates,has disorder","257421","2020-10-21","18:00:00",""
"1552948","7.355","0.0004","12.9923","0.0007","24.5807","0.0014","90","","90","","90","","2348.9","0.2","295","","295","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H12 Br2 N2 O6 -","- C26 H12 Br2 N2 O6 -","- C104 H48 Br8 N8 O24 -","4","1","","Bao, Xiaoze; Rodriguez, Jean; Bonne, Damien","Bidirectional enantioselective synthesis of bis-benzofuran atropisomeric oligoarenes featuring two distal C-C stereogenic axes.","Chemical science","2020","11","2","403","408","10.1039/c9sc04378k","","x-ray","0.71073","MoKα","","0.0655","0.0405","","","0.0841","0.0942","","","","","","1.027","","","","has coordinates","250228","2020-10-21","18:00:00",""
"1552949","15.0405","0.0002","8.4792","0.0001","13.8431","0.0001","90","","106.602","0.001","90","","1691.83","0.03","295","","295","","","","","","","","","4","I 1 2 1","I 2y","5","","","","- C16.05 H12.45 N O5 -","- C16.05 H12.45 N O5 -","- C64.2 H49.8 N4 O20 -","4","1","","Bao, Xiaoze; Rodriguez, Jean; Bonne, Damien","Bidirectional enantioselective synthesis of bis-benzofuran atropisomeric oligoarenes featuring two distal C-C stereogenic axes.","Chemical science","2020","11","2","403","408","10.1039/c9sc04378k","","x-ray","1.54184","CuKα","","0.0698","0.0695","","","0.1996","0.2005","","","","","","1.16","","","","has coordinates,has disorder","250228","2020-10-21","18:00:00",""
"1552950","15.2114","0.0017","15.0318","0.0019","22.042","0.002","90","","93.831","0.004","90","","5028.7","1","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C66 H50 N2 O4 -","- C66 H50 N2 O4 -","- C264 H200 N8 O16 -","4","2","","Dhbaibi, Kais; Favereau, Ludovic; Srebro-Hooper, Monika; Quinton, Cassandre; Vanthuyne, Nicolas; Arrico, Lorenzo; Roisnel, Thierry; Jamoussi, Bassem; Poriel, Cyril; Cabanetos, Clément; Autschbach, Jochen; Crassous, Jeanne","Modulation of circularly polarized luminescence through excited-state symmetry breaking and interbranched exciton coupling in helical push-pull organic systems.","Chemical science","2020","11","2","567","576","10.1039/c9sc05231c","","x-ray","0.71073","MoKα","","0.1354","0.0984","","","0.2509","0.278","","","","","","1.018","","","","has coordinates","250223","2020-10-21","18:00:00",""
"1552951","14.2115","0.0005","13.2334","0.0004","26.4184","0.0007","90","","116.384","0.003","90","","4450.9","0.3","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H19 N O S2 -","- C78 H19 N O S2 -","- C312 H76 N4 O4 S8 -","4","1","","Liu, Kai-Qing; Wang, Jun-Jie; Yan, Xing-Xing; Niu, Chuang; Wang, Guan-Wu","Regioselective electrosynthesis of tetra- and hexa-functionalized [60]fullerene derivatives with unprecedented addition patterns.","Chemical science","2020","11","2","384","388","10.1039/c9sc02131k","","","1.54184","CuKα","","0.1222","0.0789","","","0.1994","0.2308","","","","","","1.071","","","","has coordinates,has disorder","250227","2020-10-21","18:00:00",""
"1552952","11.6895","0.001","23.58","0.002","7.2918","0.0007","90","","94.989","0.003","90","","2002.3","0.3","119","2","119","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 Cl2 N3 O5 -","- C18 H23 Cl2 N3 O5 -","- C72 H92 Cl8 N12 O20 -","4","1","","Rajak, Aritra; Karan, Chandan Kumar; Theato, Patrick; Das, Anindita","Supramolecularly cross-linked amphiphilic block copolymer assembly by the dipolar interaction of a merocyanine dye","Polymer Chemistry","2020","11","3","695","703","10.1039/C9PY01492F","","","0.71073","MoKα","","0.0878","0.0684","","","0.1677","0.1884","","","","","","1.04","","","","has coordinates","257955","2020-10-21","18:00:00",""
"1556080","11.2529","0.0005","12.5689","0.0005","14.178","0.0006","90","","101.369","0.001","90","","1965.94","0.14","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C35 H38 Cl2 F6 Fe N4 O6 S2 -","- C35 H38 Cl2 F6 Fe N4 O6 S2 -","- C70 H76 Cl4 F12 Fe2 N8 O12 S4 -","2","1","","Wei, Jinhu; Cao, Bei; Tse, Chun-Wai; Chang, Xiao-Yong; Zhou, Cong-Ying; Che, Chi-Ming","Chiral cis-iron(ii) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics","Chemical Science","2020","11","3","684","693","10.1039/C9SC04858H","","","0.71073","MoKα","","0.0218","0.0211","","","0.0528","0.0532","","","","","","1.041","","","","has coordinates,has disorder","257426","2020-10-21","18:00:00",""
"1556081","11.265","0.0005","16.5488","0.0007","23.0009","0.001","90","","90","","90","","4287.9","0.3","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C38 H44 Cl4 F6 Fe N4 O6 S2 -","- C38 H44 Cl4 F6 Fe N4 O6 S2 -","- C152 H176 Cl16 F24 Fe4 N16 O24 S8 -","4","1","","Wei, Jinhu; Cao, Bei; Tse, Chun-Wai; Chang, Xiao-Yong; Zhou, Cong-Ying; Che, Chi-Ming","Chiral cis-iron(ii) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics","Chemical Science","2020","11","3","684","693","10.1039/C9SC04858H","","","0.71073","MoKα","","0.0613","0.0561","","","0.1523","0.1567","","","","","","1.051","","","","has coordinates,has disorder","257426","2020-10-21","18:00:00",""
"1556082","21.5973","0.0008","5.0981","0.0002","17.5377","0.0007","90","","91.771","0.001","90","","1930.07","0.13","100","","100","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H26 N3 O -","- C24 H26 N3 O -","- C96 H104 N12 O4 -","4","1","","Wei, Jinhu; Cao, Bei; Tse, Chun-Wai; Chang, Xiao-Yong; Zhou, Cong-Ying; Che, Chi-Ming","Chiral cis-iron(ii) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics","Chemical Science","2020","11","3","684","693","10.1039/C9SC04858H","","","1.54178","CuKα","","0.0302","0.0302","","","0.0798","0.0799","","","","","","1.048","","","","has coordinates","257426","2020-10-21","18:00:00",""
"1556083","8.63","0.005","15.205","0.007","12.2","0.009","90","","105.42","0.04","90","","1543.2","1.6","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H21 N3 O -","- C18 H21 N3 O -","- C72 H84 N12 O4 -","4","2","","Wei, Jinhu; Cao, Bei; Tse, Chun-Wai; Chang, Xiao-Yong; Zhou, Cong-Ying; Che, Chi-Ming","Chiral cis-iron(ii) complexes with metal- and ligand-centered chirality for highly regio- and enantioselective alkylation of N-heteroaromatics","Chemical Science","2020","11","3","684","693","10.1039/C9SC04858H","","","1.54178","CuKα","","0.0342","0.0342","","","0.0902","0.0903","","","","","","1.05","","","","has coordinates","257426","2020-10-21","18:00:00",""
"1556084","5.761","","15.9645","0.0001","20.7087","0.0002","90","","90","","90","","1904.61","0.02","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H17 N O6 S -","- C22 H17 N O6 S -","- C88 H68 N4 O24 S4 -","4","1","","Wang, Yunsheng; Yang, Jie; Tian, Yu; Fang, Manman; Liao, Qiuyan; Wang, Liwei; Hu, Wenping; Tang, Ben Zhong; Li, Zhen","Persistent organic room temperature phosphorescence: what is the role of molecular dimers?","Chemical Science","2020","11","3","833","838","10.1039/C9SC04632A","","x-ray","1.54184","CuKα","","0.029","0.0282","","","0.0784","0.0791","","","","","","1.037","","","","has coordinates","257427","2020-10-21","18:00:00",""
"1556085","6.6807","0.0002","19.9408","0.0007","14.2683","0.0004","90","","90","","90","","1900.8","0.1","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H17 N O4 S -","- C22 H17 N O4 S -","- C88 H68 N4 O16 S4 -","4","0.5","","Wang, Yunsheng; Yang, Jie; Tian, Yu; Fang, Manman; Liao, Qiuyan; Wang, Liwei; Hu, Wenping; Tang, Ben Zhong; Li, Zhen","Persistent organic room temperature phosphorescence: what is the role of molecular dimers?","Chemical Science","2020","11","3","833","838","10.1039/C9SC04632A","","x-ray","1.54184","CuKα","","0.0521","0.0489","","","0.1293","0.1328","","","","","","1.074","","","","has coordinates","257427","2020-10-21","18:00:00",""
"1556258","15.64","0.002","15.55","0.002","20.474","0.003","90","","90","","90","","4979.3","1.2","100","0.1","100","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","froab01","","","- C27 H33 N O5 S -","- C27 H33 N O5 S -","- C216 H264 N8 O40 S8 -","8","1","","Bitar, Abdallah Y.; Frontier, Alison J.","Formal synthesis of (+/-)-roseophilin.","Organic letters","2009","11","1","49","52","10.1021/ol802329y","","","0.71073","MoKα","","0.0614","0.0419","","","0.1046","0.1164","","","","","","1.03","","","","has coordinates","243604","2020-10-21","18:00:00",""
"1556261","9.5947","0.0011","4.8799","0.0006","13.6316","0.0016","90","","94.414","0.002","90","","636.35","0.13","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H7 F6 N S -","- C13 H7 F6 N S -","- C26 H14 F12 N2 S2 -","2","1","","Zubkov, Mikhail O.; Kosobokov, Mikhail D.; Levin, Vitalij V.; Kokorekin, Vladimir A.; Korlyukov, Alexander A.; Hu, Jinbo; Dilman, Alexander D.","A novel photoredox-active group for the generation of fluorinated radicals from difluorostyrenes","Chemical Science","2020","11","3","737","741","10.1039/C9SC04643G","","","0.71073","MoKα","","0.0419","0.0352","","","0.0759","0.079","","","","","","1.041","","","","has coordinates","257425","2020-10-21","18:00:00",""
"1556262","8.6198","0.0003","7.7249","0.0003","29.3919","0.0011","90","","91.201","0.001","90","","1956.69","0.13","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 F4 N2 S -","- C24 H14 F4 N2 S -","- C96 H56 F16 N8 S4 -","4","1","","Zubkov, Mikhail O.; Kosobokov, Mikhail D.; Levin, Vitalij V.; Kokorekin, Vladimir A.; Korlyukov, Alexander A.; Hu, Jinbo; Dilman, Alexander D.","A novel photoredox-active group for the generation of fluorinated radicals from difluorostyrenes","Chemical Science","2020","11","3","737","741","10.1039/C9SC04643G","","","0.71073","MoKα","","0.0581","0.0408","","","0.1","0.1097","","","","","","1.013","","","","has coordinates","257425","2020-10-21","18:00:00",""
"1556263","11.2568","0.0012","5.8241","0.0007","12.8702","0.0017","90","","112.433","0.004","90","","779.93","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 N2 O2 S2 -","- C20 H12 N2 O2 S2 -","- C40 H24 N4 O4 S4 -","2","0.5","","Li, Tao; Yan, Xiaodong; Liu, Yong; Zhang, Wen-Da; Fu, Qiu-Ting; Zhu, Haiyan; Li, Zaijun; Gu, Zhi-Guo","A 2D covalent organic framework involving strong intramolecular hydrogen bonds for advanced supercapacitors","Polymer Chemistry","2020","11","1","47","52","10.1039/C9PY01623F","","","0.71073","MoKα","","0.0709","0.0413","","","0.0697","0.0774","","","","","","1.053","","","","has coordinates","257935","2020-10-21","18:00:00",""
"1556265","13.4362","0.0006","18.3994","0.0008","20.2998","0.0008","106.666","0.001","108.577","0.001","103.771","0.001","4246.8","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C76 H94 Cl6 F6 N6 O10 Pt2 S2 -","- C76 H94 Cl6 F6 N6 O10 Pt2 S2 -","- C152 H188 Cl12 F12 N12 O20 Pt4 S4 -","2","1","","Leung, Sam Ka-Ming; Chan, Alan Kwun-Wa; Leung, Sammual Yu-Lut; Leung, Ming-Yi; Yam, Vivian Wing-Wah","Supramolecular assembly of bent dinuclear amphiphilic alkynylplatinum(ii) terpyridine complexes: diverse nanostructures through subtle tuning of the mode of molecular stacking.","Chemical science","2020","11","2","499","507","10.1039/c9sc04475b","","","0.71073","MoKα","","0.0995","0.0573","","","0.1129","0.1325","","","","","","1.069","","","","has coordinates,has disorder","250225","2020-10-21","18:00:00",""
"1556406","16.615","0.004","27.205","0.005","13.426","0.003","90","","112.678","0.004","90","","5600","2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CT-1?DMF","(HHTP)(HAT-CN)(6DMF)","","- C54 H54 N18 O12 -","- C54 H54 N18 O12 -","- C216 H216 N72 O48 -","4","1","","Nakashima, Kensuke; Shimizu, Takeshi; Kamakura, Yoshinobu; Hinokimoto, Akira; Kitagawa, Yasutaka; Yoshikawa, Hirofumi; Tanaka, Daisuke","A new design strategy for redox-active molecular assemblies with crystalline porous structures for lithium-ion batteries.","Chemical science","2020","11","1","37","43","10.1039/c9sc04175c","","","0.71075","MoKα","","0.101","0.0619","","","0.1618","0.1931","","","","","","0.995","","","","has coordinates,has disorder","250218","2020-10-21","18:00:00",""
"1556409","10.6925","0.0003","19.6374","0.0005","17.0321","0.0005","90","","101.118","0.003","90","","3509.16","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[{(Mes)N}(OCP)C]B[{N(2,6-iPr-C6H3)}2(CH)2]","","- C37 H47 B N3 O P -","- C37 H47 B N3 O P -","- C148 H188 B4 N12 O4 P4 -","4","1","","Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene","Chemical Science","2020","11","3","862","869","10.1039/C9SC05969E","","","1.54184","CuKα","","0.0666","0.0567","","","0.1564","0.1675","","","","","","1.071","","","","has coordinates","257423","2020-10-21","18:00:00",""
"1556410","10.6744","0.0003","13.4621","0.0004","14.8146","0.0004","82.534","0.002","88.654","0.002","84.679","0.002","2101.57","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","[{(Mes)N}{(Mes)NCP}C]B[{N(2,6-iPr-C6H3)}2(CH)2]","","- C46 H58 B N4 P -","- C46 H58 B N4 P -","- C92 H116 B2 N8 P2 -","2","1","","Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene","Chemical Science","2020","11","3","862","869","10.1039/C9SC05969E","","","1.54184","CuKα","","0.044","0.0363","","","0.0914","0.0969","","","","","","1.041","","","","has coordinates","257423","2020-10-21","18:00:00",""
"1556411","17.2385","0.0002","10.9928","0.0001","33.0859","0.0004","90","","96.506","0.001","90","","6229.38","0.12","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[{(tBu)NC}P]B[{N(2,6-iPr-C6H3)}2(CH)2]","","- C31 H45 B N3 P -","- C31 H45 B N3 P -","- C248 H360 B8 N24 P8 -","8","2","","Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene","Chemical Science","2020","11","3","862","869","10.1039/C9SC05969E","","","1.54184","CuKα","","0.0756","0.0641","","","0.1842","0.1946","","","","","","1.11","","","","has coordinates","257423","2020-10-21","18:00:00",""
"1556412","13.0269","0.0002","14.1779","0.0001","14.8915","0.0002","90","","112.746","0.001","90","","2536.47","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(PB[{N(2,6-iPr-C6H3)}2(CH)2])2","","- C52 H72 B2 N4 P2 -","- C52 H72 B2 N4 P2 -","- C104 H144 B4 N8 P4 -","2","0.5","","Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene","Chemical Science","2020","11","3","862","869","10.1039/C9SC05969E","","","1.54184","CuKα","","0.0433","0.037","","","0.0967","0.1016","","","","","","1.037","","","","has coordinates","257423","2020-10-21","18:00:00",""
"1556413","18.9679","0.0003","7.4054","0.0001","25.1568","0.0003","90","","107.29","0.001","90","","3373.97","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[{(Mes)NC}P]B[{N(2,6-iPr-C6H3)}2(CH)2]","","- C36 H47 B N3 P -","- C36 H47 B N3 P -","- C144 H188 B4 N12 P4 -","4","1","","Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene","Chemical Science","2020","11","3","862","869","10.1039/C9SC05969E","","","1.54184","CuKα","","0.0537","0.0471","","","0.1227","0.1283","","","","","","1.048","","","","has coordinates","257423","2020-10-21","18:00:00",""
"1556414","14.0563","0.0004","14.7947","0.0004","20.1864","0.0005","73.781","0.002","76.257","0.002","67.558","0.002","3684.82","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","cyclo-[(Me2IPr)C(O)CPB[{N(2,6-iPr-C6H3)}2(CH)2]PoB[{N(2,6-iPr-C6H3)}2(CH)2]*1.5hex","","- C74 H113 B2 N6 O2 P2 -","- C74 H113 B2 N6 O2 P2 -","- C148 H226 B4 N12 O4 P4 -","2","1","","Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene","Chemical Science","2020","11","3","862","869","10.1039/C9SC05969E","","","1.54184","CuKα","","0.064","0.0523","","","0.1399","0.1508","","","","","","1.043","","","","has coordinates","257423","2020-10-21","18:00:00",""
"1556415","9.3904","0.0001","14.2038","0.0001","20.3914","0.0002","90","","99.177","0.001","90","","2684.98","0.04","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","(OCP)B[{N(2,6-iPr-C6H3)}2(CH)2]","","- C27 H36 B N2 O P -","- C27 H36 B N2 O P -","- C108 H144 B4 N8 O4 P4 -","4","1","","Wilson, Daniel W. N.; Franco, Mauricio P.; Myers, William K.; McGrady, John E.; Goicoechea, Jose M.","Base induced isomerisation of a phosphaethynolato-borane: mechanistic insights into boryl migration and decarbonylation to afford a triplet phosphinidene","Chemical Science","2020","11","3","862","869","10.1039/C9SC05969E","","","1.54184","CuKα","","0.0459","0.04","","","0.1051","0.1106","","","","","","1.017","","","","has coordinates,has disorder","257423","2020-10-21","18:00:00",""
"1556534","11.2525","0.0002","9.2194","0.00013","59.1397","0.0009","90","","93.8053","0.0014","90","","6121.7","0.17","100.03","0.11","100.03","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","TPE-Py","TPE-EP-G","","- C34.5 H29 Cl F6 N P -","- C34.5 H29 Cl F6 N P -","- C276 H232 Cl8 F48 N8 P8 -","8","2","","Khorloo, Michidmaa; Cheng, Yanhua; Zhang, Haoke; Chen, Ming; Sung, Herman H. Y.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong","Polymorph selectivity of an AIE luminogen under nano-confinement to visualize polymer microstructures","Chemical Science","2020","11","4","997","1005","10.1039/C9SC04239C","","x-ray","1.54184","CuKα","","0.0744","0.0623","","","0.1501","0.1577","","","","","","1.036","","","","has coordinates,has disorder","279649","2022-11-30","18:17:27",""
"1556535","24.8939","0.0007","9.1783","0.0002","12.5794","0.0003","90","","98.168","0.003","90","","2845.03","0.12","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","TPE-Py","TPE-EP-Y","","- C34 H28 F6 N P -","- C34 H28 F6 N P -","- C136 H112 F24 N4 P4 -","4","1","","Khorloo, Michidmaa; Cheng, Yanhua; Zhang, Haoke; Chen, Ming; Sung, Herman H. Y.; Williams, Ian D.; Lam, Jacky W. Y.; Tang, Ben Zhong","Polymorph selectivity of an AIE luminogen under nano-confinement to visualize polymer microstructures","Chemical Science","2020","11","4","997","1005","10.1039/C9SC04239C","","x-ray","1.54184","CuKα","","0.0932","0.0869","","","0.2128","0.2163","","","","","","1.019","","","","has coordinates,has disorder","257316","2020-10-21","18:00:00",""
"1556536","6.345","0.0002","14.5492","0.0005","16.7909","0.0007","90","","90","","90","","1550.05","0.1","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 N2 O5 Re -","- C15 H13 N2 O5 Re -","- C60 H52 N8 O20 Re4 -","4","1","","Morrison, Christine N.; Prosser, Kathleen E.; Stokes, Ryjul W.; Cordes, Anna; Metzler-Nolte, Nils; Cohen, Seth M.","Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery","Chemical Science","2020","11","5","1216","1225","10.1039/C9SC05586J","","x-ray","0.71073","MoKα","","0.0517","0.0239","","","0.0424","0.0501","","","","","","1","","","","has coordinates,has disorder","257305","2020-10-21","18:00:00",""
"1556537","9.1929","0.0005","13.3161","0.0007","11.3352","0.0006","90","","106.8","0.002","90","","1328.36","0.12","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N2 O5 Re -","- C13 H9 N2 O5 Re -","- C52 H36 N8 O20 Re4 -","4","1","","Morrison, Christine N.; Prosser, Kathleen E.; Stokes, Ryjul W.; Cordes, Anna; Metzler-Nolte, Nils; Cohen, Seth M.","Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery","Chemical Science","2020","11","5","1216","1225","10.1039/C9SC05586J","","x-ray","0.71073","MoKα","","0.0175","0.0145","","","0.0302","0.0309","","","","","","1.068","","","","has coordinates,has disorder","257305","2020-10-21","18:00:00",""
"1556538","8.5304","0.0005","8.156","0.0005","22.7941","0.0015","90","","96.365","0.002","90","","1576.1","0.17","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N O4 Re S -","- C15 H12 N O4 Re S -","- C60 H48 N4 O16 Re4 S4 -","4","1","","Morrison, Christine N.; Prosser, Kathleen E.; Stokes, Ryjul W.; Cordes, Anna; Metzler-Nolte, Nils; Cohen, Seth M.","Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery","Chemical Science","2020","11","5","1216","1225","10.1039/C9SC05586J","","x-ray","0.71073","MoKα","","0.0285","0.0207","","","0.0355","0.0372","","","","","","1.051","","","","has coordinates","257305","2020-10-21","18:00:00",""
"1556539","20.753","0.002","7.0352","0.0008","13.7941","0.0018","90","","105.388","0.007","90","","1941.8","0.4","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20.5 H15 Cl N O5 Re -","- C20.5 H15 Cl N O5 Re -","- C82 H60 Cl4 N4 O20 Re4 -","4","1","","Morrison, Christine N.; Prosser, Kathleen E.; Stokes, Ryjul W.; Cordes, Anna; Metzler-Nolte, Nils; Cohen, Seth M.","Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery","Chemical Science","2020","11","5","1216","1225","10.1039/C9SC05586J","","x-ray","0.71073","MoKα","","0.0535","0.0376","","","0.0759","0.0815","","","","","","1.049","","","","has coordinates,has disorder","257305","2020-10-21","18:00:00",""
"1556540","9.108","0.0005","9.5099","0.0005","9.7673","0.0005","70.669","0.002","80.012","0.002","61.781","0.002","703.28","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N2 O6 Re -","- C13 H11 N2 O6 Re -","- C26 H22 N4 O12 Re2 -","2","1","","Morrison, Christine N.; Prosser, Kathleen E.; Stokes, Ryjul W.; Cordes, Anna; Metzler-Nolte, Nils; Cohen, Seth M.","Expanding medicinal chemistry into 3D space: metallofragments as 3D scaffolds for fragment-based drug discovery","Chemical Science","2020","11","5","1216","1225","10.1039/C9SC05586J","","x-ray","0.71073","MoKα","","0.0233","0.02","","","0.0378","0.0387","","","","","","1.047","","","","has coordinates,has disorder","257305","2020-10-21","18:00:00",""
"1556629","13.5004","0.0007","5.6062","0.0002","15.1666","0.0008","90","","104.738","0.0015","90","","1110.13","0.09","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","7-fluoro-1,3-dimethyl-9H-fluorene","","- C15 H13 F -","- C15 H13 F -","- C60 H52 F4 -","4","1","","Fu, Wai Chung; Kwong, Fuk Yee","A denitrogenative palladium-catalyzed cascade for regioselective synthesis of fluorenes","Chemical Science","2020","11","5","1411","1417","10.1039/C9SC04062E","","","0.71073","MoKα","","0.0605","0.0451","","","0.1128","0.1245","","","","","","1.034","","","","has coordinates","257304","2020-10-21","18:00:00",""
"1556630","11.9227","0.0003","17.3502","0.0004","17.7857","0.0004","90","","90.611","0.001","90","","3678.96","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 Br N5 O5 -","- C40 H50 Br N5 O5 -","- C160 H200 Br4 N20 O20 -","4","1","","Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei","Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites","Chemical Science","2020","11","5","1418","1424","10.1039/C9SC04880D","","","1.54178","CuKα","","0.0897","0.0814","","","0.2343","0.2467","","","","","","1.027","","","","has coordinates","257309","2020-10-21","18:00:00",""
"1556631","10.8554","0.0002","18.2505","0.0002","12.2873","0.0002","90","","105.01","0.001","90","","2351.26","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 Cl N2 O -","- C29 H27 Cl N2 O -","- C116 H108 Cl4 N8 O4 -","4","1","","Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei","Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites","Chemical Science","2020","11","5","1418","1424","10.1039/C9SC04880D","","x-ray","1.54184","CuKα","","0.0555","0.0474","","","0.129","0.1396","","","","","","1.044","","","","has coordinates","257309","2020-10-21","18:00:00",""
"1556632","10.2078","0.0003","19.152","0.0005","18.9514","0.0004","90","","94.804","0.002","90","","3691.98","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H42 Br N3 O -","- C46 H42 Br N3 O -","- C184 H168 Br4 N12 O4 -","4","1","","Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei","Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites","Chemical Science","2020","11","5","1418","1424","10.1039/C9SC04880D","","x-ray","1.54184","CuKα","","0.087","0.0701","","","0.1909","0.2129","","","","","","1.044","","","","has coordinates,has disorder","257309","2020-10-21","18:00:00",""
"1556633","9.0448","0.0004","14.0503","0.0006","18.8685","0.0006","90","","102.053","0.004","90","","2344.99","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 N3 O -","- C28 H29 N3 O -","- C112 H116 N12 O4 -","4","1","","Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei","Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites","Chemical Science","2020","11","5","1418","1424","10.1039/C9SC04880D","","x-ray","1.54184","CuKα","","0.0727","0.0527","","","0.1432","0.1669","","","","","","1.032","","","","has coordinates","257309","2020-10-21","18:00:00",""
"1556634","14.485","0.0005","10.8239","0.0005","16.4134","0.0007","90","","90.869","0.003","90","","2573.07","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H31 Br N2 O -","- C31 H31 Br N2 O -","- C124 H124 Br4 N8 O4 -","4","1","","Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei","Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites","Chemical Science","2020","11","5","1418","1424","10.1039/C9SC04880D","","x-ray","1.54184","CuKα","","0.0603","0.0444","","","0.1123","0.1261","","","","","","1.015","","","","has coordinates","257309","2020-10-21","18:00:00",""
"1556635","11.80408","0.00014","18.74504","0.00018","31.2581","0.0004","90","","79.1361","0.0011","90","","6792.46","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 N5 O5 -","- C39 H39 N5 O5 -","- C312 H312 N40 O40 -","8","2","","Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei","Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites","Chemical Science","2020","11","5","1418","1424","10.1039/C9SC04880D","","x-ray","1.54184","CuKα","","0.0596","0.0516","","","0.14","0.1465","","","","","","1.038","","","","has coordinates","257309","2020-10-21","18:00:00",""
"1556636","13.58053","0.00011","20.7753","0.0002","29.2921","0.0003","90","","102.897","0.0009","90","","8055.96","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H39 Cl2 N3 O -","- C45 H39 Cl2 N3 O -","- C360 H312 Cl16 N24 O8 -","8","2","","Miao, Hong-Jie; Wang, Le-Le; Han, Hua-Bin; Zhao, Yong-De; Wang, Qi-Lin; Bu, Zhan-Wei","Regio- and diastereoselective dearomatizations of N-alkyl activated azaarenes: the maximization of the reactive sites","Chemical Science","2020","11","5","1418","1424","10.1039/C9SC04880D","","x-ray","1.54184","CuKα","","0.1448","0.1225","","","0.3481","0.378","","","","","","1.431","","","","has coordinates,has disorder","257309","2020-10-21","18:00:00",""
"1556642","10.6022","0.0005","10.6218","0.0005","20.1023","0.001","94.418","0.002","99.288","0.002","100.371","0.002","2184.47","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H67 B2 P3 -","- C50 H67 B2 P3 -","- C100 H134 B4 P6 -","2","1","","Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger","Hydrophosphination of boron‒boron multiple bonds","Chemical Science","2020","11","5","1335","1341","10.1039/C9SC05908C","","","0.71073","MoKα","","0.0385","0.0349","","","0.0842","0.0866","","","","","","1.058","","","","has coordinates","257306","2020-10-21","18:00:00",""
"1556643","10.5062","0.0008","17.5469","0.0013","36.649","0.003","90","","90","","90","","6756.3","0.9","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H48 B2 Br P3 -","- C34 H48 B2 Br P3 -","- C272 H384 B16 Br8 P24 -","8","1","","Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger","Hydrophosphination of boron‒boron multiple bonds","Chemical Science","2020","11","5","1335","1341","10.1039/C9SC05908C","","","0.71073","MoKα","","0.0353","0.0294","","","0.0698","0.0727","","","","","","1.057","","","","has coordinates","257306","2020-10-21","18:00:00",""
"1556644","11.8091","0.0005","16.5734","0.0007","17.4767","0.0008","90","","107.828","0.002","90","","3256.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H48 B2 Br P3 -","- C34 H48 B2 Br P3 -","- C136 H192 B8 Br4 P12 -","4","1","","Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger","Hydrophosphination of boron‒boron multiple bonds","Chemical Science","2020","11","5","1335","1341","10.1039/C9SC05908C","","","0.71073","MoKα","","0.0572","0.0391","","","0.1118","0.1289","","","","","","0.9","","","","has coordinates","257306","2020-10-21","18:00:00",""
"1556645","28.3736","0.0016","57.198","0.003","10.0055","0.0005","90","","90","","90","","16238.1","1.5","100","2","100","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C40 H55 B2 Br N2 P2 -","- C40 H55 B2 Br N2 P2 -","- C640 H880 B32 Br16 N32 P32 -","16","1","","Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger","Hydrophosphination of boron‒boron multiple bonds","Chemical Science","2020","11","5","1335","1341","10.1039/C9SC05908C","","","0.71073","MoKα","","0.0483","0.0368","","","0.0701","0.0752","","","","","","0.974","","","","has coordinates","257306","2020-10-21","18:00:00",""
"1556646","11.3635","0.0004","13.09","0.0005","19.2394","0.0006","89.968","0.001","76.353","0.001","70.181","0.001","2606.41","0.16","107","2","107","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H71 B2 N4 P -","- C58 H71 B2 N4 P -","- C116 H142 B4 N8 P2 -","2","1","","Stennett, Tom E.; Jayaraman, Arumugam; Brückner, Tobias; Schneider, Lea; Braunschweig, Holger","Hydrophosphination of boron‒boron multiple bonds","Chemical Science","2020","11","5","1335","1341","10.1039/C9SC05908C","","","0.71073","MoKα","","0.066","0.0521","","","0.1174","0.127","","","","","","1.031","","","","has coordinates","257306","2020-10-21","18:00:00",""
"1556647","16.8585","0.0005","9.6751","0.0003","15.4623","0.0005","90","","111.832","0.001","90","","2341.14","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 B F10 N -","- C26 H18 B F10 N -","- C104 H72 B4 F40 N4 -","4","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.0547","0.045","","","0.0975","0.1024","","","","","","1.099","","","","has coordinates","257325","2020-10-21","18:00:00",""
"1556648","8.3209","0.0003","11.319","0.0005","19.7803","0.0008","99.399","0.001","98.04","0.001","104.051","0.001","1751.34","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H30 B F10 P -","- C44 H30 B F10 P -","- C88 H60 B2 F20 P2 -","2","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","0.71073","MoKα","","0.0677","0.0536","","","0.105","0.1107","","","","","","1.106","","","","has coordinates","257325","2020-10-21","18:00:00",""
"1556649","9.724","0.0003","14.9525","0.0004","16.4897","0.0005","90","","90","","90","","2397.57","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 B F10 N -","- C27 H20 B F10 N -","- C108 H80 B4 F40 N4 -","4","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.0578","0.0457","","","0.0892","0.0946","","","","","","1.06","","","","has coordinates,has disorder","257325","2020-10-21","18:00:00",""
"1556650","11.605","0.0003","20.1373","0.0004","17.8823","0.0004","90","","102.818","0.002","90","","4074.83","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H38 B Cl2 F10 P -","- C46 H38 B Cl2 F10 P -","- C184 H152 B4 Cl8 F40 P4 -","4","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.0694","0.051","","","0.1341","0.1472","","","","","","1.026","","","","has coordinates,has disorder","257325","2020-10-21","18:00:00",""
"1556651","11.1982","0.0012","11.5411","0.0013","16.5533","0.0016","96.789","0.006","96.943","0.007","106.576","0.007","2009","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H38 B Cl2 F10 P -","- C46 H38 B Cl2 F10 P -","- C92 H76 B2 Cl4 F20 P2 -","2","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.097","0.0599","","","0.1448","0.1685","","","","","","1.09","","","","has coordinates","257325","2020-10-21","18:00:00",""
"1556652","12.2953","0.0003","14.3056","0.0003","20.8746","0.0005","90","","100.3","0.001","90","","3612.5","0.15","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H28 B F10 P -","- C39 H28 B F10 P -","- C156 H112 B4 F40 P4 -","4","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.0414","0.0359","","","0.0876","0.0909","","","","","","1.022","","","","has coordinates","257325","2020-10-21","18:00:00",""
"1556653","6.4255","0.0004","17.461","0.001","21.2763","0.0013","90","","95.037","0.004","90","","2377.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 B F10 -","- C27 H21 B F10 -","- C108 H84 B4 F40 -","4","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.0544","0.0402","","","0.0943","0.1007","","","","","","1.056","","","","has coordinates","257325","2020-10-21","18:00:00",""
"1556654","12.4783","0.0005","15.7635","0.0006","20.7617","0.0007","102.312","0.002","93.184","0.002","112.263","0.002","3650.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 B F10 P -","- C40 H30 B F10 P -","- C160 H120 B4 F40 P4 -","4","2","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.0697","0.0475","","","0.1127","0.1227","","","","","","1.035","","","","has coordinates,has disorder","257325","2020-10-21","18:00:00",""
"1556655","9.0564","0.001","10.3497","0.0009","21.915","0.002","91.873","0.006","96.63","0.007","96.996","0.006","2022.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H24 B2 F20 N2 -","- C43 H24 B2 F20 N2 -","- C86 H48 B4 F40 N4 -","2","1","","Tao, Xin; Škoch, Karel; Daniliuc, Constantin G.; Kehr, Gerald; Erker, Gerhard","Borane-induced ring closure reaction of oligomethylene-linked bis-allenes","Chemical Science","2020","11","6","1542","1548","10.1039/C9SC03870A","","","1.54178","CuKα","","0.114","0.0597","","","0.14","0.1703","","","","","","1.021","","","","has coordinates","257325","2020-10-21","18:00:00",""
"1556673","19.7106","0.0002","9.9489","0.0001","22.7748","0.0002","90","","99.808","0.001","90","","4400.83","0.07","123","2","123","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[(DPFN)Cu2(MeCP)](NTf2)2","","","- C36 H23 Cu2 F14 N8 O8 P S4 -","- C36 H23 Cu2 F14 N8 O8 P S4 -","- C144 H92 Cu8 F56 N32 O32 P4 S16 -","4","1","","Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don","Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex.","Chemical science","2020","11","6","1607","1616","10.1039/c9sc05835d","","","1.39222","CuKβ","","0.0369","0.0327","","","0.1036","0.113","","","","","","0.618","","","","has coordinates","250234","2020-10-21","18:00:00",""
"1556674","12.5211","0.0004","14.8116","0.0005","15.6245","0.0005","76.518","0.002","67.701","0.002","76.651","0.002","2574.23","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","mszxr090","","","- C42 H34 Cu2 F14 N8 O9 S4 -","- C42 H34 Cu2 F14 N8 O9 S4 -","- C84 H68 Cu4 F28 N16 O18 S8 -","2","1","","Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don","Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex.","Chemical science","2020","11","6","1607","1616","10.1039/c9sc05835d","","","0.71073","MoKα","","0.0443","0.0346","","","0.0766","0.0818","","","","","","1.057","","","","has coordinates","250234","2020-10-21","18:00:00",""
"1556675","12.4499","0.0007","12.637","0.0006","18.5946","0.0009","89.354","0.002","84.84","0.002","72.243","0.002","2774.4","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","[(DPFN)Cu2tBuCP](NTf2)2","","","- C43 H39 Cu2 F14 N8 O9 P S4 -","- C43 H39 Cu2 F14 N8 O9 P S4 -","- C86 H78 Cu4 F28 N16 O18 P2 S8 -","2","1","","Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don","Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex.","Chemical science","2020","11","6","1607","1616","10.1039/c9sc05835d","","","0.7288","synchrotron","","0.1446","0.1273","","","0.395","0.4173","","","","","","1.888","","","","has coordinates,has disorder","250234","2020-10-21","18:00:00",""
"1556676","10.918","0.0004","20.4455","0.0007","23.1939","0.0008","90","","90","","90","","5177.4","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[(DPFN)Cu2AdCN](NTf2)2","","","- C45 H35 Cu2 F14 N9 O8 S4 -","- C45 H35 Cu2 F14 N9 O8 S4 -","- C180 H140 Cu8 F56 N36 O32 S16 -","4","1","","Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don","Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex.","Chemical science","2020","11","6","1607","1616","10.1039/c9sc05835d","","","0.7288","synchrotron","","0.0538","0.0503","","","0.1329","0.1374","","","","","","1.058","","","","has coordinates","250234","2020-10-21","18:00:00",""
"1556677","18.6915","0.0008","16.5896","0.0007","18.8035","0.0009","90","","96.346","0.002","90","","5794.9","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[(DPFN)Cu2PCAd](NTf2)2","","","- C45 H35 Cu2 F14 N8 O8 P S4 -","- C45 H35 Cu2 F14 N8 O8 P S4 -","- C180 H140 Cu8 F56 N32 O32 P4 S16 -","4","1","","Nicolay, Amélie; Ziegler, Micah S.; Small, David W.; Grünbauer, Rebecca; Scheer, Manfred; Tilley, T. Don","Isomerism and dynamic behavior of bridging phosphaalkynes bound to a dicopper complex.","Chemical science","2020","11","6","1607","1616","10.1039/c9sc05835d","","","0.7288","synchrotron","","0.0853","0.0748","","","0.2019","0.2109","","","","","","1.028","","","","has coordinates,has disorder","250234","2020-10-21","18:00:00",""
"1556703","22.2613","0.001","26.916","0.0012","28.2117","0.001","83.387","0.003","73.393","0.003","69.33","0.004","15154.3","1.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C65.25 N4 O8 S2 -","- C65.25 N4 O8 S2 -","- C522 N32 O64 S16 -","8","4","","Su, Feng; Chen, Shuqi; Mo, Xiaogang; Wu, Kongchuan; Wu, Jiajun; Lin, Weidong; Lin, Zhiwei; Lin, Jianbin; Zhang, Hui-Jun; Wen, Ting-Bin","Trisulfur radical anion-triggered stitching thienannulation: rapid access to largely π-extended thienoacenes","Chemical Science","2020","11","6","1503","1509","10.1039/C9SC05332H","","","1.54184","CuKα","","0.2897","0.2079","","","0.456","0.4898","","","","","","1.216","","","","has coordinates","257322","2020-10-21","18:00:00",""
"1556704","22.0328","0.001","21.2168","0.0007","33.589","0.003","90","","102.198","0.005","90","","15347.2","1.6","100","0.11","100","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 N4 O8 S3 -","- C37 N4 O8 S3 -","- C148 N16 O32 S12 -","4","2","","Su, Feng; Chen, Shuqi; Mo, Xiaogang; Wu, Kongchuan; Wu, Jiajun; Lin, Weidong; Lin, Zhiwei; Lin, Jianbin; Zhang, Hui-Jun; Wen, Ting-Bin","Trisulfur radical anion-triggered stitching thienannulation: rapid access to largely π-extended thienoacenes","Chemical Science","2020","11","6","1503","1509","10.1039/C9SC05332H","","x-ray","1.54184","CuKα","","0.2265","0.1541","","","0.3571","0.407","","","","","","1.025","","","","has coordinates","257322","2020-10-21","18:00:00",""
"1556719","7.2702","0.0008","8.7819","0.0009","13.6782","0.0008","98.564","0.007","100.026","0.007","104.633","0.01","814.84","0.14","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 N O S -","- C21 H19 N O S -","- C42 H38 N2 O2 S2 -","2","1","","Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.","Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones","Chemical Science","2020","11","5","1353","1360","10.1039/C9SC05311E","","x-ray","1.54184","CuKα","","0.0559","0.0436","","","0.1046","0.1158","","","","","","1.032","","","","has coordinates,has disorder","257308","2020-10-21","18:00:00",""
"1556720","11.42288","0.00017","8.41061","0.00012","28.0872","0.0003","90","","100.454","0.0013","90","","2653.64","0.06","110","0.1","110","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N O -","- C18 H13 N O -","- C144 H104 N8 O8 -","8","2","","Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.","Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones","Chemical Science","2020","11","5","1353","1360","10.1039/C9SC05311E","","x-ray","1.54184","CuKα","","0.0404","0.0337","","","0.0811","0.0858","","","","","","1.057","","","","has coordinates","257308","2020-10-21","18:00:00",""
"1556721","5.81156","0.00011","17.547","0.0003","18.1227","0.0003","90","","90","","90","","1848.07","0.06","110","0.1","110","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H19 N O S -","- C24 H19 N O S -","- C96 H76 N4 O4 S4 -","4","1","","Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.","Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones","Chemical Science","2020","11","5","1353","1360","10.1039/C9SC05311E","","x-ray","1.54184","CuKα","","0.0285","0.0273","","","0.0676","0.0684","","","","","","1.046","","","","has coordinates","257308","2020-10-21","18:00:00",""
"1556722","7.4225","0.00012","9.90594","0.00016","19.5109","0.0003","90","","90","","90","","1434.57","0.04","110","0.1","110","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.","Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones","Chemical Science","2020","11","5","1353","1360","10.1039/C9SC05311E","","x-ray","1.54184","CuKα","","0.0257","0.0243","","","0.0605","0.0619","","","","","","1.099","","","","has coordinates","257308","2020-10-21","18:00:00",""
"1556723","8.7543","0.0005","9.971","0.0006","11.6327","0.0006","81.846","0.004","74.281","0.005","81.076","0.005","960.27","0.1","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 N O S -","- C25 H21 N O S -","- C50 H42 N2 O2 S2 -","2","1","","Ho, Hon Eong; Pagano, Angela; Rossi-Ashton, James A.; Donald, James R.; Epton, Ryan G.; Churchill, Jonathan C.; James, Michael J.; O'Brien, Peter; Taylor, Richard J. K.; Unsworth, William P.","Visible-light-induced intramolecular charge transfer in the radical spirocyclisation of indole-tethered ynones","Chemical Science","2020","11","5","1353","1360","10.1039/C9SC05311E","","x-ray","1.54184","CuKα","","0.0334","0.0318","","","0.0796","0.0808","","","","","","1.052","","","","has coordinates","257308","2020-10-21","18:00:00",""
"1556844","9.6381","0.0005","11.485","0.0006","19.0369","0.0009","85.238","0.004","75.946","0.004","75.838","0.005","1981.44","0.18","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H57 B N2 O2 -","- C45 H57 B N2 O2 -","- C90 H114 B2 N4 O4 -","2","1","","Bhunia, Mrinal; Sahoo, Sumeet Ranjan; Das, Arpan; Ahmed, Jasimuddin; P., Sreejyothi; Mandal, Swadhin K.","Transition metal-free catalytic reduction of primary amides using an abnormal NHC based potassium complex: integrating nucleophilicity with Lewis acidic activation","Chemical Science","2020","11","7","1848","1854","10.1039/C9SC05953A","","x-ray","1.54184","CuKα","","0.0626","0.0484","","","0.1208","0.1314","","","","","","1.019","","","","has coordinates","257362","2020-10-21","18:00:00",""
"1556845","21.515","0.0017","24.1156","0.0017","35.321","0.003","81.037","0.004","78.006","0.004","68.595","0.004","16625","2","170","","170","","","","","","","","","10","P -1","-P 1","2","","","","- C244 H327 Ag31 Cl5 F24 O2 P6 Pt S16 Sb4 -","- C244 H327 Ag31 Cl5 F24 O2 P6 Pt S16 Sb4 -","- C488 H654 Ag62 Cl10 F48 O4 P12 Pt2 S32 Sb8 -","2","1","","Kang, Xi; Jin, Shan; Xiong, Lin; Wei, Xiao; Zhou, Manman; Qin, Chenwanli; Pei, Yong; Wang, Shuxin; Zhu, Manzhou","Nanocluster growth <i>via</i> ""graft-onto"": effects on geometric structures and optical properties.","Chemical science","2020","11","6","1691","1697","10.1039/c9sc05700e","","","0.71073","MoKα","","0.1297","0.0746","","","0.1872","0.2093","","","","","","1.061","","","","has coordinates","250235","2020-10-21","18:00:00",""
"1556846","5.6044","0.0001","9.5819","0.0002","26.472","0.0005","90","","90","","90","","1421.57","0.05","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H13 F9 O2 -","- C11 H13 F9 O2 -","- C44 H52 F36 O8 -","4","1","","Sperandio, Céline; Rodriguez, Jean; Quintard, Adrien","Development of copper-catalyzed enantioselective decarboxylative aldolization for the preparation of perfluorinated 1,3,5-triols featuring supramolecular recognition properties.","Chemical science","2020","11","6","1629","1635","10.1039/c9sc05196a","","x-ray","1.54184","CuKα","","0.0508","0.0493","","","0.1393","0.1416","","","","","","1.064","","","","has coordinates","250229","2020-10-21","18:00:00",""
"1556847","4.9029","0.0001","9.8824","0.0002","10.7838","0.0003","90","","100.543","0.003","90","","513.68","0.02","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C7 H10 F6 O3 -","- C7 H10 F6 O3 -","- C14 H20 F12 O6 -","2","1","","Sperandio, Céline; Rodriguez, Jean; Quintard, Adrien","Development of copper-catalyzed enantioselective decarboxylative aldolization for the preparation of perfluorinated 1,3,5-triols featuring supramolecular recognition properties.","Chemical science","2020","11","6","1629","1635","10.1039/c9sc05196a","","x-ray","1.54184","CuKα","","0.0327","0.0323","","","0.0892","0.0897","","","","","","1.08","","","","has coordinates","250229","2020-10-21","18:00:00",""
"1556849","11.7327","0.0012","9.6358","0.0009","13.0361","0.0013","90","","90","","90","","1473.8","0.3","273","2","273","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16 H6 F6 N2 O2 -","- C16 H6 F6 N2 O2 -","- C64 H24 F24 N8 O8 -","4","0.5","","Liu, Jingfeng; Meng, Qingjie; Li, Liying; Lu, Gewu; Yuan, Hang; Cui, Lei; Liu, Xia; Mu, Hongliang; Ji, Jingjing; Zhou, Defeng; Wang, Zhen; Yan, Jingling","A high-performance polycyanurate network derived from 4,4′-biscyanato-2,2′-trifluoromethylbiphenyl","Polymer Chemistry","2020","11","4","784","788","10.1039/C9PY01610D","","","0.71073","MoKα","","0.0526","0.0425","","","0.1028","0.1105","","","","","","1.04","","","","has coordinates","257936","2020-10-21","18:00:00",""
"1556860","19.2423","0.0008","10.9261","0.0005","21.5899","0.001","90","","106.046","0.002","90","","4362.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H44 Cl F5 N4 Ni -","- C45 H44 Cl F5 N4 Ni -","- C180 H176 Cl4 F20 N16 Ni4 -","4","1","","Dong, Yuyang; Lukens, James T.; Clarke, Ryan M.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Synthesis, characterization and C‒H amination reactivity of nickel iminyl complexes","Chemical Science","2020","11","5","1260","1268","10.1039/C9SC04879K","","","1.54178","CuKα","","0.0526","0.0443","","","0.1209","0.1273","","","","","","1.031","","","","has coordinates","257307","2020-10-21","18:00:00",""
"1556861","12.0799","0.0004","14.6404","0.0005","24.1769","0.001","90","","91.408","0.002","90","","4274.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H50 F5 N3 Ni -","- C45 H50 F5 N3 Ni -","- C180 H200 F20 N12 Ni4 -","4","1","","Dong, Yuyang; Lukens, James T.; Clarke, Ryan M.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Synthesis, characterization and C‒H amination reactivity of nickel iminyl complexes","Chemical Science","2020","11","5","1260","1268","10.1039/C9SC04879K","","","1.54178","CuKα","","0.0595","0.0392","","","0.089","0.0961","","","","","","1.032","","","","has coordinates","257307","2020-10-21","18:00:00",""
"1556862","9.5949","0.0007","11.8426","0.001","18.3253","0.0014","92.953","0.003","104.293","0.002","100.626","0.002","1972.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H45 F5 N3 Ni -","- C44 H45 F5 N3 Ni -","- C88 H90 F10 N6 Ni2 -","2","1","","Dong, Yuyang; Lukens, James T.; Clarke, Ryan M.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Synthesis, characterization and C‒H amination reactivity of nickel iminyl complexes","Chemical Science","2020","11","5","1260","1268","10.1039/C9SC04879K","","","0.71073","MoKα","","0.0722","0.0517","","","0.1334","0.1477","","","","","","1.044","","","","has coordinates","257307","2020-10-21","18:00:00",""
"1556863","14.1294","0.0009","16.6197","0.0008","15.8282","0.0008","90","","90","","90","","3716.9","0.4","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C45 H49 F5 N3 Ni -","- C45 H49 F5 N3 Ni -","- C180 H196 F20 N12 Ni4 -","4","1","","Dong, Yuyang; Lukens, James T.; Clarke, Ryan M.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Synthesis, characterization and C‒H amination reactivity of nickel iminyl complexes","Chemical Science","2020","11","5","1260","1268","10.1039/C9SC04879K","","","1.54178","CuKα","","0.1623","0.0792","","","0.18","0.2265","","","","","","1.037","","","","has coordinates,has disorder","257307","2020-10-21","18:00:00",""
"1556864","17.7017","0.0003","15.1269","0.0002","13.141","0.0002","90","","109.571","0.002","90","","3315.5","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H39 F5 N3 Ni -","- C40 H39 F5 N3 Ni -","- C160 H156 F20 N12 Ni4 -","4","1","","Dong, Yuyang; Lukens, James T.; Clarke, Ryan M.; Zheng, Shao-Liang; Lancaster, Kyle M.; Betley, Theodore A.","Synthesis, characterization and C‒H amination reactivity of nickel iminyl complexes","Chemical Science","2020","11","5","1260","1268","10.1039/C9SC04879K","","","1.54178","CuKα","","0.0558","0.0444","","","0.1174","0.1266","","","","","","1.036","","","","has coordinates","257307","2020-10-21","18:00:00",""
"1556865","8.2007","0.0005","7.7793","0.0005","24.6164","0.0018","90","","90","","90","","1570.42","0.18","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H8 I2 N2 O7 -","- C12 H8 I2 N2 O7 -","- C48 H32 I8 N8 O28 -","4","1","","Zhang, Guangtao; Wang, Yuanxun; Xu, Jun; Sun, Jiyun; Sun, Fengxia; Zhang, Yilin; Zhang, Chenglin; Du, Yunfei","A new hypervalent iodine(iii/v) oxidant and its application to the synthesis of 2H-azirines","Chemical Science","2020","11","4","947","953","10.1039/C9SC05536C","","x-ray","1.54184","CuKα","","0.0662","0.0533","","","0.1252","0.1323","","","","","","1.098","","","","has coordinates","257317","2020-10-21","18:00:00",""
"1556866","9.035","0.0004","12.0924","0.0006","14.7514","0.0007","92.899","0.002","103.022","0.002","103.134","0.002","1520.32","0.13","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H50 B2 -","- C36 H50 B2 -","- C72 H100 B4 -","2","1","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.0857","0.0708","","","0.1918","0.209","","","","","","1.224","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1556867","10.6036","0.0003","17.5824","0.0005","17.446","0.0005","90","","125.621","0.001","90","","2643.98","0.13","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TMB + diphenylketene","","","- C32 H35 B O -","- C32 H35 B O -","- C128 H140 B4 O4 -","4","1","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.066","0.0561","","","0.1369","0.1426","","","","","","1.075","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1556868","10.0358","0.0004","12.1076","0.0006","43.226","0.002","90","","90","","90","","5252.4","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H31 B O -","- C34 H31 B O -","- C272 H248 B8 O8 -","8","1","","Su, Xiaojun; Baker, J. J.; Martin, Caleb D.","Dimeric boroles: effective sources of monomeric boroles for heterocycle synthesis.","Chemical science","2020","11","1","126","131","10.1039/c9sc04053f","","","0.71073","MoKα","","0.0605","0.0542","","","0.1396","0.1484","","","","","","1.19","","","","has coordinates","248865","2020-10-21","18:00:00",""
"1556869","11.5545","0.001","17.3432","0.0016","25.028","0.002","90","","95.757","0.002","90","","4990.1","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H60 Cl2 N4 O2 Ru -","- C60 H58 N4 O2 Ru -","- C240 H232 N16 O8 Ru4 -","4","1","","Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming","Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity.","Chemical science","2020","11","8","2243","2259","10.1039/c9sc05432d","","","0.71073","MoKα","","0.071","0.049","","","0.0905","0.0977","","","","","","1.061","","","","has coordinates","250219","2020-10-21","18:00:00",""
"1556870","11.0536","0.0007","11.1353","0.0007","11.8926","0.0007","97.46","0.003","108.927","0.004","107.647","0.003","1276.53","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H52 F4 N4 Os -","- C64 H52 F4 N4 Os -","- C64 H52 F4 N4 Os -","1","0.5","","Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming","Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity.","Chemical science","2020","11","8","2243","2259","10.1039/c9sc05432d","","","1.34138","GaKα","","0.0567","0.0517","","","0.127","0.1315","","","","","","1.107","","","","has coordinates,has disorder","250219","2020-10-21","18:00:00",""
"1556871","10.5317","0.0015","14.347","0.002","17.434","0.003","76.71","0.005","80.147","0.004","84.826","0.004","2522.3","0.7","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C59 H27 F20 Fe N5 -","- C59 H27 F20 Fe N5 -","- C118 H54 F40 Fe2 N10 -","2","2","","Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming","Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity.","Chemical science","2020","11","8","2243","2259","10.1039/c9sc05432d","","","1.34138","GaKα","","0.1307","0.0898","","","0.2437","0.2779","","","","","","1.082","","","","has coordinates,has disorder","250219","2020-10-21","18:00:00",""
"1556872","11.3588","0.0011","13.5043","0.0014","16.5422","0.0015","85.786","0.003","84.24","0.003","70.986","0.003","2384.6","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H50 Cl3 D Fe N4 -","- C58 H50 Fe N4 -","- C116 H100 Fe2 N8 -","2","1","","Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming","Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity.","Chemical science","2020","11","8","2243","2259","10.1039/c9sc05432d","","","0.71073","MoKα","","0.0904","0.0588","","","0.1175","0.1308","","","","","","1.029","","","","has coordinates","250219","2020-10-21","18:00:00",""
"1556873","24.815","0.006","20.891","0.005","24.043","0.005","90","","100.174","0.007","90","","12268","5","149","2","149","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65.5 H39.5 F20 N8 Ru -","- C64 H36 F20 N8 Ru -","- C512 H288 F160 N64 Ru8 -","8","1","","Wang, Hai-Xu; Wan, Qingyun; Low, Kam-Hung; Zhou, Cong-Ying; Huang, Jie-Sheng; Zhang, Jun-Long; Che, Chi-Ming","Stable group 8 metal porphyrin mono- and bis(dialkylcarbene) complexes: synthesis, characterization, and catalytic activity.","Chemical science","2020","11","8","2243","2259","10.1039/c9sc05432d","","","1.34138","GaKα","","0.1462","0.1093","","","0.2887","0.3252","","","","","","1.194","","","","has coordinates","250219","2020-10-21","18:00:00",""
"1556874","21.313","0.006","9.951","0.003","24.687","0.006","90","","107.778","0.011","90","","4986","2","100","2","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 Cu F12 N6 O2 P2 -","- C48 H54 Cu F12 N6 O2 P2 -","- C192 H216 Cu4 F48 N24 O8 P8 -","4","1","","Ryan, Michael C.; Kim, Yeon Jung; Gerken, James B.; Wang, Fei; Aristov, Michael M.; Martinelli, Joseph R.; Stahl, Shannon S.","Mechanistic insights into copper-catalyzed aerobic oxidative coupling of N‒N bonds","Chemical Science","2020","11","4","1170","1175","10.1039/C9SC04305E","","x-ray","0.71073","MoKα","","0.0327","0.0275","","","0.0698","0.0725","","","","","","1.035","","","","has coordinates,has disorder","257312","2020-10-21","18:00:00",""
"1556875","33.357","0.0002","32.3478","0.0003","45.8124","0.0003","90","","102.32","0.001","90","","48294.4","0.6","100","2","100","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C311.2 H387.9 B90.2 F18 Fe4 N55.5 O36 S6 -","- C303 H387.9 B98.4 F18 Fe4 N55.5 O36 S6 -","- C1212 H1551.6 B393.6 F72 Fe16 N222 O144 S24 -","4","1","","Lu, Zhenpin; Ronson, Tanya K.; Nitschke, Jonathan R.","Reversible reduction drives anion ejection and C60 binding within an FeII4L6 cage","Chemical Science","2020","11","4","1097","1101","10.1039/C9SC05728E","","","0.6889","Synchrotron","","0.1256","0.103","","","0.2631","0.2822","","","","","","1.027","","","","has coordinates,has disorder","257314","2020-10-21","18:00:00",""
"1556876","7.7711","0.0003","10.3961","0.0004","12.6341","0.0005","113.062","0.002","96.284","0.002","98.114","0.002","914.39","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H42 N2 S8 Sn2 -","- C26 H42 N2 S8 Sn2 -","- C26 H42 N2 S8 Sn2 -","1","0.5","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","x-ray","0.71073","MoKα","","0.0343","0.0271","","","0.0569","0.059","","","","","","1.081","","","","has coordinates","257313","2020-10-21","18:00:00",""
"1556877","12.734","0.002","31.568","0.005","18.543","0.003","90","","107.358","0.003","90","","7115","2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C120 H88 B2 F48 Fe2 O2 S8 Sn2 -","- C120 H88 B2 F48 Fe2 O2 S8 Sn2 -","- C240 H176 B4 F96 Fe4 O4 S16 Sn4 -","2","0.5","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","x-ray","0.41328","synchrotron","","0.1035","0.0678","","","0.1719","0.1966","","","","","","1.028","","","","has coordinates,has disorder","257313","2020-10-21","18:00:00",""
"1556878","9.5804","0.0015","23.505","0.004","30.294","0.005","90","","97.92","0.004","90","","6756.8","1.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C57 H53.5 B F24 N0.5 O0.5 S8 Sn2 -","- C57 H53.5 B F24 N0.5 O0.5 S8 Sn2 -","- C228 H214 B4 F96 N2 O2 S32 Sn8 -","4","1","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","x-ray","0.71073","MoKα","","0.1244","0.082","","","0.1755","0.1992","","","","","","1.065","","","","has coordinates,has disorder","257313","2020-10-21","18:00:00",""
"1556879","40.752","0.003","18.985","0.0012","17.7197","0.0011","90","","107.903","0.002","90","","13045.5","1.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C122 H72 B2 F48 Ni2 P4 S8 -","- C122 H72 B2 F48 Ni2 P4 S8 -","- C488 H288 B8 F192 Ni8 P16 S32 -","4","0.5","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","","0.71073","MoKα","","0.0617","0.042","","","0.0906","0.0987","","","","","","1.013","","","","has coordinates,has disorder","257313","2020-10-21","18:00:00",""
"1556880","14.1624","0.0015","18.3974","0.0019","20.189","0.002","94.073","0.002","103.397","0.002","106.515","0.002","4852.9","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C90 H60 B F24 Ni2 P4 S8 -","- C90 H60 B F24 Ni2 P4 S8 -","- C180 H120 B2 F48 Ni4 P8 S16 -","2","1","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","x-ray","0.41328","synchrotron","","0.0416","0.0352","","","0.091","0.0963","","","","","","1.047","","","","has coordinates,has disorder","257313","2020-10-21","18:00:00",""
"1556881","12.9111","0.0017","15.863","0.002","16.368","0.002","88.537","0.003","88.979","0.003","69.195","0.003","3132.6","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C102 H92 B2 F48 O4 S8 Sn2 -","- C102 H92 B2 F48 O4 S8 Sn2 -","- C102 H92 B2 F48 O4 S8 Sn2 -","1","0.5","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","","0.71073","MoKα","","0.1437","0.0977","","","0.2003","0.2241","","","","","","1.087","","","","has coordinates,has disorder","257313","2020-10-21","18:00:00",""
"1556882","13.503","0.003","19.054","0.004","28.239","0.006","105.082","0.005","91.975","0.004","90.73","0.005","7009","3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C106 H68 B F24 Fe2 P4 Pd2 S8 -","- C106 H68 B F24 Fe2 P4 Pd2 S8 -","- C212 H136 B2 F48 Fe4 P8 Pd4 S16 -","2","1","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","","0.71073","MoKα","","0.1467","0.0914","","","0.1827","0.2038","","","","","","1.07","","","","has coordinates,has disorder","257313","2020-10-21","18:00:00",""
"1556883","29.421","0.004","31.324","0.005","35.123","0.005","92.011","0.003","91.984","0.003","99.304","0.003","31897","8","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C540 H360 B6 F144 P24 Pd12 S48 -","- C540 H360 B6 F144 P24 Pd12 S48 -","- C1080 H720 B12 F288 P48 Pd24 S96 -","2","1","","Xie, Jiaze; Boyn, Jan-Niklas; Filatov, Alexander S.; McNeece, Andrew J.; Mazziotti, David A.; Anderson, John S.","Redox, transmetalation, and stacking properties of tetrathiafulvalene-2,3,6,7-tetrathiolate bridged tin, nickel, and palladium compounds","Chemical Science","2020","11","4","1066","1078","10.1039/C9SC04381K","","","0.71073","MoKα","","0.2699","0.177","","","0.3523","0.3959","","","","","","1.204","","","","has coordinates,has disorder","257313","2020-10-21","18:00:00",""
"1556884","8.20579","0.00016","29.4208","0.0008","16.5731","0.0003","90","","93.223","0.002","90","","3994.76","0.15","180","0.1","180","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H36 F6 N3 O3 P -","- C40 H36 F6 N3 O3 P -","- C160 H144 F24 N12 O12 P4 -","4","2","","Duwald, Romain; Bosson, Johann; Pascal, Simon; Grass, Stéphane; Zinna, Francesco; Besnard, Céline; Di Bari, Lorenzo; Jacquemin, Denis; Lacour, Jérôme","Merging polyacenes and cationic helicenes: from weak to intense chiroptical properties in the far red region","Chemical Science","2020","11","4","1165","1169","10.1039/C9SC05407C","","x-ray","1.54184","CuKα","","0.0903","0.0679","","","0.1859","0.2124","","","","","","1.01","","","","has coordinates,has disorder","257315","2020-10-21","18:00:00",""
"1556885","27.6234","0.0011","16.7146","0.0005","21.7661","0.0009","90","","106.545","0.004","90","","9633.6","0.7","180","0.1","180","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C61 H46 F6 N5 O2 P -","- C61 H46 F6 N5 O2 P -","- C488 H368 F48 N40 O16 P8 -","8","1","","Duwald, Romain; Bosson, Johann; Pascal, Simon; Grass, Stéphane; Zinna, Francesco; Besnard, Céline; Di Bari, Lorenzo; Jacquemin, Denis; Lacour, Jérôme","Merging polyacenes and cationic helicenes: from weak to intense chiroptical properties in the far red region","Chemical Science","2020","11","4","1165","1169","10.1039/C9SC05407C","","x-ray","1.54184","CuKα","","0.0921","0.0542","","","0.1332","0.1556","","","","","","1.023","","","","has coordinates,has disorder","257315","2020-10-21","18:00:00",""
"1556886","11.678","0.0004","12.9347","0.0005","27.785","0.009","90","","90.912","0.008","90","","4196.4","1.4","180.01","0.1","180.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C95 H78 Cl6 F12 N6 O2 P2 -","- C95 H78 Cl6 F12 N6 O2 P2 -","- C190 H156 Cl12 F24 N12 O4 P4 -","2","0.5","","Duwald, Romain; Bosson, Johann; Pascal, Simon; Grass, Stéphane; Zinna, Francesco; Besnard, Céline; Di Bari, Lorenzo; Jacquemin, Denis; Lacour, Jérôme","Merging polyacenes and cationic helicenes: from weak to intense chiroptical properties in the far red region","Chemical Science","2020","11","4","1165","1169","10.1039/C9SC05407C","","x-ray","1.54184","CuKα","","0.0822","0.067","","","0.1913","0.2057","","","","","","1.04","","","","has coordinates,has disorder","257315","2020-10-21","18:00:00",""
"1556900","26.7934","0.0005","12.4321","0.0003","39.1414","0.0007","90","","106.494","0.002","90","","12501.4","0.5","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C62 H79 Cl2 N5 O6 Pt S -","- C62 H79 Cl2 N5 O6 Pt S -","- C496 H632 Cl16 N40 O48 Pt8 S8 -","8","1","","Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.","Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour","Chemical Science","2020","11","7","1839","1847","10.1039/C9SC05507J","","x-ray","1.54178","CuKα","K-L~3~","0.0398","0.0371","","","0.0997","0.1021","","","","","","1.04","","","","has coordinates,has disorder","257361","2020-10-21","18:00:00",""
"1556901","10.1982","0.0005","18.2063","0.0007","19.7708","0.0008","105.665","0.004","99.693","0.004","96.105","0.004","3439.2","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C67 H79 B2 F8 N7 O6 Pt -","- C67 H79 B2 F8 N7 O6 Pt -","- C134 H158 B4 F16 N14 O12 Pt2 -","2","1","","Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.","Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour","Chemical Science","2020","11","7","1839","1847","10.1039/C9SC05507J","","x-ray","0.71075","MoKα","K-L~3~","0.1196","0.0732","","","0.1605","0.1855","","","","","","1.013","","","","has coordinates","257361","2020-10-21","18:00:00",""
"1556902","11.78747","0.00013","15.5279","0.0002","22.4447","0.0003","101.252","0.0011","102.144","0.001","103.723","0.001","3769.49","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C65 H76 F6 N6 O6 Pt Sb -","- C65 H76 F6 N6 O6 Pt Sb -","- C130 H152 F12 N12 O12 Pt2 Sb2 -","2","1","","Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.","Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour","Chemical Science","2020","11","7","1839","1847","10.1039/C9SC05507J","","x-ray","0.71073","MoKα","","0.0443","0.041","","","0.1157","0.1182","","","","","","1.053","","","","has coordinates,has disorder","257361","2020-10-21","18:00:00",""
"1556903","21.738","0.0004","14.9289","0.0003","21.8888","0.0005","90","","107.531","0.002","90","","6773.5","0.3","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C66 H77 B F4 N8 O5 Pt -","- C65 H75 B F4 N6 O5 Pt -","- C260 H300 B4 F16 N24 O20 Pt4 -","4","1","","Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.","Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour","Chemical Science","2020","11","7","1839","1847","10.1039/C9SC05507J","","x-ray","0.71073","MoKα","","0.0412","0.0306","","","0.1057","0.1134","","","","","","0.866","","","","has coordinates,has disorder","257361","2020-10-21","18:00:00",""
"1556904","18.7462","0.0004","15.4022","0.0003","27.6759","0.0005","90","","104.791","0.002","90","","7726.1","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C69 H85 Ag F12 N6 O6 Pt Sb2 -","- C69 H85 Ag F12 N6 O6 Pt Sb2 -","- C276 H340 Ag4 F48 N24 O24 Pt4 Sb8 -","4","1","","Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.","Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour","Chemical Science","2020","11","7","1839","1847","10.1039/C9SC05507J","","x-ray","1.54178","CuKα","","0.0984","0.0676","","","0.1755","0.1971","","","","","","1.039","","","","has coordinates,has disorder","257361","2020-10-21","18:00:00",""
"1556905","12.2375","0.0001","14.6363","0.0002","18.2789","0.0002","81.118","0.001","76.017","0.001","74.098","0.001","3041.7","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H72 B F4 N5 O5 Pt -","- C60 H72 B F4 N5 O5 Pt -","- C120 H144 B2 F8 N10 O10 Pt2 -","2","1","","Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.","Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour","Chemical Science","2020","11","7","1839","1847","10.1039/C9SC05507J","","x-ray","0.71075","MoKα","K-L~3~","0.0267","0.0239","","","0.0567","0.0577","","","","","","1.042","","","","has coordinates,has disorder","257361","2020-10-21","18:00:00",""
"1556906","13.0371","0.0005","18.3984","0.0008","18.4639","0.0008","88.81","0.003","89.789","0.003","83.438","0.003","4398.8","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C67 H77 Ag F15 N7 O5 Pt Sb2.5 -","- C67 H77 Ag F15 N7 O5 Pt Sb2.5 -","- C134 H154 Ag2 F30 N14 O10 Pt2 Sb5 -","2","1","","Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.","Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour","Chemical Science","2020","11","7","1839","1847","10.1039/C9SC05507J","","x-ray","0.71073","MoKα","","0.0804","0.0651","","","0.1632","0.1722","","","","","","1.04","","","","has coordinates,has disorder","257361","2020-10-21","18:00:00",""
"1556907","30.4605","0.0006","11.6596","0.0002","6.1159","0.0001","90","","90","","90","","2172.11","0.07","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C23 H24 N2 O5 S -","- C23 H24 N2 O5 S -","- C92 H96 N8 O20 S4 -","4","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0386","0.0362","","","0.0887","0.0904","","","","","","1.073","","","","has coordinates,has disorder","250231","2020-10-21","18:00:00",""
"1556908","7.191","0.0001","13.5045","0.0001","18.6644","0.0002","90","","90","","90","","1812.52","0.03","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N3 O3 -","- C20 H23 N3 O3 -","- C80 H92 N12 O12 -","4","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0336","0.0325","","","0.1052","0.1083","","","","","","0.948","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556909","6.8118","0.0001","17.5495","0.0001","15.1113","0.0001","90","","91.427","0.001","90","","1805.9","0.03","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N3 O2 -","- C20 H25 N3 O2 -","- C80 H100 N12 O8 -","4","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0348","0.033","","","0.0833","0.0846","","","","","","1.038","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556910","10.18405","0.00005","9.71457","0.00005","18.82762","0.00009","90","","93.0169","0.0004","90","","1860.1","0.016","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21.25 N3 O2.125 -","- C22 H21.25 N3 O2.125 -","- C88 H85 N12 O8.5 -","4","2","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0259","0.0257","","","0.0679","0.0682","","","","","","1.044","","","","has coordinates","279649","2022-11-30","18:17:27",""
"1556911","32.8358","0.0003","11.60538","0.0001","5.85758","0.00007","90","","90","","90","","2232.16","0.04","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 F3 N2 O4 S -","- C24 H21 F3 N2 O4 S -","- C96 H84 F12 N8 O16 S4 -","4","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0618","0.0616","","","0.1477","0.1478","","","","","","1.093","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556912","12.4713","0.00005","9.02632","0.00004","17.84198","0.00007","90","","92.8702","0.0004","90","","2005.95","0.014","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H25 N3 O2 -","- C22 H25 N3 O2 -","- C88 H100 N12 O8 -","4","2","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0283","0.028","","","0.0739","0.0743","","","","","","1.038","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556913","10.10659","0.00011","5.94958","0.00005","13.62038","0.0001","90","","99.5974","0.0008","90","","807.53","0.013","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H19 N3 O -","- C20 H19 N3 O -","- C40 H38 N6 O2 -","2","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0282","0.0274","","","0.0699","0.0705","","","","","","1.046","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556914","8.33247","0.00002","15.71709","0.00006","17.93381","0.00005","90","","90","","90","","2348.65","0.012","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O2 -","- C28 H30 N2 O2 -","- C112 H120 N8 O8 -","4","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0279","0.0277","","","0.0703","0.0705","","","","","","1.085","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556915","6.0985","0.0004","11.5023","0.0005","30.8387","0.0015","90","","90","","90","","2163.2","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N2 O4 S -","- C24 H24 N2 O4 S -","- C96 H96 N8 O16 S4 -","4","1","","Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael","Readily accessible sp<sup>3</sup>-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality.","Chemical science","2020","11","6","1636","1642","10.1039/c9sc04849a","","x-ray","1.54184","CuKα","","0.0871","0.0624","","","0.155","0.1773","","","","","","1.098","","","","has coordinates","250231","2020-10-21","18:00:00",""
"1556992","9.7263","0.0008","11.8883","0.001","24.935","0.002","90","","90","","90","","2883.2","0.4","100","2","100","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C18 H16 O4 -","- C18 H16 O4 -","- C144 H128 O32 -","8","1","","Liang, Kangjiang; Li, Tao; Li, Na; Zhang, Yang; Shen, Lei; Ma, Zhixian; Xia, Chengfeng","Redox-neutral photochemical Heck-type arylation of vinylphenols activated by visible light","Chemical Science","2020","11","8","2130","2135","10.1039/C9SC06184C","","","0.71073","MoKα","","0.0511","0.0417","","","0.108","0.1148","","","","","","1.044","","","","has coordinates","257301","2020-10-21","18:00:00",""
"1556993","10.6565","0.0007","11.1408","0.0009","12.3","0.001","69.374","0.003","76.912","0.003","65.303","0.003","1236.26","0.17","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 N2 O2 S -","- C26 H24 N2 O2 S -","- C52 H48 N4 O4 S2 -","2","1","","Lee, Jiyoun; Ko, Donguk; Park, Hyunju; Yoo, Eun Jeong","Direct cyclopropanation of activated N-heteroarenes <i>via</i> site- and stereoselective dearomative reactions.","Chemical science","2020","11","6","1672","1676","10.1039/c9sc06369b","","","0.71073","MoKα","","0.0782","0.0504","","","0.1262","0.1367","","","","","","1.077","","","","has coordinates","250232","2020-10-21","18:00:00",""
"1556994","9.072","0.0018","9.846","0.002","23.918","0.005","90","","90","","90","","2136.4","0.8","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H26 N2 -","- C28 H26 N2 -","- C112 H104 N8 -","4","1","","Lee, Jiyoun; Ko, Donguk; Park, Hyunju; Yoo, Eun Jeong","Direct cyclopropanation of activated N-heteroarenes <i>via</i> site- and stereoselective dearomative reactions.","Chemical science","2020","11","6","1672","1676","10.1039/c9sc06369b","","","0.73","synchrotron","","0.0643","0.0588","","","0.1755","0.1815","","","","","","1.154","","","","has coordinates","250232","2020-10-21","18:00:00",""
"1556995","37.1066","0.0017","31.0733","0.0015","11.8903","0.0006","90","","99.208","0.002","90","","13533.1","1.1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","LMOF-231-F0.2; Zn2(tcbpe)0.8(tcbpe-F)0.2","LMOF-305","","- C54 H31.2 F0.8 O8 Zn2 -","- C54 H31.2 F0.8 O8 Zn2 -","- C432 H249.6 F6.4 O64 Zn16 -","8","1","","Lustig, William P.; Shen, Zeqing; Teat, Simon J.; Javed, Nasir; Velasco, Ever; O'Carroll, Deirdre M.; Li, Jing","Rational design of a high-efficiency, multivariate metal‒organic framework phosphor for white LED bulbs","Chemical Science","2020","11","7","1814","1824","10.1039/C9SC05721H","","","0.7749","synchrotron","","0.1128","0.0807","","","0.2374","0.2512","","","","","","1.24","","","","has coordinates,has disorder","257363","2020-10-21","18:00:00",""
"1557016","9.223","0.004","6.718","0.003","15.694","0.007","90","","90.983","0.007","90","","972.3","0.7","173","","173","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,4-diethynyl-2,5-bis(hexyloxy)benzene","","- C22 H30 O2 -","- C22 H30 O2 -","- C44 H60 O4 -","2","0.5","","Shu, Zhibin; Zhang, Qing; Zhang, Pan; Qin, Zhengsheng; Liu, Dan; Gao, Xiong; Guan, Bo; Qi, Haoyuan; Xiao, Mengqi; Wei, Zhongming; Dong, Huanli; Hu, Wenping","Preparing two-dimensional crystalline conjugated polymer films by synergetic polymerization and self-assembly at air/water interface","Polymer Chemistry","2020","11","9","1572","1579","10.1039/C9PY01836K","","","0.71075","MoKα","","0.0927","0.0788","","","0.1393","0.1453","","","","","","1.251","","","","has coordinates","257947","2020-10-21","18:00:00",""
"1557024","41.708","0.01","5.7563","0.001","12.67","0.003","90","","98.46","0.02","90","","3008.8","1.2","293","","293","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 S4 -","- C38 H34 S4 -","- C152 H136 S16 -","4","0.5","","Suzuki, Mitsuharu; Terai, Kengo; Quinton, Cassandre; Hayashi, Hironobu; Aratani, Naoki; Yamada, Hiroko","Open-circuit-voltage shift of over 0.5 V in organic photovoltaic cells induced by a minor structural difference in alkyl substituents","Chemical Science","2020","11","7","1825","1831","10.1039/C9SC04956H","","","0.71073","MoKα","","0.1902","0.1043","","","0.1784","0.2208","","","","","","1.089","","","","has coordinates,has disorder","257360","2020-10-21","18:00:00",""
"1557025","23.82","0.03","5.837","0.006","12.5","0.014","90","","104.133","0.018","90","","1685","3","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 S4 -","- C42 H42 S4 -","- C84 H84 S8 -","2","0.5","","Suzuki, Mitsuharu; Terai, Kengo; Quinton, Cassandre; Hayashi, Hironobu; Aratani, Naoki; Yamada, Hiroko","Open-circuit-voltage shift of over 0.5 V in organic photovoltaic cells induced by a minor structural difference in alkyl substituents","Chemical Science","2020","11","7","1825","1831","10.1039/C9SC04956H","","","0.71073","MoKα","","0.1864","0.1165","","","0.2407","0.2799","","","","","","1.089","","","","has coordinates","257360","2020-10-21","18:00:00",""
"1557026","22.15","0.003","5.7413","0.0007","13.1188","0.0016","90","","95.85","0.007","90","","1659.6","0.4","103","","103","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 S4 -","- C42 H42 S4 -","- C84 H84 S8 -","2","0.5","","Suzuki, Mitsuharu; Terai, Kengo; Quinton, Cassandre; Hayashi, Hironobu; Aratani, Naoki; Yamada, Hiroko","Open-circuit-voltage shift of over 0.5 V in organic photovoltaic cells induced by a minor structural difference in alkyl substituents","Chemical Science","2020","11","7","1825","1831","10.1039/C9SC04956H","","","0.71075","MoKα","","0.1411","0.0965","","","0.2486","0.2772","","","","","","1.118","","","","has coordinates","257360","2020-10-21","18:00:00",""
"1557027","28.173","0.003","16.4313","0.0017","20.453","0.002","90","","90.107","0.004","90","","9468.1","1.7","100","2","100","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C66 H30 Al3 Ba F89 O9 -","- C66 H30 Al3 Ba F89 O9 -","- C264 H120 Al12 Ba4 F356 O36 -","4","2","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","","0.71073","MoKα","","0.0355","0.0323","","","0.0751","0.0768","","","","","","0.942","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557028","17.765","0.006","20.654","0.007","20.031","0.008","90","","93.018","0.014","90","","7340","5","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C52 H26 Al2 Ca F68 O7 -","- C52 H26 Al2 Ca F68 O7 -","- C208 H104 Al8 Ca4 F272 O28 -","4","2","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","x-ray","0.71073","MoKα","","0.1221","0.0863","","","0.2002","0.219","","","","","","1.058","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557029","10.6319","0.0004","22.3961","0.0008","24.4869","0.0009","79.144","0.001","79.696","0.001","77.759","0.001","5537.2","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H18 Al2 F55 In O6 -","- C36 H18 Al2 F55 In O6 -","- C144 H72 Al8 F220 In4 O24 -","4","2","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","x-ray","0.71073","MoKα","","0.078","0.0496","","","0.1162","0.1295","","","","","","1.049","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557030","14.3953","0.0004","18.2606","0.0005","25.8315","0.0007","73.784","0.001","74.37","0.002","66.821","0.001","5895.1","0.3","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C50 H22 Al2 F74 Mg N6 O8 -","- C50 H22 Al2 F74 Mg N6 O8 -","- C150 H66 Al6 F222 Mg3 N18 O24 -","3","3","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","x-ray","0.71073","MoKα","","0.0722","0.0511","","","0.1185","0.1294","","","","","","1.04","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557031","13.8661","0.0005","20.2883","0.0008","23.0336","0.0009","80.031","0.001","85.985","0.001","79.942","0.001","6278.6","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H34 Al4 F118 O12 Sr -","- C84 H34 Al4 F118 O12 Sr -","- C168 H68 Al8 F236 O24 Sr2 -","2","1","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","x-ray","0.71073","MoKα","","0.0588","0.0376","","","0.0819","0.0907","","","","","","1.008","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557032","13.9542","0.0007","20.3286","0.0011","22.9128","0.0012","80.085","0.002","84.743","0.002","80.239","0.002","6296.8","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H34 Al4 Ca F118 O12 -","- C84 H34 Al4 Ca F118 O12 -","- C168 H68 Al8 Ca2 F236 O24 -","2","1","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","x-ray","0.71073","MoKα","","0.0686","0.0519","","","0.1288","0.1407","","","","","","1.031","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557033","23.429","0.0015","18.9075","0.0012","22.4874","0.0014","90","","118.27","0.002","90","","8773.4","1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H26 Al3 Ca F87 O9 -","- C60 H26 Al3 Ca F87 O9 -","- C240 H104 Al12 Ca4 F348 O36 -","4","1","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","x-ray","0.71073","MoKα","","0.0769","0.0556","","","0.1526","0.1664","","","","","","1.029","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557034","13.5412","0.0009","25.3825","0.0017","27.3385","0.0017","90.017","0.002","90.111","0.002","92.474","0.002","9387.7","1.1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H30 Al3 F89 O9 Sr -","- C66 H30 Al3 F89 O9 Sr -","- C264 H120 Al12 F356 O36 Sr4 -","4","2","","Schorpp, Marcel; Krossing, Ingo","Soft interactions with hard Lewis acids: generation of mono- and dicationic alkaline-earth metal arene-complexes by direct oxidation.","Chemical science","2020","11","8","2068","2076","10.1039/c9sc06254h","","x-ray","0.71073","MoKα","","0.0746","0.0543","","","0.1357","0.1484","","","","","","1.026","","","","has coordinates,has disorder","250221","2020-10-21","18:00:00",""
"1557045","5.3182","0.0004","10.94","0.0007","23.9705","0.0016","90","","90","","90","","1394.63","0.17","123","","123","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Cl N O2 -","- C17 H14 Cl N O2 -","- C68 H56 Cl4 N4 O8 -","4","1","","Burg, Finn; Breitenlechner, Stefan; Jandl, Christian; Bach, Thorsten","Enantioselective oxygenation of exocyclic methylene groups by a manganese porphyrin catalyst with a chiral recognition site","Chemical Science","2020","11","8","2121","2129","10.1039/C9SC06089H","","x-ray","0.71073","MoKα","","0.027","0.0268","","","0.0737","0.0741","","","","","","1.078","","","","has coordinates","257303","2020-10-21","18:00:00",""
"1557052","5.899","0.002","7.547","0.003","20.535","0.008","83.465","0.009","84.681","0.01","82.512","0.008","897.7","0.6","120","2","120","2","","","","","","","","3","P -1","-P 1","2","12CM007","","","- C22 H28 N -","- C22 H28 N -","- C44 H56 N2 -","2","1","","Mongin, Cédric; Ardoy, Alejandro Mendez; Méreau, Raphaël; Bassani, Dario M.; Bibal, Brigitte","Singlet oxygen stimulus for switchable functional organic cages","Chemical Science","2020","11","6","1478","1484","10.1039/C9SC05354A","","","0.71073","MoKα","","0.0942","0.0478","","","0.1117","0.1293","","","","","","1.015","","","","has coordinates","257324","2020-10-21","18:00:00",""
"1557053","13.0175","0.0005","9.329","0.0003","8.3512","0.0003","90","","106.37","0.002","90","","973.06","0.06","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","12CM104","","","- C28 H18 O2 -","- C28 H18 O2 -","- C56 H36 O4 -","2","0.5","","Mongin, Cédric; Ardoy, Alejandro Mendez; Méreau, Raphaël; Bassani, Dario M.; Bibal, Brigitte","Singlet oxygen stimulus for switchable functional organic cages","Chemical Science","2020","11","6","1478","1484","10.1039/C9SC05354A","","","1.54178","CuKα","","0.0382","0.0351","","","0.0922","0.0952","","","","","","1.026","","","","has coordinates","257324","2020-10-21","18:00:00",""
"1557060","8.52831","0.00011","10.39109","0.00014","11.21545","0.00016","117.584","0.0014","92.3119","0.0011","95.1854","0.0011","873.5","0.02","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 N S Si -","- C18 H19 N S Si -","- C36 H38 N2 S2 Si2 -","2","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0379","0.0335","","","0.095","0.0982","","","","","","1.068","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557061","20.6204","0.0008","9.4103","0.0003","16.7239","0.0006","90","","120.205","0.005","90","","2804.6","0.2","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H13 N O S -","- C17 H13 N O S -","- C136 H104 N8 O8 S8 -","8","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0358","0.0309","","","0.0897","0.0925","","","","","","1.064","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557062","13.1964","0.0002","13.3812","0.0002","16.7048","0.0003","90","","90","","90","","2949.79","0.08","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H15 N O S -","- C18 H15 N O S -","- C144 H120 N8 O8 S8 -","8","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0365","0.0312","","","0.0875","0.0903","","","","","","1.059","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557063","10.9143","0.0002","7.26579","0.00018","12.4737","0.0002","90","","104.425","0.002","90","","957.99","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N O S -","- C11 H9 N O S -","- C44 H36 N4 O4 S4 -","4","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","1.54184","CuKα","","0.0352","0.0307","","","0.0809","0.0847","","","","","","1.057","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557064","10.6588","0.0004","8.0663","0.0003","20.1272","0.0008","90","","95.886","0.003","90","","1721.35","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N S Se Si -","- C16 H21 N S Se Si -","- C64 H84 N4 S4 Se4 Si4 -","4","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0404","0.032","","","0.0689","0.0718","","","","","","1.078","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557065","13.9373","0.0006","7.7203","0.0003","17.0136","0.0007","90","","105.984","0.005","90","","1759.89","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N S -","- C22 H23 N S -","- C88 H92 N4 S4 -","4","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0531","0.0419","","","0.0951","0.1003","","","","","","1.051","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557066","7.5133","0.0002","25.6215","0.0007","8.2645","0.0003","90","","100.591","0.003","90","","1563.83","0.08","102","2","102","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 S -","- C21 H20 S -","- C84 H80 S4 -","4","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0429","0.0371","","","0.0887","0.0917","","","","","","1.077","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557067","6.9027","0.0006","7.3743","0.0006","9.3503","0.0007","68.861","0.008","73.292","0.008","84.246","0.006","425.18","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H7 N S -","- C10 H7 N S -","- C20 H14 N2 S2 -","2","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0377","0.0325","","","0.0779","0.0813","","","","","","1.052","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557068","12.2557","0.0002","9.5626","0.0002","21.5616","0.0004","90","","90","","90","","2526.94","0.08","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H11 N O S -","- C16 H11 N O S -","- C128 H88 N8 O8 S8 -","8","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","1.54184","CuKα","","0.0333","0.0303","","","0.0792","0.0822","","","","","","1.064","","","","has coordinates","257365","2020-10-21","18:00:00",""
"1557069","11.1885","0.0007","11.263","0.0004","12.1884","0.0007","90","","116.756","0.008","90","","1371.48","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N S -","- C17 H17 N S -","- C68 H68 N4 S4 -","4","1","","Bürger, Marcel; Loch, Maximilian N.; Jones, Peter G.; Werz, Daniel B.","From 1,2-difunctionalisation to cyanide-transfer cascades ‒ Pd-catalysed cyanosulfenylation of internal (oligo)alkynes","Chemical Science","2020","11","7","1912","1917","10.1039/C9SC04569D","","","0.71073","MoKα","","0.0511","0.0386","","","0.0847","0.0915","","","","","","1.038","","","","has coordinates,has disorder","257365","2020-10-21","18:00:00",""
"1557075","17.5623","0.0006","13.934","0.0004","20.8795","0.0007","90","","92.113","0.002","90","","5106","0.3","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H67 N3 O6 P2 Ru -","- C55 H67 N3 O6 P2 Ru -","- C220 H268 N12 O24 P8 Ru4 -","4","1","","Artús Suàrez, Lluís; Jayarathne, Upul; Balcells, David; Bernskoetter, Wesley H.; Hazari, Nilay; Jaraiz, Martín; Nova, Ainara","Rational selection of co-catalysts for the deaminative hydrogenation of amides.","Chemical science","2020","11","8","2225","2230","10.1039/c9sc03812d","","","0.71073","MoKα","","0.0874","0.0631","","","0.1484","0.1638","","","","","","1.169","","","","has coordinates","250222","2020-10-21","18:00:00",""
"1557079","12.77764","0.00017","5.95718","0.00005","12.86001","0.00011","90","","100.546","0.001","90","","962.352","0.018","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H23 N O3 -","- C25 H23 N O3 -","- C50 H46 N2 O6 -","2","1","","Di Sanza, Riccardo; Nguyen, Thi Le Nhon; Iqbal, Naeem; Argent, Stephen P.; Lewis, William; Lam, Hon Wai","Enantioselective nickel-catalyzed arylative and alkenylative intramolecular 1,2-allylations of tethered allene‒ketones","Chemical Science","2020","11","9","2401","2406","10.1039/C9SC05246A","","x-ray","1.54184","CuKα","","0.029","0.0286","","","0.0737","0.0741","","","","","","1.044","","","","has coordinates","257370","2020-10-21","18:00:00",""
"1557080","10.3193","0.0001","10.5258","0.0001","18.2046","0.0002","90","","90","","90","","1977.36","0.03","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 N O2 -","- C23 H29 N O2 -","- C92 H116 N4 O8 -","4","1","","Di Sanza, Riccardo; Nguyen, Thi Le Nhon; Iqbal, Naeem; Argent, Stephen P.; Lewis, William; Lam, Hon Wai","Enantioselective nickel-catalyzed arylative and alkenylative intramolecular 1,2-allylations of tethered allene‒ketones","Chemical Science","2020","11","9","2401","2406","10.1039/C9SC05246A","","x-ray","1.54184","CuKα","","0.0292","0.0282","","","0.0695","0.0702","","","","","","1.041","","","","has coordinates","257370","2020-10-21","18:00:00",""
"1557081","5.909","0.0001","12.8175","0.0002","27.4929","0.0004","90","","90","","90","","2082.27","0.06","120","2","120","2","","","","","","","petroleum ether, EtOAc","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N O3 S -","- C25 H25 N O3 S -","- C100 H100 N4 O12 S4 -","4","1","","Di Sanza, Riccardo; Nguyen, Thi Le Nhon; Iqbal, Naeem; Argent, Stephen P.; Lewis, William; Lam, Hon Wai","Enantioselective nickel-catalyzed arylative and alkenylative intramolecular 1,2-allylations of tethered allene‒ketones","Chemical Science","2020","11","9","2401","2406","10.1039/C9SC05246A","","x-ray","1.54184","CuKα","","0.0243","0.0234","","","0.0577","0.0583","","","","","","1.06","","","","has coordinates","257370","2020-10-21","18:00:00",""
"1557082","21.613","0.0013","12.1859","0.0007","13.5922","0.0007","90","","104.043","0.006","90","","3472.8","0.4","150","0.3","150","0.3","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 O3 -","- C24 H18 O3 -","- C192 H144 O24 -","8","1","","He, Zhen; Perry, Gregory J. P.; Procter, David J.","Sulfoxide-mediated oxidative cross-coupling of phenols","Chemical Science","2020","11","7","2001","2005","10.1039/C9SC05668H","","x-ray","0.71073","MoKα","","0.0688","0.053","","","0.1258","0.1351","","","","","","1.071","","","","has coordinates","257358","2020-10-21","18:00:00",""
"1557083","14.145","0.002","7.441","0.001","24.56","0.004","90","","96.17","0.013","90","","2570","0.7","149.9","0.3","149.9","0.3","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 O6 -","- C26 H24 O6 -","- C104 H96 O24 -","4","1","","He, Zhen; Perry, Gregory J. P.; Procter, David J.","Sulfoxide-mediated oxidative cross-coupling of phenols","Chemical Science","2020","11","7","2001","2005","10.1039/C9SC05668H","","x-ray","0.71073","MoKα","","0.1401","0.0709","","","0.1404","0.176","","","","","","0.975","","","","has coordinates","257358","2020-10-21","18:00:00",""
"1557084","16.2589","0.001","6.7715","0.0003","16.4568","0.0009","90","","106.511","0.006","90","","1737.14","0.17","149.9","0.3","149.9","0.3","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Cl O3 -","- C22 H15 Cl O3 -","- C88 H60 Cl4 O12 -","4","1","","He, Zhen; Perry, Gregory J. P.; Procter, David J.","Sulfoxide-mediated oxidative cross-coupling of phenols","Chemical Science","2020","11","7","2001","2005","10.1039/C9SC05668H","","x-ray","0.71073","MoKα","","0.0762","0.0521","","","0.1056","0.1222","","","","","","1.053","","","","has coordinates","257358","2020-10-21","18:00:00",""
"1557085","12.5579","0.001","5.2167","0.0004","35.021","0.003","90","","94.917","0.007","90","","2285.8","0.3","150","0.3","150","0.3","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 O7 -","- C25 H24 O7 -","- C100 H96 O28 -","4","1","","He, Zhen; Perry, Gregory J. P.; Procter, David J.","Sulfoxide-mediated oxidative cross-coupling of phenols","Chemical Science","2020","11","7","2001","2005","10.1039/C9SC05668H","","x-ray","0.71073","MoKα","","0.1549","0.0968","","","0.2006","0.2306","","","","","","1.083","","","","has coordinates","257358","2020-10-21","18:00:00",""
"1557086","29.9022","0.0018","11.0935","0.0006","13.4816","0.0007","90","","99.73","0.005","90","","4407.8","0.4","149.9","0.3","149.9","0.3","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C25 H28 O8 -","- C25 H28 O8 -","- C200 H224 O64 -","8","1","","He, Zhen; Perry, Gregory J. P.; Procter, David J.","Sulfoxide-mediated oxidative cross-coupling of phenols","Chemical Science","2020","11","7","2001","2005","10.1039/C9SC05668H","","x-ray","0.71073","MoKα","","0.0787","0.0545","","","0.1208","0.1334","","","","","","1.042","","","","has coordinates,has disorder","257358","2020-10-21","18:00:00",""
"1557087","9.3923","0.0003","29.4208","0.0008","11.9664","0.0003","90","","102.511","0.003","90","","3228.14","0.16","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H34 F6 N3 O P -","- C39 H34 F6 N3 O P -","- C156 H136 F24 N12 O4 P4 -","4","1","","Zheng, Zheng; Liu, Haixiang; Zhai, Shaodong; Zhang, Haoke; Shan, Guogang; Kwok, Ryan T. K.; Ma, Chao; Sung, Herman H. Y.; Williams, Ian D.; Lam, Jacky W. Y.; Wong, Kam Sing; Hu, Xianglong; Tang, Ben Zhong","Highly efficient singlet oxygen generation, two-photon photodynamic therapy and melanoma ablation by rationally designed mitochondria-specific near-infrared AIEgens","Chemical Science","2020","11","9","2494","2503","10.1039/C9SC06441A","","x-ray","1.54184","CuKα","","0.075","0.065","","","0.1706","0.1803","","","","","","1.026","","","","has coordinates","257369","2020-10-21","18:00:00",""
"1557088","9.53897","0.0001","23.141","0.0002","9.5721","0.0001","90","","107.33","0.0012","90","","2017.04","0.04","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 N2 O -","- C27 H22 N2 O -","- C108 H88 N8 O4 -","4","1","","Zheng, Zheng; Liu, Haixiang; Zhai, Shaodong; Zhang, Haoke; Shan, Guogang; Kwok, Ryan T. K.; Ma, Chao; Sung, Herman H. Y.; Williams, Ian D.; Lam, Jacky W. Y.; Wong, Kam Sing; Hu, Xianglong; Tang, Ben Zhong","Highly efficient singlet oxygen generation, two-photon photodynamic therapy and melanoma ablation by rationally designed mitochondria-specific near-infrared AIEgens","Chemical Science","2020","11","9","2494","2503","10.1039/C9SC06441A","","x-ray","1.54184","CuKα","","0.036","0.0349","","","0.0958","0.0967","","","","","","1.001","","","","has coordinates,has disorder","257369","2020-10-21","18:00:00",""
"1557089","25.4899","0.0016","18.8304","0.0012","25.7453","0.0016","90","","103.128","0.0009","90","","12034.4","1.3","88","2","88","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H190 Dy2 K2 N6 O21 Si12 -","- C78 H190 Dy2 K2 N6 O21 Si12 -","- C312 H760 Dy8 K8 N24 O84 Si48 -","4","0.5","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0738","0.0373","","","0.0667","0.0846","","","","","","1.114","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557090","11.0616","0.001","27.199","0.002","21.7721","0.0019","90","","103.885","0.0012","90","","6359","0.9","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H102 Dy K N3 O12 Si6 -","- C42 H102 Dy K N3 O12 Si6 -","- C168 H408 Dy4 K4 N12 O48 Si24 -","4","1","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0678","0.0426","","","0.0928","0.1025","","","","","","1.023","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557091","25.453","0.003","18.757","0.002","25.744","0.003","90","","103.142","0.0015","90","","11969","2","88","2","88","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H190 K2 N6 O21 Si12 Tm2 -","- C78 H190 K2 N6 O21 Si12 Tm2 -","- C312 H760 K8 N24 O84 Si48 Tm8 -","4","0.5","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0349","0.0244","","","0.0509","0.0554","","","","","","1.011","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557092","21.956","0.002","22.554","0.002","25.737","0.003","90","","90","","90","","12745","2","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C42 H102 K N3 O12 Si6 Tm -","- C42 H102 K N3 O12 Si6 Tm -","- C336 H816 K8 N24 O96 Si48 Tm8 -","8","2","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0941","0.0522","","","0.091","0.1048","","","","","","1.009","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557093","12.6614","0.0013","15.5498","0.0015","21.205","0.002","94.4758","0.0013","94.0831","0.0013","105.746","0.0012","3987.4","0.7","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H124 Gd2 K2 N4 O16 Si8 -","- C52 H124 Gd2 K2 N4 O16 Si8 -","- C104 H248 Gd4 K4 N8 O32 Si16 -","2","1","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0538","0.0332","","","0.0614","0.0672","","","","","","0.989","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557094","18.564","0.003","18.564","0.003","18.05","0.003","90","","90","","120","","5387","1.5","88","2","88","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","","","","- C36 H90 Gd K N5 O6 Si6 -","- C36 H90 Gd K N5 O6 Si6 -","- C108 H270 Gd3 K3 N15 O18 Si18 -","3","0.166667","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0304","0.0235","","","0.0411","0.0426","","","","","","1.005","","","","has coordinates","257359","2020-10-21","18:00:00",""
"1557095","11.064","0.003","27.08","0.006","21.797","0.005","90","","103.991","0.003","90","","6337","3","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H102 Er K N3 O12 Si6 -","- C42 H102 Er K N3 O12 Si6 -","- C168 H408 Er4 K4 N12 O48 Si24 -","4","1","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0703","0.0496","","","0.1012","0.1081","","","","","","1.091","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557096","11.0476","0.0011","27.157","0.003","21.797","0.002","90","","103.905","0.0012","90","","6347.9","1.1","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H102 Ho K N3 O12 Si6 -","- C42 H102 Ho K N3 O12 Si6 -","- C168 H408 Ho4 K4 N12 O48 Si24 -","4","1","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0417","0.0368","","","0.0883","0.0914","","","","","","1.028","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557097","11.1493","0.0011","27.059","0.003","21.755","0.002","90","","104.007","0.0013","90","","6368.1","1.1","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H102 Gd K N3 O12 Si6 -","- C42 H102 Gd K N3 O12 Si6 -","- C168 H408 Gd4 K4 N12 O48 Si24 -","4","1","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0623","0.0466","","","0.0904","0.0953","","","","","","1.1","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557098","11.1324","0.0018","27.081","0.004","21.775","0.004","90","","103.924","0.002","90","","6371.8","1.8","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H102 K N3 O12 Si6 Tb -","- C42 H102 K N3 O12 Si6 Tb -","- C168 H408 K4 N12 O48 Si24 Tb4 -","4","1","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0461","0.0356","","","0.0804","0.0855","","","","","","1.024","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557099","25.507","0.011","18.806","0.008","25.726","0.011","90","","103.21","0.006","90","","12014","9","88","2","88","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H190 Gd2 K2 N6 O21 Si12 -","- C78 H190 Gd2 K2 N6 O21 Si12 -","- C312 H760 Gd8 K8 N24 O84 Si48 -","4","0.5","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.1704","0.1015","","","0.2455","0.2892","","","","","","1.027","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557100","11.0774","0.0007","27.0905","0.0018","21.7959","0.0014","90","","104","0.0009","90","","6346.5","0.7","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H102 K N3 O12 Si6 Y -","- C42 H102 K N3 O12 Si6 Y -","- C168 H408 K4 N12 O48 Si24 Y4 -","4","1","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.069","0.0516","","","0.1294","0.1384","","","","","","1.026","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557101","25.514","0.003","18.8","0.002","25.712","0.003","90","","103.167","0.0015","90","","12009","2","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C78 H190 Ho2 K2 N6 O21 Si12 -","- C78 H190 Ho2 K2 N6 O21 Si12 -","- C312 H760 Ho8 K8 N24 O84 Si48 -","4","0.5","","Ryan, Austin J.; Ziller, Joseph W.; Evans, William J.","The importance of the counter-cation in reductive rare-earth metal chemistry: 18-crown-6 instead of 2,2,2-cryptand allows isolation of [YII(NR2)3]1− and ynediolate and enediolate complexes from CO reactions","Chemical Science","2020","11","7","2006","2014","10.1039/C9SC05794C","","","0.71073","MoKα","","0.0345","0.0251","","","0.0554","0.0589","","","","","","1.025","","","","has coordinates,has disorder","257359","2020-10-21","18:00:00",""
"1557105","28.36","0.0004","12.35285","0.00017","27.666","0.0004","90","","94.6541","0.0014","90","","9660.2","0.2","173","2","173","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C104 H96 B4 F16 N8 O4 Pd2 -","- C88 H56 B4 F16 N8 Pd2 -","- C352 H224 B16 F64 N32 Pd8 -","4","0.5","","Lewis, James E. M.; Tarzia, Andrew; White, Andrew J. P.; Jelfs, Kim E.","Conformational control of Pd2L4 assemblies with unsymmetrical ligands","Chemical Science","2020","11","3","677","683","10.1039/C9SC05534G","","","1.54184","CuKα","","0.0494","0.0419","","","0.1118","0.119","","","","","","1.055","","","","has coordinates,has disorder","257420","2020-10-21","18:00:00",""
"1557106","23.2193","0.0009","15.8896","0.0005","38.7298","0.0015","90","","112.281","0.005","90","","13222.3","1","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C123 H119 B4 F16 N17 O9 Pd2 -","- C96 H56 N8 Pd2 -","- C384 H224 N32 Pd8 -","4","0.5","","Lewis, James E. M.; Tarzia, Andrew; White, Andrew J. P.; Jelfs, Kim E.","Conformational control of Pd2L4 assemblies with unsymmetrical ligands","Chemical Science","2020","11","3","677","683","10.1039/C9SC05534G","","","1.54184","CuKα","","0.106","0.0994","","","0.2702","0.2743","","","","","","1.078","","","","has coordinates","257420","2020-10-21","18:00:00",""
"1557107","6.29025","0.00014","7.62301","0.00017","32.0065","0.0007","90","","90.1584","0.0019","90","","1534.73","0.06","173","0.1","173","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 I N2 -","- C16 H19 I N2 -","- C64 H76 I4 N8 -","4","1","","Guo, Lifang; Li, Chuanya; Shang, Hai; Zhang, Ruoyao; Li, Xuechen; Lu, Qing; Cheng, Xiao; Liu, Zhiqiang; Sun, Jing Zhi; Yu, Xiaoqiang","A side-chain engineering strategy for constructing fluorescent dyes with direct and ultrafast self-delivery to living cells","Chemical Science","2020","11","3","661","670","10.1039/C9SC05875C","","x-ray","1.54184","CuKα","","0.0579","0.0469","","","0.1315","0.1683","","","","","","1.166","","","","has coordinates","257424","2020-10-21","18:00:00",""
"1557108","14.6729","0.0007","15.6807","0.0007","16.4518","0.0007","85.945","0.004","73.88","0.004","62.636","0.005","3222.3","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H87 I3 N5 O2 -","- C64 H87 I3 N5 O2 -","- C128 H174 I6 N10 O4 -","2","1","","Guo, Lifang; Li, Chuanya; Shang, Hai; Zhang, Ruoyao; Li, Xuechen; Lu, Qing; Cheng, Xiao; Liu, Zhiqiang; Sun, Jing Zhi; Yu, Xiaoqiang","A side-chain engineering strategy for constructing fluorescent dyes with direct and ultrafast self-delivery to living cells","Chemical Science","2020","11","3","661","670","10.1039/C9SC05875C","","x-ray","1.54184","CuKα","","0.0742","0.0496","","","0.1393","0.1579","","","","","","0.999","","","","has coordinates,has disorder","257424","2020-10-21","18:00:00",""
"1557109","6.9063","0.0002","7.9318","0.0002","30.157","0.0006","90","","90","","90","","1651.98","0.07","173","0.02","173","0.02","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 I N2 -","- C17 H18 I N2 -","- C68 H72 I4 N8 -","4","1","","Guo, Lifang; Li, Chuanya; Shang, Hai; Zhang, Ruoyao; Li, Xuechen; Lu, Qing; Cheng, Xiao; Liu, Zhiqiang; Sun, Jing Zhi; Yu, Xiaoqiang","A side-chain engineering strategy for constructing fluorescent dyes with direct and ultrafast self-delivery to living cells","Chemical Science","2020","11","3","661","670","10.1039/C9SC05875C","","x-ray","1.54184","CuKα","","0.058","0.0518","","","0.1385","0.1451","","","","","","1.045","","","","has coordinates","257424","2020-10-21","18:00:00",""
"1557110","13.2857","0.0009","13.9411","0.0008","20.5686","0.0015","103.573","0.002","95.666","0.003","116.252","0.002","3230.4","0.4","100","","99.98","","","","","","","","","5","P -1","-P 1","2","","UImNHC","","- C73 H92 N5 O2 U -","- C73 H92 N5 O2 U -","- C146 H184 N10 O4 U2 -","2","1","","Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye","Intra- and intermolecular interception of a photochemically generated terminal uranium nitride","Chemical Science","2020","11","9","2381","2387","10.1039/C9SC05992J","","","0.71073","MoKα","","0.0705","0.0476","","","0.1016","0.1133","","","","","","1.074","","","","has coordinates","257368","2020-10-21","18:00:00",""
"1557111","13.1219","0.0004","13.5561","0.0005","20.3099","0.0007","78.109","0.002","76.264","0.002","68.201","0.002","3230.5","0.2","100","2","100.01","","","","","","","","","4","P -1","-P 1","2","","UImNHCazide","","- C75 H88 N8 U -","- C75 H88 N8 U -","- C150 H176 N16 U2 -","2","1","","Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye","Intra- and intermolecular interception of a photochemically generated terminal uranium nitride","Chemical Science","2020","11","9","2381","2387","10.1039/C9SC05992J","","","0.71073","MoKα","","0.0562","0.0465","","","0.0979","0.1017","","","","","","1.141","","","","has coordinates,has disorder","257368","2020-10-21","18:00:00",""
"1557112","25.884","0.005","13.889","0.003","21.315","0.004","90","","110.09","0.03","90","","7197","3","100","","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","UImNHCNPMe3","","- C76 H99 N6 O P U -","- C76 H99 N6 O P U -","- C304 H396 N24 O4 P4 U4 -","4","1","","Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye","Intra- and intermolecular interception of a photochemically generated terminal uranium nitride","Chemical Science","2020","11","9","2381","2387","10.1039/C9SC05992J","","","0.71073","MoKα","","0.0422","0.0279","","","0.0618","0.0667","","","","","","1.026","","","","has coordinates,has disorder","257368","2020-10-21","18:00:00",""
"1557113","14.7113","0.0008","12.979","0.0006","36.748","0.0017","90","","94.521","0.002","90","","6994.8","0.6","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","UImNHCN","","- C75 H96 N6 U -","- C75 H92 N6 U -","- C300 H368 N24 U4 -","4","1","","Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye","Intra- and intermolecular interception of a photochemically generated terminal uranium nitride","Chemical Science","2020","11","9","2381","2387","10.1039/C9SC05992J","","","0.71073","MoKα","","0.0669","0.0526","","","0.1004","0.1046","","","","","","1.228","","","","has coordinates","257368","2020-10-21","18:00:00",""
"1557114","13.1812","0.0005","15.8571","0.0006","19.6743","0.0008","110.71","0.002","90.48","0.002","105.002","0.002","3692.6","0.3","100","","100.15","","","","","","","","","5","P -1","-P 1","2","","UImNHCNPhNC","","- C82 H101 N7 O U -","- C82 H101 N7 O U -","- C164 H202 N14 O2 U2 -","2","1","","Yadav, Munendra; Metta-Magaña, Alejandro; Fortier, Skye","Intra- and intermolecular interception of a photochemically generated terminal uranium nitride","Chemical Science","2020","11","9","2381","2387","10.1039/C9SC05992J","","","0.71073","MoKα","","0.043","0.0327","","","0.0863","0.0924","","","","","","1.077","","","","has coordinates,has disorder","257368","2020-10-21","18:00:00",""
"1557115","11.3659","0.0004","11.9259","0.0004","17.9314","0.0006","90","","90","","90","","2430.58","0.14","153","2","153.01","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H26 O2 -","- C33 H26 O2 -","- C132 H104 O8 -","4","1","","Liu, Xihong; Zhang, Jingying; Bai, Lutao; Wang, Linqing; Yang, Dongxu; Wang, Rui","Catalytic asymmetric multiple dearomatizations of phenols enabled by a cascade 1,8-addition and Diels‒Alder reaction","Chemical Science","2020","11","3","671","676","10.1039/C9SC05320D","","","1.54178","CuKα","","0.0273","0.0265","","","0.0655","0.0663","","","","","","1.08","","","","has coordinates","257429","2020-10-21","18:00:00",""
"1557116","14.635","0.0007","18.1373","0.0009","22.0161","0.001","79.631","0.004","75.201","0.004","74.12","0.004","5396.2","0.5","150","2","150","2","","","","","","","","2","P -1","-P 1","2","","","","- C64 H88 -","- C64 H88 -","- C256 H352 -","4","2","","Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.","A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.","Chemical science","2020","11","8","2051","2057","10.1039/c9sc06153c","","x-ray","1.54184","CuKα","","0.1246","0.1066","","","0.2653","0.2812","","","","","","1.106","","","","has coordinates","250220","2020-10-21","18:00:00",""
"1557117","12.9083","0.0007","14.2464","0.0008","20.148","0.0015","74.898","0.006","79.351","0.005","89.459","0.004","3512.7","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C61 H39 B F24 N7 Rh -","- C61 H39 B F24 N7 Rh -","- C122 H78 B2 F48 N14 Rh2 -","2","1","","Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.","A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.","Chemical science","2020","11","8","2051","2057","10.1039/c9sc06153c","","x-ray","1.54184","CuKα","","0.1176","0.0997","","","0.2466","0.2619","","","","","","1.04","","","","has coordinates,has disorder","250220","2020-10-21","18:00:00",""
"1557118","11.7452","0.0004","16.7896","0.0005","18.5777","0.0007","84.062","0.003","73.668","0.003","70.038","0.003","3304.3","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H62 B F24 N5 Rh -","- C67 H62 B F24 N5 Rh -","- C134 H124 B2 F48 N10 Rh2 -","2","1","","Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.","A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.","Chemical science","2020","11","8","2051","2057","10.1039/c9sc06153c","","x-ray","1.54184","CuKα","","0.0676","0.0561","","","0.1408","0.1481","","","","","","1.036","","","","has coordinates,has disorder","250220","2020-10-21","18:00:00",""
"1557119","10.7497","0.0005","11.175","0.0004","11.5688","0.0003","96.962","0.002","96.945","0.003","116.711","0.004","1207.93","0.09","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H16 F8 -","- C32 H16 F8 -","- C64 H32 F16 -","2","1","","Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.","A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.","Chemical science","2020","11","8","2051","2057","10.1039/c9sc06153c","","x-ray","1.54184","CuKα","","0.0466","0.04","","","0.1068","0.1124","","","","","","1.032","","","","has coordinates","250220","2020-10-21","18:00:00",""
"1557120","19.4406","0.0003","17.1714","0.0003","19.516","0.0003","90","","103.079","0.0016","90","","6345.86","0.18","150","2","150","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C60 H51 B Cl2 F24 N5 Rh -","- C60 H51 B Cl2 F24 N5 Rh -","- C240 H204 B4 Cl8 F96 N20 Rh4 -","4","1","","Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.","A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.","Chemical science","2020","11","8","2051","2057","10.1039/c9sc06153c","","x-ray","0.71073","MoKα","","0.0415","0.0383","","","0.0953","0.0976","","","","","","1.025","","","","has coordinates,has disorder","250220","2020-10-21","18:00:00",""
"1557121","16.95902","0.00018","18.45666","0.00019","34.7576","0.0003","90","","98.7133","0.001","90","","10753.8","0.19","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H37 B F24 N5 Rh -","- C54 H37 B F24 N5 Rh -","- C432 H296 B8 F192 N40 Rh8 -","8","1","","Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.","A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.","Chemical science","2020","11","8","2051","2057","10.1039/c9sc06153c","","x-ray","0.71073","MoKα","","0.0573","0.0519","","","0.1097","0.1125","","","","","","1.146","","","","has coordinates,has disorder","250220","2020-10-21","18:00:00",""
"1557122","13.01044","0.00008","20.05043","0.00013","26.99316","0.00016","90.7652","0.0005","97.9088","0.0005","106.636","0.0005","6672.31","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C68 H45 B F25 N5 O Rh -","- C68 H45 B F25 N5 O Rh -","- C272 H180 B4 F100 N20 O4 Rh4 -","4","2","","Storey, Caroline M.; Kalpokas, Audrius; Gyton, Matthew R.; Krämer, Tobias; Chaplin, Adrian B.","A shape changing tandem Rh(CNC) catalyst: preparation of bicyclo[4.2.0]octa-1,5,7-trienes from terminal aryl alkynes.","Chemical science","2020","11","8","2051","2057","10.1039/c9sc06153c","","x-ray","1.54184","CuKα","","0.0363","0.0348","","","0.0901","0.0918","","","","","","1.015","","","","has coordinates,has disorder","250220","2020-10-21","18:00:00",""
"1557123","8.6977","0.0004","9.9164","0.0004","20.6241","0.0009","90","","90","","90","","1778.83","0.13","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O6 -","- C21 H20 O6 -","- C84 H80 O24 -","4","1","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.0795","0.0511","","","0.1017","0.114","","","","","","1.04","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557124","15.4799","0.0006","12.7561","0.0005","17.7032","0.0007","90","","110.471","0.001","90","","3275","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 Br2 O9 -","- C37 H32 Br2 O9 -","- C148 H128 Br8 O36 -","4","1","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.0536","0.0334","","","0.0669","0.0726","","","","","","1.008","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557125","11.1979","0.0009","12.5205","0.001","24.904","0.002","90","","93.401","0.002","90","","3485.5","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O6 -","- C20 H20 O6 -","- C160 H160 O48 -","8","2","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.1373","0.0846","","","0.199","0.226","","","","","","1.066","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557126","11.2987","0.0006","10.6941","0.0006","11.9582","0.0007","90","","90.723","0.001","90","","1444.79","0.14","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O5 -","- C18 H16 O5 -","- C72 H64 O20 -","4","2","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.0334","0.0312","","","0.0772","0.0787","","","","","","1.039","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557127","13.6526","0.0008","9.772","0.0005","24.8831","0.0013","90","","101.015","0.002","90","","3258.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O7 -","- C18 H18 O7 -","- C144 H144 O56 -","8","2","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.0426","0.0357","","","0.0847","0.0885","","","","","","1.065","","","","has coordinates,has disorder","257302","2020-10-21","18:00:00",""
"1557128","10.1038","0.0007","12.0566","0.0009","10.4153","0.0007","90","","97.827","0.002","90","","1256.95","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H29 N O8 -","- C27 H29 N O8 -","- C54 H58 N2 O16 -","2","1","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.0651","0.0431","","","0.0848","0.0916","","","","","","1.059","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557129","7.091","0.0004","16.2621","0.0009","13.2704","0.0007","90","","92.494","0.002","90","","1528.82","0.15","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C68 H80 O24 -","4","2","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","1.54178","CuKα","","0.028","0.0275","","","0.0705","0.0709","","","","","","1.042","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557130","26.9187","0.001","7.6682","0.0003","12.9814","0.0005","90","","108.271","0.003","90","","2544.5","0.17","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H29 N O8 -","- C27 H29 N O8 -","- C108 H116 N4 O32 -","4","1","","Cole, Charles J. F.; Fuentes, Lilia; Snyder, Scott A.","Asymmetric pyrone Diels‒Alder reactions enabled by dienamine catalysis","Chemical Science","2020","11","8","2175","2180","10.1039/C9SC05738B","","","0.71073","MoKα","","0.0478","0.0375","","","0.0836","0.0876","","","","","","1.04","","","","has coordinates","257302","2020-10-21","18:00:00",""
"1557131","6.0431","0.0002","13.3857","0.0004","14.3592","0.0004","90","","90","","90","","1161.53","0.06","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C6 H5 D N2 -","- C6 H5 D N2 -","- C48 H40 D8 N16 -","8","1","","Yang, Huan; Zhang, Li; Zhou, Fei-Yu; Jiao, Lei","An umpolung approach to the hydroboration of pyridines: a novel and efficient synthesis of N-H 1,4-dihydropyridines","Chemical Science","2020","11","3","742","747","10.1039/C9SC05627K","","x-ray","1.54184","CuKα","","0.0746","0.0667","","","0.1497","0.1598","","","","","","1.099","","","","has coordinates","257419","2020-10-21","18:00:00",""
"1557132","13.9378","0.0012","13.9378","0.0012","8.2316","0.0008","90","","90","","120","","1384.9","0.2","299","2","298.94","","","","","","","","","3","P 3 1 m","P 3 -2","157","","","","- In8 Ir1.5 S5.25 -","- In8 Ir1.5 S5.25 -","- In32 Ir6 S21 -","4","0.666667","","Khoury, Jason F.; He, Jiangang; Pfluger, Jonathan E.; Hadar, Ido; Balasubramanian, Mahalingam; Stoumpos, Constantinos C.; Zu, Rui; Gopalan, Venkatraman; Wolverton, Chris; Kanatzidis, Mercouri G.","Ir6In32S21, a polar, metal-rich semiconducting subchalcogenide","Chemical Science","2020","11","3","870","878","10.1039/C9SC05609B","","","0.71073","MoKα","","0.0278","0.0258","","","0.0691","0.0704","","","","","","1.075","","","","has coordinates","257422","2020-10-21","18:00:00",""
"1557142","7.5074","0.0004","11.2005","0.0006","11.2581","0.0005","70.42","0.004","78.131","0.004","84.462","0.004","872.46","0.08","100","0.1","99.95","0.15","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Cl N3 O Pd -","- C18 H20 Cl N3 O Pd -","- C36 H40 Cl2 N6 O2 Pd2 -","2","1","","Czyz, Milena L.; Weragoda, Geethika K.; Horngren, Tyra H.; Connell, Timothy U.; Gomez, Daniel; O'Hair, Richard A. J.; Polyzos, Anastasios","Photoexcited Pd(ii) auxiliaries enable light-induced control in C(sp3)‒H bond functionalisation","Chemical Science","2020","11","9","2455","2463","10.1039/C9SC05722F","","x-ray","0.71073","MoKα","","0.0686","0.05","","","0.1073","0.1152","","","","","","1.06","","","","has coordinates","257367","2020-10-21","18:00:00",""
"1557165","13.9904","0.0007","14.295","0.0008","48.384","0.002","90","","94.664","0.002","90","","9644.4","0.8","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C100 H102 Au4 P2 Ru2 S8 -","- C100 H102 Au4 P2 Ru2 S8 -","- C400 H408 Au16 P8 Ru8 S32 -","4","1","","Sun, Yongnan; Pei, Wei; Xie, Mingcai; Xu, Shun; Zhou, Si; Zhao, Jijun; Xiao, Kang; Zhu, Yan","Excitonic Au4Ru2(PPh3)2(SC2H4Ph)8 cluster for light-driven dinitrogen fixation","Chemical Science","2020","11","9","2440","2447","10.1039/C9SC06424A","","","0.71073","MoKα","","0.0495","0.0433","","","0.1085","0.1112","","","","","","1.13","","","","has coordinates","257373","2020-10-21","18:00:00",""
"1557189","10.7749","0.0011","15.2475","0.0015","12.314","0.0013","90","","108.515","0.008","90","","1918.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H12 F6 N2 O3 -","- C22 H12 F6 N2 O3 -","- C88 H48 F24 N8 O12 -","4","1","","Malla, Javid Ahmad; Umesh, Rintu M.; Vijay, Amal; Mukherjee, Arnab; Lahiri, Mayurika; Talukdar, Pinaki","Apoptosis-inducing activity of a fluorescent barrel-rosette M+/Cl− channel","Chemical Science","2020","11","9","2420","2428","10.1039/C9SC06520B","","","1.54178","CuKα","","0.2321","0.0866","","","0.186","0.259","","","","","","0.996","","","","has coordinates","257372","2020-10-21","18:00:00",""
"1557197","15.21","0.005","16.731","0.005","23.716","0.007","90","","104.529","0.006","90","","5842","3","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H62 N6 O13 Zn2 -","- C58 H60 N6 O13 Zn2 -","- C232 H240 N24 O52 Zn8 -","4","1","","Fu, Guorui; He, Yani; Li, Wentao; Miao, Tiezheng; Lü, Xingqiang; He, Hongshan; Liu, Li; Wong, Wai-Yeung","Efficient white polymer light-emitting diodes (WPLEDs) based on covalent-grafting of [Zn2(MP)3(OAc)] into PVK","Chemical Science","2020","11","10","2640","2646","10.1039/C9SC05288G","","","","","","0.218","","","","","","","","","","","","","","","has coordinates","257291","2020-10-21","18:00:00",""
"1557206","11.012","0.009","16.138","0.013","11.225","0.009","90","","96.899","0.012","90","","1980","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H30 N2 O2 -","- C20 H30 N2 O2 -","- C80 H120 N8 O8 -","4","1","","Chen, Hang; Ye, Hebo; Hai, Yu; Zhang, Ling; You, Lei","n →π* interactions as a versatile tool for controlling dynamic imine chemistry in both organic and aqueous media","Chemical Science","2020","11","10","2707","2715","10.1039/C9SC05698J","","","0.71073","MoKα","","0.0813","0.0547","","","0.13","0.1445","","","","","","1.093","","","","has coordinates","257290","2020-10-21","18:00:00",""
"1557207","17.03","0.02","10.58","0.01","22.26","0.04","90","","103.23","0.03","90","","3904","9","173","2","173.15","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C19 H29 N3 O2 -","- C19 H29 N3 O2 -","- C152 H232 N24 O16 -","8","1","","Chen, Hang; Ye, Hebo; Hai, Yu; Zhang, Ling; You, Lei","n →π* interactions as a versatile tool for controlling dynamic imine chemistry in both organic and aqueous media","Chemical Science","2020","11","10","2707","2715","10.1039/C9SC05698J","","","0.71073","MoKα","","0.1482","0.088","","","0.2275","0.2777","","","","","","1.072","","","","has coordinates","257290","2020-10-21","18:00:00",""
"1557228","27.571","0.003","19.7599","0.0018","19.1951","0.0018","90","","90","","90","","10457.5","1.8","213","2","213","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C101 H48 F40 N12 Ni O7 -","- C101 H48 F40 N12 Ni O7 -","- C404 H192 F160 N48 Ni4 O28 -","4","1","","Li, Chengjie; Zhang, Kai; Ishida, Masatoshi; Li, Qizhao; Shimomura, Keito; Baryshnikov, Glib; Li, Xin; Savage, Mathew; Wu, Xin-Yan; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu","Tripyrrin-armed isosmaragdyrins: synthesis, heterodinuclear coordination, and protonation-triggered helical inversion","Chemical Science","2020","11","10","2790","2795","10.1039/C9SC06197E","","","0.71075","MoKα","","0.0953","0.0551","","","0.1074","0.1184","","","","","","1.005","","","","has coordinates","257287","2020-10-21","18:00:00",""
"1557229","47.886","0.003","13.8742","0.0013","28.061","0.003","90","","119.602","0.002","90","","16210","3","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C89.5 H19 Cl Cu F40 N8 Ni O3 -","- C89.5 H19 Cl Cu F40 N8 Ni O3 -","- C716 H152 Cl8 Cu8 F320 N64 Ni8 O24 -","8","1","","Li, Chengjie; Zhang, Kai; Ishida, Masatoshi; Li, Qizhao; Shimomura, Keito; Baryshnikov, Glib; Li, Xin; Savage, Mathew; Wu, Xin-Yan; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu","Tripyrrin-armed isosmaragdyrins: synthesis, heterodinuclear coordination, and protonation-triggered helical inversion","Chemical Science","2020","11","10","2790","2795","10.1039/C9SC06197E","","","1.54187","CuKα","","0.2124","0.0782","","","0.1032","0.1598","","","","","","0.863","","","","has coordinates","257287","2020-10-21","18:00:00",""
"1557230","11.6188","0.0016","14.403","0.0011","26.7956","0.0017","82.937","0.006","77.65","0.008","70.954","0.009","4133.7","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H22 F40 N8 O3 -","- C89 H22 F40 N8 O3 -","- C178 H44 F80 N16 O6 -","2","1","","Li, Chengjie; Zhang, Kai; Ishida, Masatoshi; Li, Qizhao; Shimomura, Keito; Baryshnikov, Glib; Li, Xin; Savage, Mathew; Wu, Xin-Yan; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu","Tripyrrin-armed isosmaragdyrins: synthesis, heterodinuclear coordination, and protonation-triggered helical inversion","Chemical Science","2020","11","10","2790","2795","10.1039/C9SC06197E","","","1.54187","CuKα","","0.2486","0.1453","","","0.2787","0.3435","","","","","","1.019","","","","has coordinates","257287","2020-10-21","18:00:00",""
"1557231","14.057","0.002","14.08","0.002","24.646","0.004","92.257","0.003","101.581","0.002","108.23","0.002","4511.4","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C97 H32 F40 N12 Ni O3 -","- C97 H32 F40 N12 Ni O3 -","- C194 H64 F80 N24 Ni2 O6 -","2","1","","Li, Chengjie; Zhang, Kai; Ishida, Masatoshi; Li, Qizhao; Shimomura, Keito; Baryshnikov, Glib; Li, Xin; Savage, Mathew; Wu, Xin-Yan; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu","Tripyrrin-armed isosmaragdyrins: synthesis, heterodinuclear coordination, and protonation-triggered helical inversion","Chemical Science","2020","11","10","2790","2795","10.1039/C9SC06197E","","","0.71075","MoKα","","0.102","0.0744","","","0.2149","0.2485","","","","","","1.05","","","","has coordinates","257287","2020-10-21","18:00:00",""
"1557232","14.0363","0.0012","14.1385","0.0015","24.8547","0.0018","91.904","0.001","101.174","0.002","107.743","0.002","4586.3","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H18 Cu F40 N8 Ni O3 -","- C89 H18 Cu F40 N8 Ni O3 -","- C178 H36 Cu2 F80 N16 Ni2 O6 -","2","1","","Li, Chengjie; Zhang, Kai; Ishida, Masatoshi; Li, Qizhao; Shimomura, Keito; Baryshnikov, Glib; Li, Xin; Savage, Mathew; Wu, Xin-Yan; Yang, Sihai; Furuta, Hiroyuki; Xie, Yongshu","Tripyrrin-armed isosmaragdyrins: synthesis, heterodinuclear coordination, and protonation-triggered helical inversion","Chemical Science","2020","11","10","2790","2795","10.1039/C9SC06197E","","","0.71075","MoKα","","0.1813","0.089","","","0.2021","0.2477","","","","","","0.92","","","","has coordinates","257287","2020-10-21","18:00:00",""
"1557234","10.4398","0.0008","18.5854","0.0015","16.9617","0.0014","90","","94.354","0.003","90","","3281.5","0.5","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C61 H90 Au2 Cl2 F12 N2 P2 Sb2 -","- C61 H90 Au2 Cl2 F12 N2 P2 Sb2 -","- C122 H180 Au4 Cl4 F24 N4 P4 Sb4 -","2","0.5","","Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier","Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes","Chemical Science","2020","11","10","2750","2758","10.1039/C9SC06398F","","","0.71073","MoKα","","0.0338","0.0257","","","0.0681","0.0718","","","","","","1.028","","","","has coordinates,has disorder","257289","2020-10-21","18:00:00",""
"1557235","10.9121","0.0011","17.7644","0.0018","19.509","0.002","90","","104.904","0.003","90","","3654.5","0.6","193","2","193","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C34 H50 Au Cl2 F6 N O P Sb -","- C34 H50 Au Cl2 F6 N O P Sb -","- C136 H200 Au4 Cl8 F24 N4 O4 P4 Sb4 -","4","1","","Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier","Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes","Chemical Science","2020","11","10","2750","2758","10.1039/C9SC06398F","","","0.71073","MoKα","","0.0392","0.0302","","","0.0736","0.079","","","","","","1.046","","","","has coordinates","257289","2020-10-21","18:00:00",""
"1557236","14.8546","0.0012","12.2517","0.0009","20.5946","0.0016","90","","99.848","0.003","90","","3692.9","0.5","193","2","193","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C33 H48 Au Cl2 F6 N O2 P Sb -","- C33 H48 Au Cl2 F6 N O2 P Sb -","- C132 H192 Au4 Cl8 F24 N4 O8 P4 Sb4 -","4","2","","Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier","Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes","Chemical Science","2020","11","10","2750","2758","10.1039/C9SC06398F","","","0.71073","MoKα","","0.0197","0.0192","","","0.0475","0.0478","","","","","","1.053","","","","has coordinates","257289","2020-10-21","18:00:00",""
"1557237","15.4212","0.0012","13.4652","0.0008","9.4134","0.0007","90","","102.515","0.004","90","","1908.2","0.2","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N4 O5 -","- C21 H20 N4 O5 -","- C84 H80 N16 O20 -","4","1","","Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier","Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes","Chemical Science","2020","11","10","2750","2758","10.1039/C9SC06398F","","","0.71073","MoKα","","0.143","0.0611","","","0.1452","0.1833","","","","","","1.053","","","","has coordinates,has disorder","257289","2020-10-21","18:00:00",""
"1557238","10.0221","0.0004","13.3021","0.0005","14.7578","0.0006","90","","95.633","0.002","90","","1957.94","0.13","193","2","193","2","","","","","","","","8","P 1 n 1","P -2yac","7","","","","- C29 H36 Au B10 Cl2 F6 P2 Sb -","- C29 H36 Au B10 Cl2 F6 P2 Sb -","- C58 H72 Au2 B20 Cl4 F12 P4 Sb2 -","2","1","","Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier","Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes","Chemical Science","2020","11","10","2750","2758","10.1039/C9SC06398F","","x-ray","1.54178","CuKα","","0.0325","0.0308","","","0.0755","0.0767","","","","","","1.036","","","","has coordinates","257289","2020-10-21","18:00:00",""
"1557239","10.7728","0.0007","11.143","0.0009","30.591","0.002","90","","98.974","0.005","90","","3627.2","0.4","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C38 H47 Au F6 N2 O2 P Sb -","- C38 H47 Au F6 N2 O2 P Sb -","- C152 H188 Au4 F24 N8 O8 P4 Sb4 -","4","1","","Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier","Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes","Chemical Science","2020","11","10","2750","2758","10.1039/C9SC06398F","","","0.71073","MoKα","","0.0529","0.0429","","","0.1024","0.1076","","","","","","1.079","","","","has coordinates,has disorder","257289","2020-10-21","18:00:00",""
"1557253","28.768","0.009","11.456","0.004","18.185","0.006","90","","90","","90","","5993","3","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H99 Am Br3 O3 P3 -","- C54 H99 Am Br3 O3 P3 -","- C216 H396 Am4 Br12 O12 P12 -","4","1","","Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E.","Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes","Chemical Science","2020","11","10","2770","2782","10.1039/C9SC05268B","","","0.71073","MoKα","","0.0606","0.0399","","","0.0787","0.0858","","","","","","1.081","","","","has coordinates","257288","2020-10-21","18:00:00",""
"1557254","28.7058","0.001","11.4228","0.0004","18.1359","0.0007","90","","90","","90","","5946.8","0.4","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H99 Br3 Nd O3 P3 -","- C54 H99 Br3 Nd O3 P3 -","- C216 H396 Br12 Nd4 O12 P12 -","4","1","","Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E.","Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes","Chemical Science","2020","11","10","2770","2782","10.1039/C9SC05268B","","","0.71073","MoKα","","0.0608","0.0405","","","0.068","0.0777","","","","","","1.037","","","","has coordinates","257288","2020-10-21","18:00:00",""
"1557255","28.92","0.005","11.434","0.002","18.209","0.003","90","","90","","90","","6021.2","1.8","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H99 Br3 Ce O3 P3 -","- C54 H99 Br3 Ce O3 P3 -","- C216 H396 Br12 Ce4 O12 P12 -","4","1","","Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E.","Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes","Chemical Science","2020","11","10","2770","2782","10.1039/C9SC05268B","","","0.71073","MoKα","","0.0499","0.0353","","","0.0663","0.0726","","","","","","1.057","","","","has coordinates","257288","2020-10-21","18:00:00",""
"1557256","28.879","0.0016","11.4223","0.0007","18.2083","0.001","90","","90","","90","","6006.3","0.6","130","2","130","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H99 Br3 La O3 P3 -","- C54 H99 Br3 La O3 P3 -","- C216 H396 Br12 La4 O12 P12 -","4","1","","Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E.","Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes","Chemical Science","2020","11","10","2770","2782","10.1039/C9SC05268B","","","0.71073","MoKα","","0.051","0.0348","","","0.0566","0.062","","","","","","1.093","","","","has coordinates","257288","2020-10-21","18:00:00",""
"1557257","28.7155","0.0012","11.4126","0.0004","18.1299","0.0008","90","","90","","90","","5941.5","0.4","120","2","120","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C54 H99 Br3 O3 P3 Pr -","- C54 H99 Br3 O3 P3 Pr -","- C216 H396 Br12 O12 P12 Pr4 -","4","1","","Windorff, Cory J.; Celis-Barros, Cristian; Sperling, Joseph M.; McKinnon, Noah C.; Albrecht-Schmitt, Thomas E.","Probing a variation of the inverse-trans-influence in americium and lanthanide tribromide tris(tricyclohexylphosphine oxide) complexes","Chemical Science","2020","11","10","2770","2782","10.1039/C9SC05268B","","","0.71073","MoKα","","0.0481","0.0317","","","0.0556","0.0617","","","","","","1.055","","","","has coordinates","257288","2020-10-21","18:00:00",""
"1557262","6.512","0.0002","15.336","0.0003","8.7541","0.0002","90","","111.502","0.003","90","","813.41","0.04","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 F O2 -","- C21 H21 F O2 -","- C42 H42 F2 O4 -","2","1","","Groves, Alistair; Sun, Jinwei; Parke, Hal R. I.; Callingham, Michael; Argent, Stephen P.; Taylor, Laurence J.; Lam, Hon Wai","Catalytic enantioselective arylative cyclizations of alkynyl 1,3-diketones by 1,4-rhodium(i) migration","Chemical Science","2020","11","10","2759","2764","10.1039/C9SC06309A","","x-ray","1.54184","CuKα","","0.0283","0.0283","","","0.0735","0.0735","","","","","","1.09","","","","has coordinates","257292","2020-10-21","18:00:00",""
"1557263","9.5439","0.0002","10.5734","0.0002","17.3218","0.0003","90","","90","","90","","1747.97","0.06","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 O2 -","- C22 H22 O2 -","- C88 H88 O8 -","4","1","","Groves, Alistair; Sun, Jinwei; Parke, Hal R. I.; Callingham, Michael; Argent, Stephen P.; Taylor, Laurence J.; Lam, Hon Wai","Catalytic enantioselective arylative cyclizations of alkynyl 1,3-diketones by 1,4-rhodium(i) migration","Chemical Science","2020","11","10","2759","2764","10.1039/C9SC06309A","","x-ray","1.54184","CuKα","","0.0511","0.0499","","","0.1346","0.1384","","","","","","1.132","","","","has coordinates","257292","2020-10-21","18:00:00",""
"1557270","16.5582","0.0003","8.7009","0.0001","16.729","0.0003","90","","111.858","0.002","90","","2236.9","0.07","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H30 Cl2 Co N3 O3 P -","- C17 H30 Cl2 Co N3 O3 P -","- C68 H120 Cl8 Co4 N12 O12 P4 -","4","1","","Xu, Yuechao; Zhao, Junyi; Gan, Qiao; Ying, Weilun; Hu, Zhonghan; Tang, Fuming; Luo, Wanwei; Luo, Yunjie; Jian, Zhongbao; Gong, Dirong","Synthesis and properties investigation of hydroxyl functionalized polyisoprene prepared by cobalt catalyzed co-polymerization of isoprene and hydroxylmyrcene","Polymer Chemistry","2020","11","12","2034","2043","10.1039/C9PY01808E","","x-ray","1.54184","CuKα","","0.0438","0.0354","","","0.0853","0.0881","","","","","","1.058","","","","has coordinates","257954","2020-10-21","18:00:00",""
"1557283","6.6601","0.0004","7.4588","0.0004","23.5097","0.0015","94.931","0.005","90.774","0.005","105.499","0.005","1120.43","0.12","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C25 H30 N4 O3 -","- C25 H30 N4 O3 -","- C50 H60 N8 O6 -","2","1","","Shi, Xiujuan; Yan, Neng; Niu, Guangle; Sung, Simon H. P.; Liu, Zhiyang; Liu, Junkai; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Wang, Wen-Xiong; Sung, Herman H.-Y.; Williams, Ian D.; Tang, Ben Zhong","In vivo monitoring of tissue regeneration using a ratiometric lysosomal AIE probe","Chemical Science","2020","11","12","3152","3163","10.1039/C9SC06226B","","x-ray","1.54184","CuKα","","0.0532","0.0394","","","0.0926","0.0981","","","","","","1.008","","","","has coordinates","257414","2020-10-21","18:00:00",""
"1557284","24.8686","0.0019","23.1581","0.0019","17.7369","0.0015","90","","98.907","0.003","90","","10091.7","1.4","299","2","299.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H44 Mn4 N12 O52 Si W12 -","- C60 H44 Mn4 N12 O52 Si W12 -","- C240 H176 Mn16 N48 O208 Si4 W48 -","4","0.5","","Du, Jing; Lang, Zhong-Ling; Ma, Yuan-Yuan; Tan, Hua-Qiao; Liu, Bai-Ling; Wang, Yong-Hui; Kang, Zhen-Hui; Li, Yang-Guang","Polyoxometalate-based electron transfer modulation for efficient electrocatalytic carbon dioxide reduction","Chemical Science","2020","11","11","3007","3015","10.1039/C9SC05392A","","","0.71073","MoKα","","0.0932","0.0548","","","0.1144","0.1432","","","","","","1.163","","","","has coordinates,has disorder","257404","2020-10-21","18:00:00",""
"1557285","13.034","0.0006","15.6737","0.0006","20.2719","0.0009","79.875","0.002","88.908","0.002","87.011","0.002","4071.1","0.3","273","2","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H39 Mn3 Mo12 N11 O49 P -","- C49 H39 Mn3 Mo12 N11 O49 P -","- C98 H78 Mn6 Mo24 N22 O98 P2 -","2","1","","Du, Jing; Lang, Zhong-Ling; Ma, Yuan-Yuan; Tan, Hua-Qiao; Liu, Bai-Ling; Wang, Yong-Hui; Kang, Zhen-Hui; Li, Yang-Guang","Polyoxometalate-based electron transfer modulation for efficient electrocatalytic carbon dioxide reduction","Chemical Science","2020","11","11","3007","3015","10.1039/C9SC05392A","","","0.71073","MoKα","","0.0955","0.0481","","","0.0871","0.107","","","","","","1.031","","","","has coordinates","257404","2020-10-21","18:00:00",""
"1557286","13.0328","0.0005","15.6142","0.0005","20.1424","0.0007","79.88","0.001","89.029","0.002","86.775","0.002","4028.6","0.2","173","2","173.15","","","","","","","","","7","P -1","-P 1","2","","","","- C49 H39 Mn3 N11 O49 P W12 -","- C49 H39 Mn3 N11 O49 P W12 -","- C98 H78 Mn6 N22 O98 P2 W24 -","2","1","","Du, Jing; Lang, Zhong-Ling; Ma, Yuan-Yuan; Tan, Hua-Qiao; Liu, Bai-Ling; Wang, Yong-Hui; Kang, Zhen-Hui; Li, Yang-Guang","Polyoxometalate-based electron transfer modulation for efficient electrocatalytic carbon dioxide reduction","Chemical Science","2020","11","11","3007","3015","10.1039/C9SC05392A","","","0.71073","MoKα","","0.0572","0.0395","","","0.0919","0.1033","","","","","","1.041","","","","has coordinates,has disorder","257404","2020-10-21","18:00:00",""
"1557287","9.0919","0.0005","9.9836","0.0005","11.7719","0.0005","90","","95.822","0.005","90","","1063.02","0.09","296.6","0.3","296.6","0.3","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C50 H44 N4 O6 -","2","1","","Zhang, Xiang; Li, Xiang; Li, Jun-Long; Wang, Qi-Wei; Zou, Wen-Lin; Liu, Yan-Qing; Jia, Zhi-Qiang; Peng, Fu; Han, Bo","Regiodivergent construction of medium-sized heterocycles from vinylethylene carbonates and allylidenemalononitriles","Chemical Science","2020","11","11","2888","2894","10.1039/C9SC06377C","","x-ray","1.54184","CuKα","","0.0573","0.0549","","","0.1433","0.1472","","","","","","1.042","","","","has coordinates","257408","2020-10-21","18:00:00",""
"1557288","9.6576","0.0005","13.2796","0.0009","17.3578","0.001","90","","99.745","0.005","90","","2194","0.2","295.4","0.4","295.4","0.4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N2 O3 -","- C25 H22 N2 O3 -","- C100 H88 N8 O12 -","4","1","","Zhang, Xiang; Li, Xiang; Li, Jun-Long; Wang, Qi-Wei; Zou, Wen-Lin; Liu, Yan-Qing; Jia, Zhi-Qiang; Peng, Fu; Han, Bo","Regiodivergent construction of medium-sized heterocycles from vinylethylene carbonates and allylidenemalononitriles","Chemical Science","2020","11","11","2888","2894","10.1039/C9SC06377C","","x-ray","1.54184","CuKα","","0.0752","0.0608","","","0.1748","0.194","","","","","","1.044","","","","has coordinates","257408","2020-10-21","18:00:00",""
"1557289","7.8691","0.0009","9.8641","0.0008","13.184","0.0009","87.285","0.006","85.531","0.008","74.852","0.009","984.41","0.16","225","100","225","100","","","","","","","","4","P -1","-P 1","2","","","","- C25 H22 N2 O3 -","- C25 H21 N2 O3 -","- C50 H42 N4 O6 -","2","1","","Zhang, Xiang; Li, Xiang; Li, Jun-Long; Wang, Qi-Wei; Zou, Wen-Lin; Liu, Yan-Qing; Jia, Zhi-Qiang; Peng, Fu; Han, Bo","Regiodivergent construction of medium-sized heterocycles from vinylethylene carbonates and allylidenemalononitriles","Chemical Science","2020","11","11","2888","2894","10.1039/C9SC06377C","","x-ray","1.54184","CuKα","","0.0877","0.0793","","","0.2132","0.2314","","","","","","1.04","","","","has coordinates,has disorder","257408","2020-10-21","18:00:00",""
"1557290","11.2724","0.0005","6.279","0.0004","12.5272","0.0007","90","","90","","90","","886.67","0.08","160","1","160","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-chlorotetrazine","","- C2 H Cl N4 -","- C2 H Cl N4 -","- C16 H8 Cl8 N32 -","8","1","","Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl","3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines","Chemical Science","2020","11","11","3042","3047","10.1039/C9SC06169J","","x-ray","1.54184","CuKα","","0.0285","0.0281","","","0.0768","0.0772","","","","","","1.096","","","","has coordinates","257409","2020-10-21","18:00:00",""
"1557291","10.7358","0.0003","5.14454","0.00012","14.9437","0.0004","90","","105.056","0.003","90","","797.02","0.04","160","2","160","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-phenoxy-s-tetrazine","","- C8 H6 N4 O -","- C8 H6 N4 O -","- C32 H24 N16 O4 -","4","1","","Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl","3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines","Chemical Science","2020","11","11","3042","3047","10.1039/C9SC06169J","","x-ray","0.71073","MoKα","","0.0445","0.0345","","","0.0801","0.0868","","","","","","1.048","","","","has coordinates","257409","2020-10-21","18:00:00",""
"1557292","38.7645","0.0003","11.93147","0.00014","7.70847","0.00008","90","","90","","90","","3565.3","0.06","160","2","160","2","","","","","","","","3","F d d 2","F 2 -2d","43","","1-(S-tetrazin-3-yl)-1H-indole","","- C10 H7 N5 -","- C10 H7 N5 -","- C160 H112 N80 -","16","1","","Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl","3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines","Chemical Science","2020","11","11","3042","3047","10.1039/C9SC06169J","","x-ray","1.54184","CuKα","","0.023","0.0228","","","0.0607","0.0608","","","","","","1.072","","","","has coordinates","257409","2020-10-21","18:00:00",""
"1557293","17.7417","0.0003","6.22991","0.00009","23.2377","0.0003","90","","93.9389","0.0013","90","","2562.38","0.07","160","2","160","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-(2-((3-nitropyridin-2-yl)disulfaneyl)ethyl)-1,2,4,5-tetrazin-3-amine","","- C9 H9 N7 O2 S2 -","- C9 H9 N7 O2 S2 -","- C72 H72 N56 O16 S16 -","8","1","","Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl","3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines","Chemical Science","2020","11","11","3042","3047","10.1039/C9SC06169J","","x-ray","0.71073","MoKα","","0.0309","0.0266","","","0.0674","0.0704","","","","","","1.06","","","","has coordinates","257409","2020-10-21","18:00:00",""
"1557294","12.7468","0.0005","5.60166","0.00019","12.9507","0.0004","90","","90","","90","","924.72","0.06","160","2","160","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-bromotetrazine","","- C2 H Br N4 -","- C2 H Br N4 -","- C16 H8 Br8 N32 -","8","1","","Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl","3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines","Chemical Science","2020","11","11","3042","3047","10.1039/C9SC06169J","","x-ray","1.54184","CuKα","","0.0189","0.0185","","","0.0512","0.0516","","","","","","1.101","","","","has coordinates","257409","2020-10-21","18:00:00",""
"1557295","32.663","0.002","5.161","0.0002","11.0162","0.0006","90","","94.704","0.005","90","","1850.79","0.17","160","2","160","2","","","","","","","","4","C 1 2 1","C 2y","5","","Boc-Tyr(Tet)-OMe","","- C17 H21 N5 O5 -","- C17 H21 N5 O5 -","- C68 H84 N20 O20 -","4","1","","Schnell, Simon D.; Hoff, Lukas V.; Panchagnula, Advaita; Wurzenberger, Maximilian H. H.; Klapötke, Thomas M.; Sieber, Simon; Linden, Anthony; Gademann, Karl","3-Bromotetrazine: labelling of macromolecules via monosubstituted bifunctional s-tetrazines","Chemical Science","2020","11","11","3042","3047","10.1039/C9SC06169J","","x-ray","1.54184","CuKα","","0.0664","0.0541","","","0.1433","0.1556","","","","","","1.039","","","","has coordinates","257409","2020-10-21","18:00:00",""
"1557296","9.6414","0.0005","13.3432","0.0007","19.6279","0.001","90","","95.4683","0.0019","90","","2513.6","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","germa-aluminocene","","- C22 H39 Al Ge Si2 -","- C22 H39 Al Ge Si2 -","- C88 H156 Al4 Ge4 Si8 -","4","1","","Albers, Lena; Tholen, Patrik; Schmidtmann, Marc; Müller, Thomas","A germaaluminocene","Chemical Science","2020","11","11","2982","2986","10.1039/D0SC00401D","","","0.71073","MoKα","","0.0336","0.0284","","","0.0792","0.0825","","","","","","1.092","","","","has coordinates,has disorder","257403","2020-10-21","18:00:00",""
"1557298","7.7012","0.0002","7.7746","0.0002","12.6751","0.0004","90","","90","","90","","758.91","0.04","297","2","297","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Zhou, Qing; Yang, Tianjia; Zhong, Zihao; Kausar, Fahmeeda; Wang, Ziyi; Zhang, Yongming; Yuan, Wang Zhang","A clustering-triggered emission strategy for tunable multicolor persistent phosphorescence","Chemical Science","2020","11","11","2926","2933","10.1039/C9SC06518K","","","1.54178","CuKα","","0.0287","0.0283","","","0.0804","0.081","","","","","","1.046","","","","has coordinates","257406","2020-10-21","18:00:00",""
"1557299","6.0826","0.0012","6.0826","0.0012","8.792","0.002","90","","90","","90","","325.29","0.12","298","2","298","2","","","","","","","","3","I -4","I -4","82","","","","- C5 H12 O4 -","- C5 H12 O4 -","- C10 H24 O8 -","2","0.25","","Zhou, Qing; Yang, Tianjia; Zhong, Zihao; Kausar, Fahmeeda; Wang, Ziyi; Zhang, Yongming; Yuan, Wang Zhang","A clustering-triggered emission strategy for tunable multicolor persistent phosphorescence","Chemical Science","2020","11","11","2926","2933","10.1039/C9SC06518K","","","1.54178","CuKα","","0.0354","0.0297","","","0.0801","0.0836","","","","","","1.024","","","","has coordinates","257406","2020-10-21","18:00:00",""
"1557300","5.6107","0.0001","9.1858","0.0002","12.5998","0.0003","90","","90","","90","","649.38","0.02","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C5 H10 O5 -","- C5 H10 O5 -","- C20 H40 O20 -","4","1","","Zhou, Qing; Yang, Tianjia; Zhong, Zihao; Kausar, Fahmeeda; Wang, Ziyi; Zhang, Yongming; Yuan, Wang Zhang","A clustering-triggered emission strategy for tunable multicolor persistent phosphorescence","Chemical Science","2020","11","11","2926","2933","10.1039/C9SC06518K","","","1.54178","CuKα","","0.0308","0.0302","","","0.1027","0.1031","","","","","","0.994","","","","has coordinates","257406","2020-10-21","18:00:00",""
"1557301","8.091","0.002","9.212","0.002","10.056","0.002","90","","90","","90","","749.5","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 O6 -","- C6 H12 O6 -","- C24 H48 O24 -","4","1","","Zhou, Qing; Yang, Tianjia; Zhong, Zihao; Kausar, Fahmeeda; Wang, Ziyi; Zhang, Yongming; Yuan, Wang Zhang","A clustering-triggered emission strategy for tunable multicolor persistent phosphorescence","Chemical Science","2020","11","11","2926","2933","10.1039/C9SC06518K","","","1.54178","CuKα","","0.0714","0.0656","","","0.1799","0.1864","","","","","","1.327","","","","has coordinates","257406","2020-10-21","18:00:00",""
"1557331","11.5721","0.0004","16.6408","0.0005","26.1539","0.0008","84.725","0.001","81.758","0.001","89.936","0.001","4962.9","0.3","160","2","160","2","","","","","","","","5","P -1","-P 1","2","rctt-2","","","- C203.82 H244.63 Cl7.63 N0 O40 -","- C203.778 H247.556 Cl7.556 O40 -","- C203.778 H247.556 Cl7.556 O40 -","1","0.5","","Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P.","Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes.","Chemical science","2020","11","10","2614","2620","10.1039/d0sc00651c","","","0.71073","MoKα","","0.0916","0.0698","","","0.1901","0.2105","","","","","","1.037","","","","has coordinates","250213","2020-10-21","18:00:00",""
"1557332","14.334","0.002","15.534","0.002","16.891","0.002","69.752","0.004","70.947","0.004","76.995","0.003","3308.6","0.7","113","2","113","2","","","","","","","","4","P 1","P 1","1","rcct-3","","","- C112.95 H130.95 Cl15.56 O28 -","- C112.956 H130.956 Cl15.578 O28 -","- C112.956 H130.956 Cl15.578 O28 -","1","1","","Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P.","Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes.","Chemical science","2020","11","10","2614","2620","10.1039/d0sc00651c","","","0.71073","MoKα","","0.141","0.1284","","","0.3328","0.3532","","","","","","1.636","","","","has coordinates,has disorder","250213","2020-10-21","18:00:00",""
"1557333","19.6983","0.0014","20.2034","0.0014","26.3162","0.0018","90","","97.77","0.002","90","","10377","1.3","163","2","163","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","rctt-2[Ox1]","","","- C106 H124 Cl6 O20 -","- C102.327 H119.327 Cl6.981 O20.243 -","- C409.308 H477.308 Cl27.924 O80.972 -","4","1","","Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P.","Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes.","Chemical science","2020","11","10","2614","2620","10.1039/d0sc00651c","","","0.710747","MoKα","","0.1573","0.1192","","","0.3589","0.3975","","","","","","1.517","","","","has coordinates","250213","2020-10-21","18:00:00",""
"1557334","21.532","0.003","19.643","0.003","25.299","0.004","90","","90.699","0.004","90","","10699","3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","rccc-2[Ox2]","","","- C108.36 H122.64 Cl2.26 O20 -","- C107.593 H121.799 Cl2.241 O20 -","- C430.372 H487.196 Cl8.964 O80 -","4","1","","Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P.","Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes.","Chemical science","2020","11","10","2614","2620","10.1039/d0sc00651c","","","0.71073","MoKα","","0.1886","0.1723","","","0.5178","0.5261","","","","","","2.407","","","","has coordinates,has disorder","250213","2020-10-21","18:00:00",""
"1557335","14.4911","0.0011","17.0462","0.0012","27.359","0.002","72.867","0.002","86.978","0.002","77.872","0.002","6313.8","0.8","113","2","113","2","","","","","","","","4","P -1","-P 1","2","rctt-3[Ox1]","","","- C116.82 H140.82 Cl8.45 O28 -","- C116.724 H141.724 Cl8.172 O28 -","- C233.448 H283.448 Cl16.344 O56 -","2","1","","Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P.","Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes.","Chemical science","2020","11","10","2614","2620","10.1039/d0sc00651c","","","0.71073","MoKα","","0.2175","0.1822","","","0.5018","0.5335","","","","","","2.209","","","","has coordinates","250213","2020-10-21","18:00:00",""
"1557336","13.0381","0.0003","16.6752","0.0004","17.4483","0.0004","61.711","0.001","79.037","0.001","74.295","0.001","3207.14","0.13","113","2","213","2","","","","","","","","3","P -1","-P 1","2","rctt-4","","","- C76 H74 O11 -","- C77 H76 O10 -","- C154 H152 O20 -","2","1","","Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P.","Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes.","Chemical science","2020","11","10","2614","2620","10.1039/d0sc00651c","","","0.71073","MoKα","","0.0986","0.0666","","","0.1778","0.204","","","","","","1.034","","","","has coordinates,has disorder","250213","2020-10-21","18:00:00",""
"1557337","21.154","0.005","19.669","0.005","25.429","0.007","90","","90.27","0.008","90","","10580","5","113","2","113","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","rccc-2","","","- C226.36 H257.54 O43.98 -","- C226.412 H257.64 O43.98 -","- C452.824 H515.28 O87.96 -","2","0.5","","Payne, Daniel T.; Webre, Whitney A.; Gobeze, Habtom B.; Seetharaman, Sairaman; Matsushita, Yoshitaka; Karr, Paul A.; Chahal, Mandeep K.; Labuta, Jan; Jevasuwan, Wipakorn; Fukata, Naoki; Fossey, John S.; Ariga, Katsuhiko; D'Souza, Francis; Hill, Jonathan P.","Nanomolecular singlet oxygen photosensitizers based on hemiquinonoid-resorcinarenes, the fuchsonarenes.","Chemical science","2020","11","10","2614","2620","10.1039/d0sc00651c","","","0.71073","MoKα","","0.2832","0.2119","","","0.5429","0.5675","","","","","","2.195","","","","has coordinates","250213","2020-10-21","18:00:00",""
"1557338","13.2696","0.0005","15.8873","0.0006","18.2435","0.0007","90","","93.3","0.002","90","","3839.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H53 B Eu N5 O17 -","- C31 H49 B Eu N5 O15 -","- C124 H196 B4 Eu4 N20 O60 -","4","1","","Breen, Colum; Pal, Robert; Elsegood, Mark R. J.; Teat, Simon J.; Iza, Felipe; Wende, Kristian; Buckley, Benjamin R.; Butler, Stephen J.","Time-resolved luminescence detection of peroxynitrite using a reactivity-based lanthanide probe","Chemical Science","2020","11","12","3164","3170","10.1039/C9SC06053G","","","0.7288","synchrotron","","0.0314","0.0267","","","0.0661","0.0694","","","","","","1.029","","","","has coordinates,has disorder","257417","2020-10-21","18:00:00",""
"1557341","8.5161","0.0005","10.575","0.0006","15.9557","0.0009","90","","90","","90","","1436.93","0.14","170","2","170","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 Cl0 N O2 -","- C15 H21 N O2 -","- C60 H84 N4 O8 -","4","1","","Lin, Qianchi; Hu, Bowen; Xu, Xi; Dong, Shunxi; Liu, Xiaohua; Feng, Xiaoming","Chiral N,N′-dioxide/Mg(OTf)2 complex-catalyzed asymmetric [2,3]-rearrangement of in situ generated ammonium salts","Chemical Science","2020","11","11","3068","3073","10.1039/C9SC06342K","","","1.54178","CuKα","","0.0314","0.0313","","","0.0922","0.0922","","","","","","1.024","","","","has coordinates","257407","2020-10-21","18:00:00",""
"1557360","5.6483","0.0005","9.0345","0.0007","9.1851","0.0009","90","","103.599","0.004","90","","455.57","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H14 N2 O4 -","- C8 H14 N2 O4 -","- C16 H28 N4 O8 -","2","0.5","","Blake, Timothy R.; Ho, Wilson C.; Turlington, Christopher R.; Zang, Xiaoyu; Huttner, Melanie A.; Wender, Paul A.; Waymouth, Robert M.","Synthesis and mechanistic investigations of pH-responsive cationic poly(aminoester)s","Chemical Science","2020","11","11","2951","2966","10.1039/C9SC05267D","","","0.71073","MoKα","","0.0376","0.0329","","","0.0896","0.0944","","","","","","1.072","","","","has coordinates","257405","2020-10-21","18:00:00",""
"1557371","7.1378","0.0002","9.8466","0.0002","14.7942","0.0003","88.9786","0.0016","79.0044","0.0017","74.6213","0.0019","983.56","0.04","93","2","93","2","","","","","","","","4","P 1","P 1","1","","(R)-2-hydroxy-2?-(2-pyridylmethyloxy)-3-formyl-1,1?-binaphthalene","","- C27 H19 N O3 -","- C27 H19 N O3 -","- C54 H38 N2 O6 -","2","2","","Sasaki, Yui; Kojima, Soya; Hamedpour, Vahid; Kubota, Riku; Takizawa, Shin-ya; Yoshikawa, Isao; Houjou, Hirohiko; Kubo, Yuji; Minami, Tsuyoshi","Accurate chiral pattern recognition for amines from just a single chemosensor","Chemical Science","2020","11","15","3790","3796","10.1039/D0SC00194E","","","0.71073","MoKα","","0.0368","0.0337","","","0.0904","0.0923","","","","","","1.076","","","","has coordinates","257387","2020-10-21","18:00:00",""
"1557372","21.4461","0.0012","8.4399","0.0004","7.3436","0.0004","90","","90","","90","","1329.21","0.12","296","2","296.15","","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C20 H12 S -","- C20 H12 S -","- C80 H48 S4 -","4","0.5","","Xu, Niansheng; Zheng, Aibin; Wei, Yuefang; Yuan, Yi; Zhang, Jing; Lei, Ming; Wang, Peng","D‒π‒D molecular semiconductors for perovskite solar cells: the superior role of helical versus planar π-linkers","Chemical Science","2020","11","13","3418","3426","10.1039/D0SC00362J","","","0.71073","MoKα","","0.0568","0.049","","","0.119","0.1277","","","","","","1.091","","","","has coordinates","257349","2020-10-21","18:00:00",""
"1557373","9.2973","0.0003","11.5371","0.0004","17.8524","0.0006","99.629","0.001","101.049","0.001","97.562","0.001","1826.25","0.11","170","2","169.99","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H36 N2 O4 S -","- C48 H36 N2 O4 S -","- C96 H72 N4 O8 S2 -","2","1","","Xu, Niansheng; Zheng, Aibin; Wei, Yuefang; Yuan, Yi; Zhang, Jing; Lei, Ming; Wang, Peng","D‒π‒D molecular semiconductors for perovskite solar cells: the superior role of helical versus planar π-linkers","Chemical Science","2020","11","13","3418","3426","10.1039/D0SC00362J","","","0.71073","MoKα","","0.0566","0.0453","","","0.1154","0.1241","","","","","","1.023","","","","has coordinates","257349","2020-10-21","18:00:00",""
"1557374","10.5796","0.0014","13.7266","0.0018","14.368","0.0018","85.956","0.005","83.941","0.005","82.064","0.005","2051.7","0.5","170","2","170.01","","","","","","","","","6","P -1","-P 1","2","","","","- C97 H78 Cl2 N4 O8 S2 -","- C97 H78 Cl2 N4 O8 S2 -","- C97 H78 Cl2 N4 O8 S2 -","1","0.5","","Xu, Niansheng; Zheng, Aibin; Wei, Yuefang; Yuan, Yi; Zhang, Jing; Lei, Ming; Wang, Peng","D‒π‒D molecular semiconductors for perovskite solar cells: the superior role of helical versus planar π-linkers","Chemical Science","2020","11","13","3418","3426","10.1039/D0SC00362J","","","0.71073","MoKα","","0.1839","0.1059","","","0.3102","0.3784","","","","","","1.126","","","","has coordinates,has disorder","257349","2020-10-21","18:00:00",""
"1557376","10.8116","0.0005","14.4381","0.0006","14.9803","0.0007","90","","96.596","0.002","90","","2322.93","0.18","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Au2 Fe N6 -","- C22 H14 Au2 Fe N6 -","- C88 H56 Au8 Fe4 N24 -","4","1","","Chen, Yan-Cong; Meng, Yan; Dong, Yan-Jie; Song, Xiao-Wei; Huang, Guo-Zhang; Zhang, Chuan-Lei; Ni, Zhao-Ping; Navařík, Jakub; Malina, Ondřej; Zbořil, Radek; Tong, Ming-Liang","Light- and temperature-assisted spin state annealing: accessing the hidden multistability","Chemical Science","2020","11","12","3281","3289","10.1039/C9SC05971G","","x-ray","0.71073","MoKα","","0.0366","0.0301","","","0.0704","0.0745","","","","","","1.077","","","","has coordinates","257415","2020-10-21","18:00:00",""
"1557377","10.7397","0.0012","14.1109","0.0014","14.679","0.0016","90","","95.98","0.003","90","","2212.5","0.4","80","2","80","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Au2 Fe N6 -","- C22 H14 Au2 Fe N6 -","- C88 H56 Au8 Fe4 N24 -","4","1","","Chen, Yan-Cong; Meng, Yan; Dong, Yan-Jie; Song, Xiao-Wei; Huang, Guo-Zhang; Zhang, Chuan-Lei; Ni, Zhao-Ping; Navařík, Jakub; Malina, Ondřej; Zbořil, Radek; Tong, Ming-Liang","Light- and temperature-assisted spin state annealing: accessing the hidden multistability","Chemical Science","2020","11","12","3281","3289","10.1039/C9SC05971G","","x-ray","0.71073","MoKα","","0.1056","0.0676","","","0.1345","0.1487","","","","","","1.107","","","","has coordinates","257415","2020-10-21","18:00:00",""
"1557378","10.7739","0.0005","13.9861","0.0006","14.5762","0.0007","90","","95.77","0.002","90","","2185.28","0.17","80","2","80","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Au2 Fe N6 -","- C22 H14 Au2 Fe N6 -","- C88 H56 Au8 Fe4 N24 -","4","1","","Chen, Yan-Cong; Meng, Yan; Dong, Yan-Jie; Song, Xiao-Wei; Huang, Guo-Zhang; Zhang, Chuan-Lei; Ni, Zhao-Ping; Navařík, Jakub; Malina, Ondřej; Zbořil, Radek; Tong, Ming-Liang","Light- and temperature-assisted spin state annealing: accessing the hidden multistability","Chemical Science","2020","11","12","3281","3289","10.1039/C9SC05971G","","x-ray","0.71073","MoKα","","0.0499","0.0391","","","0.0809","0.0865","","","","","","1.162","","","","has coordinates","257415","2020-10-21","18:00:00",""
"1557379","10.7701","0.001","14.1621","0.0012","14.7425","0.0013","90.082","0.003","96.077","0.003","90.471","0.003","2235.9","0.3","80","2","80.09","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H14 Au2 Fe N6 -","- C22 H14 Au2 Fe N6 -","- C88 H56 Au8 Fe4 N24 -","4","2","","Chen, Yan-Cong; Meng, Yan; Dong, Yan-Jie; Song, Xiao-Wei; Huang, Guo-Zhang; Zhang, Chuan-Lei; Ni, Zhao-Ping; Navařík, Jakub; Malina, Ondřej; Zbořil, Radek; Tong, Ming-Liang","Light- and temperature-assisted spin state annealing: accessing the hidden multistability","Chemical Science","2020","11","12","3281","3289","10.1039/C9SC05971G","","x-ray","0.71073","MoKα","","0.0955","0.0909","","","0.2265","0.2285","","","","","","1.349","","","","has coordinates","257415","2020-10-21","18:00:00",""
"1557380","12.5252","0.0009","16.8071","0.0012","12.9207","0.0011","90","","90.786","0.002","90","","2719.7","0.4","153","2","153","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C60 H56 B2 F8 N2 O8 -","- C60 H56 B2 F7.852 N2 O8 -","- C120 H112 B4 F15.704 N4 O16 -","2","1","","Kim, Inwon; Im, Honggu; Lee, Hyeonyeong; Hong, Sungwoo","N-Heterocyclic carbene-catalyzed deaminative cross-coupling of aldehydes with Katritzky pyridinium salts","Chemical Science","2020","11","12","3192","3197","10.1039/D0SC00225A","","","0.71073","MoKα","","0.1604","0.0998","","","0.244","0.2992","","","","","","1.036","","","","has coordinates,has disorder","257416","2020-10-21","18:00:00",""
"1557381","9.3351","0.0006","20.6304","0.0013","9.7275","0.0006","90","","105.289","0.002","90","","1807.1","0.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O2 -","- C23 H23 N O2 -","- C92 H92 N4 O8 -","4","1","","Kim, Inwon; Im, Honggu; Lee, Hyeonyeong; Hong, Sungwoo","N-Heterocyclic carbene-catalyzed deaminative cross-coupling of aldehydes with Katritzky pyridinium salts","Chemical Science","2020","11","12","3192","3197","10.1039/D0SC00225A","","","0.71073","MoKα","","0.1079","0.0841","","","0.1306","0.1379","","","","","","1.202","","","","has coordinates","257416","2020-10-21","18:00:00",""
"1557382","11.0604","0.0006","16.678","0.0009","15.1704","0.0008","90","","100.639","0.002","90","","2750.3","0.3","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 B F4 N O2 -","- C33 H28 B F4 N O2 -","- C132 H112 B4 F16 N4 O8 -","4","1","","Kim, Inwon; Im, Honggu; Lee, Hyeonyeong; Hong, Sungwoo","N-Heterocyclic carbene-catalyzed deaminative cross-coupling of aldehydes with Katritzky pyridinium salts","Chemical Science","2020","11","12","3192","3197","10.1039/D0SC00225A","","","0.71073","MoKα","","0.0531","0.0418","","","0.0963","0.1035","","","","","","1.03","","","","has coordinates,has disorder","257416","2020-10-21","18:00:00",""
"1557383","9.2314","0.0005","19.6394","0.0011","19.9121","0.001","90","","93.605","0.002","90","","3602.9","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C160 H168 N8 O32 -","8","2","","Kim, Inwon; Im, Honggu; Lee, Hyeonyeong; Hong, Sungwoo","N-Heterocyclic carbene-catalyzed deaminative cross-coupling of aldehydes with Katritzky pyridinium salts","Chemical Science","2020","11","12","3192","3197","10.1039/D0SC00225A","","","0.71073","MoKα","","0.142","0.0892","","","0.1397","0.1553","","","","","","1.144","","","","has coordinates,has disorder","257416","2020-10-21","18:00:00",""
"1557384","8.497","0.003","13.357","0.005","13.775","0.005","90","","85.689","0.014","90","","1559","1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 F2 O2 S -","- C17 H18 F2 O2 S -","- C68 H72 F8 O8 S4 -","4","1","","Huang, Xin; Zhang, Yage; Liang, Weijian; Zhang, Qifeng; Zhan, Yaling; Kong, Lichun; Peng, Bo","Dearomatization of aryl sulfoxides: a switch between mono- and dual-difluoroalkylation","Chemical Science","2020","11","11","3048","3053","10.1039/D0SC00244E","","","0.71073","MoKα","","","0.0712","","","0.1506","0.2022","","","","","","1.011","","","","has coordinates","257402","2020-10-21","18:00:00",""
"1557385","10.2309","0.0005","13.2445","0.0005","13.5012","0.0006","66.799","0.001","70.33","0.001","75.627","0.001","1569.19","0.12","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H29 Cl F4 O4 S2 -","- C33 H29 Cl F4 O4 S2 -","- C66 H58 Cl2 F8 O8 S4 -","2","1","","Huang, Xin; Zhang, Yage; Liang, Weijian; Zhang, Qifeng; Zhan, Yaling; Kong, Lichun; Peng, Bo","Dearomatization of aryl sulfoxides: a switch between mono- and dual-difluoroalkylation","Chemical Science","2020","11","11","3048","3053","10.1039/D0SC00244E","","","0.71073","MoKα","","","0.0537","","","0.1584","0.1818","","","","","","1.021","","","","has coordinates","257402","2020-10-21","18:00:00",""
"1557394","6.2309","0.0007","7.4169","0.0008","13.0054","0.0015","90","","90.1686","0.0018","90","","601.03","0.12","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3-([1,1'-biphenyl]-4-yl)dihydrofuran-2(3H)-one","","- C16 H14 O2 -","- C16 H14 O2 -","- C32 H28 O4 -","2","1","","Liu, Lei; Lee, Wes; Yuan, Mingbin; Acha, Chris; Geherty, Michael B.; Williams, Brandon; Gutierrez, Osvaldo","Intra- and intermolecular Fe-catalyzed dicarbofunctionalization of vinyl cyclopropanes","Chemical Science","2020","11","12","3146","3151","10.1039/D0SC00467G","","","0.71073","MoKα","","0.0424","0.0364","","","0.0709","0.0725","","","","","","1","","","","has coordinates","257410","2020-10-21","18:00:00",""
"1557395","22.979","0.005","22.979","0.005","15.496","0.004","90","","90","","120","","7086","3","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C102 H68 N18 O27 Zn8 -","- C102 H68.0004 N18 O27 Zn8 -","- C306 H204.001 N54 O81 Zn24 -","3","0.166667","","Chen, Sheng-Chun; Zhang, Fei-Hang; Huang, Kun-Lin; Tian, Feng; Zhang, Zhi-Hui; Zhou, Renxian; Feng, Xue-Jun; Zhou, Xiaoying; He, Ming-Yang; Gu, Jiande; Chen, Qun; Wu, Chuan-De","The crucial roles of guest water in a biocompatible coordination network in the catalytic ring-opening polymerization of cyclic esters: a new mechanistic perspective","Chemical Science","2020","11","12","3345","3354","10.1039/C9SC06024C","","","0.71073","MoKα","","0.0825","0.0627","","","0.1507","0.1594","","","","","","1.192","","","","has coordinates","257411","2020-10-21","18:00:00",""
"1557396","16.2062","0.0011","8.1904","0.0004","17.137","0.0007","90","","91.218","0.005","90","","2274.2","0.2","150","0.3","150","0.3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 B Br -","- C30 H26 B Br -","- C120 H104 B4 Br4 -","4","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","0.71073","MoKα","","0.0994","0.0516","","","0.1045","0.1251","","","","","","1.018","","","","has coordinates","257413","2020-10-21","18:00:00",""
"1557397","8.4803","0.0005","9.1672","0.0005","19.9099","0.0011","80.254","0.004","85.195","0.005","68.593","0.005","1419.82","0.15","150.03","0.13","150.03","0.13","","","","","","","","4","P -1","-P 1","2","","","","- C36 H36 B Br -","- C36 H36 B Br -","- C72 H72 B2 Br2 -","2","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","1.54184","CuKα","","0.0551","0.0442","","","0.119","0.1259","","","","","","1.068","","","","has coordinates","257413","2020-10-21","18:00:00",""
"1557398","6.4265","0.0004","15.8695","0.001","20.617","0.0011","90","","97.511","0.005","90","","2084.6","0.2","120.01","0.1","120.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 B Br O2 -","- C22 H26 B Br O2 -","- C88 H104 B4 Br4 O8 -","4","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","0.71073","MoKα","","0.0689","0.0481","","","0.0809","0.0877","","","","","","1.069","","","","has coordinates,has disorder","257413","2020-10-21","18:00:00",""
"1557399","9.4752","0.0004","9.8107","0.0004","15.1088","0.0006","93.579","0.003","100.145","0.003","90.47","0.003","1379.57","0.1","150.03","0.1","150.03","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C62 H78 B2 Br2 -","- C62 H78 B2 Br2 -","- C62 H78 B2 Br2 -","1","0.5","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","1.54184","CuKα","","0.0426","0.0376","","","0.092","0.0954","","","","","","1.116","","","","has coordinates","257413","2020-10-21","18:00:00",""
"1557400","20.7096","0.0003","6.4384","0.0001","15.5735","0.0002","90","","90","","90","","2076.52","0.05","120.01","0.1","120.01","0.1","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H26 B Br O2 -","- C22 H26 B Br O2 -","- C88 H104 B4 Br4 O8 -","4","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","1.54184","CuKα","","0.044","0.0438","","","0.1085","0.1089","","","","","","1.045","","","","has coordinates","257413","2020-10-21","18:00:00",""
"1557401","13.2781","0.0003","5.936","0.0001","18.4485","0.0004","90","","100.58","0.002","90","","1429.37","0.05","170","2","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 B Br3 -","- C14 H10 B Br3 -","- C56 H40 B4 Br12 -","4","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","0.71073","MoKα","","0.0453","0.0309","","","0.0661","0.0706","","","","","","1.13","","","","has coordinates","257413","2020-10-21","18:00:00",""
"1557402","42.071","0.003","29.3977","0.001","6.6541","0.0002","90","","90","","90","","8229.7","0.7","120.01","0.1","120.01","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C44 H42 B2 Br2 O2 -","- C44 H42 B2 Br2 O2 -","- C352 H336 B16 Br16 O16 -","8","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","1.54184","CuKα","","0.1173","0.0907","","","0.2404","0.258","","","","","","1.129","","","","has coordinates","257413","2020-10-21","18:00:00",""
"1557403","16.0697","0.0011","19.1015","0.0011","7.184","0.0005","90","","99.697","0.006","90","","2173.7","0.2","270","0.1","270","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 B Br O -","- C28 H22 B Br O -","- C112 H88 B4 Br4 O4 -","4","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","0.71073","MoKα","","0.0908","0.0513","","","0.0946","0.108","","","","","","1.065","","","","has coordinates","257413","2020-10-21","18:00:00",""
"1557404","8.0182","0.0003","16.5443","0.0007","17.4491","0.0008","64.933","0.004","86.117","0.003","77.027","0.003","2042.2","0.17","99.8","0.5","99.8","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C100 H108 B4 Br4 -","- C100 H108 B4 Br4 -","- C100 H108 B4 Br4 -","1","0.5","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","1.54184","CuKα","","0.0552","0.0457","","","0.1204","0.1272","","","","","","1.044","","","","has coordinates,has disorder","257413","2020-10-21","18:00:00",""
"1557405","9.836","0.002","10.894","0.002","14.514","0.003","82.02","0.03","73.02","0.03","71.06","0.03","1405.2","0.6","120","0.1","120","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C62 H56 B2 Br2 -","- C62 H56 B2 Br2 -","- C62 H56 B2 Br2 -","1","0.5","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","x-ray","0.71073","MoKα","","0.1034","0.0698","","","0.1328","0.1467","","","","","","1.02","","","","has coordinates,has disorder","257413","2020-10-21","18:00:00",""
"1557406","13.45","0.003","14.624","0.003","15.214","0.003","91.36","0.03","92.15","0.03","116.43","0.03","2675.1","1.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H68 B2 Br2 -","- C58 H54 B2 Br2 -","- C116 H108 B4 Br4 -","2","1","","Yuan, K.; Kahan, R. J.; Si, C.; Williams, A.; Kirschner, S.; Uzelac, M.; Zysman-Colman, E.; Ingleson, M. J.","The synthesis of brominated-boron-doped PAHs by alkyne 1,1-bromoboration: mechanistic and functionalisation studies","Chemical Science","2020","11","12","3258","3267","10.1039/C9SC05404A","","","0.71073","MoKα","","0.0889","0.0668","","","0.1815","0.1948","","","","","","1.032","","","","has coordinates,has disorder","257413","2020-10-21","18:00:00",""
"1557407","9.7165","0.0004","13.0789","0.0008","16.8043","0.0008","76.357","0.005","79.83","0.004","85.53","0.004","2041.18","0.19","150","2","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C45.5 H56 N2 O2 Zn -","- C45.5 H55.5 N2 O2 Zn -","- C91 H111 N4 O4 Zn2 -","2","1","","Payne, Jack; McKeown, Paul; Mahon, Mary F.; Emanuelsson, Emma A. C.; Jones, Matthew D.","Mono- and dimeric zinc(ii) complexes for PLA production and degradation into methyl lactate ‒ a chemical recycling method","Polymer Chemistry","2020","11","13","2381","2389","10.1039/D0PY00192A","","x-ray","1.54184","CuKα","","0.0596","0.0536","","","0.1494","0.157","","","","","","1.018","","","","has coordinates","257943","2020-10-21","18:00:00",""
"1557408","9.4634","0.0002","12.7656","0.0002","11.441","0.0002","90","","105.049","0.002","90","","1334.74","0.04","150","2","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H30 N2 O2 Zn2 -","- C30 H30 N2 O2 Zn2 -","- C60 H60 N4 O4 Zn4 -","2","0.5","","Payne, Jack; McKeown, Paul; Mahon, Mary F.; Emanuelsson, Emma A. C.; Jones, Matthew D.","Mono- and dimeric zinc(ii) complexes for PLA production and degradation into methyl lactate ‒ a chemical recycling method","Polymer Chemistry","2020","11","13","2381","2389","10.1039/D0PY00192A","","x-ray","1.54184","CuKα","","0.0388","0.0365","","","0.0968","0.0996","","","","","","1.07","","","","has coordinates","257943","2020-10-21","18:00:00",""
"1557409","9.4398","0.0007","10.7434","0.0008","12.1939","0.001","67.141","0.007","68.745","0.007","77.707","0.007","1058.27","0.16","150","2","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 N2 O2 Zn -","- C26 H20 N2 O2 Zn -","- C52 H40 N4 O4 Zn2 -","2","1","","Payne, Jack; McKeown, Paul; Mahon, Mary F.; Emanuelsson, Emma A. C.; Jones, Matthew D.","Mono- and dimeric zinc(ii) complexes for PLA production and degradation into methyl lactate ‒ a chemical recycling method","Polymer Chemistry","2020","11","13","2381","2389","10.1039/D0PY00192A","","x-ray","1.54184","CuKα","","0.0323","0.0298","","","0.08","0.0822","","","","","","1","","","","has coordinates","257943","2020-10-21","18:00:00",""
"1557410","8.3728","0.0004","13.2623","0.0005","13.5714","0.0007","90","","97.625","0.005","90","","1493.68","0.12","150","2","150.02","0.19","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 Cl4 N2 O2 Zn2 -","- C30 H26 Cl4 N2 O2 Zn2 -","- C60 H52 Cl8 N4 O4 Zn4 -","2","0.5","","Payne, Jack; McKeown, Paul; Mahon, Mary F.; Emanuelsson, Emma A. C.; Jones, Matthew D.","Mono- and dimeric zinc(ii) complexes for PLA production and degradation into methyl lactate ‒ a chemical recycling method","Polymer Chemistry","2020","11","13","2381","2389","10.1039/D0PY00192A","","x-ray","0.71073","MoKα","","0.0445","0.0327","","","0.0685","0.0733","","","","","","1.034","","","","has coordinates","257943","2020-10-21","18:00:00",""
"1557411","11.4229","0.0006","11.7375","0.0006","13.3309","0.0006","65.684","0.005","83.729","0.004","66.409","0.005","1489.37","0.16","150","2","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C33 H24 Cl4 N2 O2 Zn -","- C33 H24 Cl4 N2 O2 Zn -","- C66 H48 Cl8 N4 O4 Zn2 -","2","1","","Payne, Jack; McKeown, Paul; Mahon, Mary F.; Emanuelsson, Emma A. C.; Jones, Matthew D.","Mono- and dimeric zinc(ii) complexes for PLA production and degradation into methyl lactate ‒ a chemical recycling method","Polymer Chemistry","2020","11","13","2381","2389","10.1039/D0PY00192A","","x-ray","1.54184","CuKα","","0.0289","0.0268","","","0.0679","0.0699","","","","","","1.031","","","","has coordinates","257943","2020-10-21","18:00:00",""
"1557412","25.1264","0.0008","18.5514","0.0005","18.1043","0.0005","90","","90.301","0.003","90","","8438.8","0.4","150","2","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H62 N2 O2 Zn2 -","- C46 H62 N2 O2 Zn2 -","- C368 H496 N16 O16 Zn16 -","8","2","","Payne, Jack; McKeown, Paul; Mahon, Mary F.; Emanuelsson, Emma A. C.; Jones, Matthew D.","Mono- and dimeric zinc(ii) complexes for PLA production and degradation into methyl lactate ‒ a chemical recycling method","Polymer Chemistry","2020","11","13","2381","2389","10.1039/D0PY00192A","","x-ray","1.54184","CuKα","","0.0533","0.0468","","","0.1285","0.1338","","","","","","1.101","","","","has coordinates","257943","2020-10-21","18:00:00",""
"1557428","10.6898","0.0007","11.775","0.0008","11.9913","0.0007","71.708","0.002","65.4407","0.0019","89.239","0.002","1291.4","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 N2 O2 P -","- C33 H27 N2 O2 P -","- C66 H54 N4 O4 P2 -","2","1","","Zhuang, Zeyan; Dai, Jun; Yu, Maoxing; Li, Jianqing; Shen, Pingchuan; Hu, Rong; Lou, Xiaoding; Zhao, Zujin; Tang, Ben Zhong","Type I photosensitizers based on phosphindole oxide for photodynamic therapy: apoptosis and autophagy induced by endoplasmic reticulum stress","Chemical Science","2020","11","13","3405","3417","10.1039/D0SC00785D","","","0.71073","MoKα","","0.0899","0.0597","","","0.1164","0.1316","","","","","","1.038","","","","has coordinates","257350","2020-10-21","18:00:00",""
"1557429","9.1957","0.0006","10.841","0.0007","13.3381","0.0008","100.85","0.002","100.343","0.002","93.057","0.002","1279.46","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H27 N2 O2 P -","- C33 H27 N2 O2 P -","- C66 H54 N4 O4 P2 -","2","1","","Zhuang, Zeyan; Dai, Jun; Yu, Maoxing; Li, Jianqing; Shen, Pingchuan; Hu, Rong; Lou, Xiaoding; Zhao, Zujin; Tang, Ben Zhong","Type I photosensitizers based on phosphindole oxide for photodynamic therapy: apoptosis and autophagy induced by endoplasmic reticulum stress","Chemical Science","2020","11","13","3405","3417","10.1039/D0SC00785D","","","0.71073","MoKα","","0.1091","0.0499","","","0.0814","0.0961","","","","","","1.05","","","","has coordinates,has disorder","257350","2020-10-21","18:00:00",""
"1557430","40.6116","0.0006","14.3027","0.0002","43.1791","0.0009","90","","108.163","0.002","90","","23831.1","0.7","120","0.1","120","0.1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C228 H104 B4 Cl4 F96 N12 O2 Pd2 -","- C228 H104 B4 Cl4 F96 N12 O2 Pd2 -","- C912 H416 B16 Cl16 F384 N48 O8 Pd8 -","4","0.5","","Martí-Centelles, Vicente; Spicer, Rebecca L.; Lusby, Paul J.","Non-covalent allosteric regulation of capsule catalysis","Chemical Science","2020","11","12","3236","3240","10.1039/D0SC00341G","","x-ray","1.54178","CuKα","","0.103","0.0936","","","0.2484","0.2569","","","","","","1.103","","","","has coordinates,has disorder","257418","2020-10-21","18:00:00",""
"1557435","9.8085","0.0005","8.9262","0.0004","21.7277","0.0009","90","","99.222","0.005","90","","1877.73","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 B N2 O5 -","- C20 H19 B N2 O5 -","- C80 H76 B4 N8 O20 -","4","1","","Williams, Alexander F.; White, Andrew J. P.; Spivey, Alan C.; Cordier, Christopher J.","meta-Selective C‒H functionalisation of aryl boronic acids directed by a MIDA-derived boronate ester","Chemical Science","2020","11","12","3301","3306","10.1039/D0SC00230E","","","0.71073","MoKα","","0.0648","0.0439","","","0.0895","0.1012","","","","","","1.044","","","","has coordinates","257412","2020-10-21","18:00:00",""
"1557437","23.302","0.005","23.302","0.005","21.347","0.004","90","0.03","90","0.03","120","0.03","10038","5","173","2","173","2","","","","","","","","8","P 63","P 6c","173","","","","- C172 H168 Ca F21 N24 O30 Rh6 S7 -","- C169 H168 Ca F12 N24 O21 Rh6 S4 -","- C338 H336 Ca2 F24 N48 O42 Rh12 S8 -","2","0.333333","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","s-Block metal ions induce structural transformations between figure-eight and double trefoil knots","Chemical Science","2020","11","5","1226","1232","10.1039/C9SC05796J","","","1.34138","GaKα","","0.0576","0.0545","","","0.1565","0.1621","","","","","","1.068","","","","has coordinates,has disorder","257310","2020-10-21","18:00:00",""
"1557438","22.5096","0.0015","25.221","0.002","39.36","0.003","72.977","0.003","89.886","0.004","76.76","0.004","20747","3","173","2","173","","","","","","","","","8","P -1","-P 1","2","","","","- C333 H250 F35 K2 N99 O100 Rh12 S7 -","- C335 F24 K2 N48 O43 Rh12 S8 -","- C670 F48 K4 N96 O86 Rh24 S16 -","2","1","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","s-Block metal ions induce structural transformations between figure-eight and double trefoil knots","Chemical Science","2020","11","5","1226","1232","10.1039/C9SC05796J","","","1.34139","GaKα","","0.2025","0.1885","","","0.4726","0.4884","","","","","","2.124","","","","has coordinates,has disorder","257310","2020-10-21","18:00:00",""
"1557439","22.673","0.005","22.673","0.005","20.482","0.004","90","0.03","90","0.03","120","0.03","9118","4","173","2","173","2","","","","","","","","8","P 63","P 6c","173","","","","- C170 H185 F24 N24 O34.5 Rh6 S8 Sr -","- C170 H168 F24 N24 O34.5 Rh6 S8 Sr -","- C340 H336 F48 N48 O69 Rh12 S16 Sr2 -","2","0.333333","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","s-Block metal ions induce structural transformations between figure-eight and double trefoil knots","Chemical Science","2020","11","5","1226","1232","10.1039/C9SC05796J","","","1.34138","GaKα","","0.1205","0.0868","","","0.1834","0.2097","","","","","","1.053","","","","has coordinates","257310","2020-10-21","18:00:00",""
"1557440","22.564","0.003","22.564","0.003","20.375","0.003","90","","90","","120","","8984","2","173","2","173","2","","","","","","","","8","P 63","P 6c","173","","","","- C173 H189 F24 N24 O37.5 Rh6 S8 Sr -","- C173 H168 F24 N24 O34.5 Rh6 S8 Sr -","- C346 H336 F48 N48 O69 Rh12 S16 Sr2 -","2","0.333333","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","s-Block metal ions induce structural transformations between figure-eight and double trefoil knots","Chemical Science","2020","11","5","1226","1232","10.1039/C9SC05796J","","","1.34138","GaKα","","0.1109","0.1065","","","0.3181","0.3222","","","","","","1.075","","","","has coordinates","257310","2020-10-21","18:00:00",""
"1557441","72.911","0.005","20.9282","0.0014","33.246","0.002","90","","106.419","0.002","90","","48661","6","173","2","173.05","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C190 H252 Ba2 F30 N24 O60 Rh6 S14 -","- C175 H184 Ba2 F18 N24 O32 Rh6 S7 -","- C1400 H1472 Ba16 F144 N192 O256 Rh48 S56 -","8","1","","Dang, Li-Long; Gao, Xiang; Lin, Yue-Jian; Jin, Guo-Xin","s-Block metal ions induce structural transformations between figure-eight and double trefoil knots","Chemical Science","2020","11","5","1226","1232","10.1039/C9SC05796J","","","1.34138","GaKα","","0.1012","0.0929","","","0.2998","0.313","","","","","","1.346","","","","has coordinates,has disorder","257310","2020-10-21","18:00:00",""
"1557442","14.557","0.003","10.2366","0.0005","8.2137","0.0014","90","","141.27","0.04","90","","765.8","0.7","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 N2 Ni O2 -","- C16 H20 N2 Ni O2 -","- C32 H40 N4 Ni2 O4 -","2","0.5","","Fisher, Katherine J.; Feuer, Margalit L.; Lant, Hannah M. C.; Mercado, Brandon Q.; Crabtree, Robert H.; Brudvig, Gary W.","Concerted proton-electron transfer oxidation of phenols and hydrocarbons by a high-valent nickel complex.","Chemical science","2020","11","6","1683","1690","10.1039/c9sc05565g","","","1.54184","CuKα","","0.0318","0.0281","","","0.0708","0.0733","","","","","","1.048","","","","has coordinates","250230","2020-10-21","18:00:00",""
"1557443","8.3939","0.0004","14.9329","0.0008","8.7611","0.0006","90","","108.791","0.008","90","","1039.63","0.11","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 N2 Ni O6 -","- C20 H28 N2 Ni O6 -","- C40 H56 N4 Ni2 O12 -","2","0.5","","Fisher, Katherine J.; Feuer, Margalit L.; Lant, Hannah M. C.; Mercado, Brandon Q.; Crabtree, Robert H.; Brudvig, Gary W.","Concerted proton-electron transfer oxidation of phenols and hydrocarbons by a high-valent nickel complex.","Chemical science","2020","11","6","1683","1690","10.1039/c9sc05565g","","","0.71075","MoKα","","0.0538","0.0418","","","0.08","0.0846","","","","","","1.046","","","","has coordinates","250230","2020-10-21","18:00:00",""
"1557444","22.4997","0.0012","8.4913","0.0003","17.7726","0.0007","90","","111.646","0.005","90","","3156","0.3","93","2","93","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C31 H35 F6 N5 Ni O2 P -","- C31 H35 F6 N5 Ni O2 P -","- C124 H140 F24 N20 Ni4 O8 P4 -","4","0.5","","Fisher, Katherine J.; Feuer, Margalit L.; Lant, Hannah M. C.; Mercado, Brandon Q.; Crabtree, Robert H.; Brudvig, Gary W.","Concerted proton-electron transfer oxidation of phenols and hydrocarbons by a high-valent nickel complex.","Chemical science","2020","11","6","1683","1690","10.1039/c9sc05565g","","","1.54184","CuKα","","0.0692","0.0526","","","0.132","0.1434","","","","","","1.071","","","","has coordinates","250230","2020-10-21","18:00:00",""
"1557445","5.8903","0.0003","7.8065","0.0004","11.6922","0.0006","90.458","0.003","101.223","0.003","93.037","0.003","526.52","0.05","223","","223.15","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H8 S2 -","- C14 H8 S2 -","- C28 H16 S4 -","2","1","","Wang, Chengyuan; Hashizume, Daisuke; Nakano, Masahiro; Ogaki, Takuya; Takenaka, Hiroyuki; Kawabata, Kohsuke; Takimiya, Kazuo","“Disrupt and induce” intermolecular interactions to rationally design organic semiconductor crystals: from herringbone to rubrene-like pitched π-stacking","Chemical Science","2020","11","6","1573","1580","10.1039/C9SC05902D","","","1.54187","CuKα","","0.0856","0.0689","","","0.1962","0.2081","","","","","","1.068","","","","has coordinates,has disorder","257323","2020-10-21","18:00:00",""
"1557446","7.45474","0.00015","16.2651","0.0003","6.76866","0.00016","90","","90.98","0.002","90","","820.59","0.03","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 S4 -","- C20 H14 S4 -","- C40 H28 S8 -","2","0.5","","Wang, Chengyuan; Hashizume, Daisuke; Nakano, Masahiro; Ogaki, Takuya; Takenaka, Hiroyuki; Kawabata, Kohsuke; Takimiya, Kazuo","“Disrupt and induce” intermolecular interactions to rationally design organic semiconductor crystals: from herringbone to rubrene-like pitched π-stacking","Chemical Science","2020","11","6","1573","1580","10.1039/C9SC05902D","","","0.71073","MoKα","","0.0451","0.0358","","","0.0954","0.0999","","","","","","1.076","","","","has coordinates","257323","2020-10-21","18:00:00",""
"1557447","7.6311","0.0003","17.4783","0.0007","5.2771","0.0002","90","","91.18","0.003","90","","703.7","0.05","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 S4 -","- C16 H12 S4 -","- C32 H24 S8 -","2","0.5","","Wang, Chengyuan; Hashizume, Daisuke; Nakano, Masahiro; Ogaki, Takuya; Takenaka, Hiroyuki; Kawabata, Kohsuke; Takimiya, Kazuo","“Disrupt and induce” intermolecular interactions to rationally design organic semiconductor crystals: from herringbone to rubrene-like pitched π-stacking","Chemical Science","2020","11","6","1573","1580","10.1039/C9SC05902D","","","1.54187","CuKα","","","0.0754","","","","0.2144","","","","","","1.233","","","","has coordinates","257323","2020-10-21","18:00:00",""
"1557448","9.423","0.007","10.032","0.006","11.391","0.007","90","","104.61","0.02","90","","1042","1.2","293","2","293","2","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- C26 H26 -","- C26 H26 -","- C52 H52 -","2","1","","Lei, Guangyue; Zhang, Hanwen; Chen, Bin; Xu, Meichen; Zhang, Guozhu","Copper-catalyzed enantioselective arylalkynylation of alkenes.","Chemical science","2020","11","6","1623","1628","10.1039/c9sc04029c","","","0.71073","MoKα","","0.1028","0.0628","","","0.1624","0.1939","","","","","","1.046","","","","has coordinates,has disorder","250233","2020-10-21","18:00:00",""
"1557449","11.0592","0.0004","12.9006","0.0003","18.7834","0.0005","98.063","0.002","91.131","0.002","103.315","0.003","2578.25","0.14","100.01","0.1","100.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C55 H72 Cl F3 N3 O3 P S -","- C55 H72 Cl F3 N3 O3 P S -","- C110 H144 Cl2 F6 N6 O6 P2 S2 -","2","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications","Chemical Science","2020","11","7","1975","1984","10.1039/C9SC05598C","","x-ray","1.54184","CuKα","","0.0483","0.042","","","0.1129","0.1182","","","","","","1.082","","","","has coordinates,has disorder","257364","2020-10-21","18:00:00",""
"1557450","19.16275","0.00015","13.46701","0.0001","28.2924","0.0002","90","","94.584","0.0007","90","","7277.92","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H80 Cl15 Ga3 N3 P -","- C59 H80 Cl15 Ga3 N3 P -","- C236 H320 Cl60 Ga12 N12 P4 -","4","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications","Chemical Science","2020","11","7","1975","1984","10.1039/C9SC05598C","","x-ray","1.54184","CuKα","","0.0384","0.036","","","0.0954","0.0974","","","","","","1.034","","","","has coordinates","257364","2020-10-21","18:00:00",""
"1557451","18.56527","0.00011","11.96597","0.00007","22.85445","0.00016","90","","101.614","0.0006","90","","4973.19","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H76 N3 P -","- C57 H76 N3 P -","- C228 H304 N12 P4 -","4","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications","Chemical Science","2020","11","7","1975","1984","10.1039/C9SC05598C","","x-ray","1.54184","CuKα","","0.0459","0.0419","","","0.1173","0.1215","","","","","","1.037","","","","has coordinates","257364","2020-10-21","18:00:00",""
"1557452","24.13916","0.00017","18.9021","0.00013","26.08922","0.00018","90","","90","","90","","11904","0.14","100.01","0.1","100.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C54 H72 Cl8 Ga2 N3 P -","- C54 H72 Cl8 Ga2 N3 P -","- C432 H576 Cl64 Ga16 N24 P8 -","8","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications","Chemical Science","2020","11","7","1975","1984","10.1039/C9SC05598C","","x-ray","1.54184","CuKα","","0.0497","0.0476","","","0.1232","0.1251","","","","","","1.03","","","","has coordinates,has disorder","257364","2020-10-21","18:00:00",""
"1557453","11.5123","0.0002","12.8811","0.0002","37.2397","0.0005","90","","97.724","0.001","90","","5472.21","0.15","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Cl4 Ga N3 P -","- C54 H72 Cl4 Ga N3 P -","- C216 H288 Cl16 Ga4 N12 P4 -","4","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications","Chemical Science","2020","11","7","1975","1984","10.1039/C9SC05598C","","x-ray","0.71073","MoKα","","0.0642","0.0544","","","0.1072","0.1106","","","","","","1.174","","","","has coordinates","257364","2020-10-21","18:00:00",""
"1557454","12.5627","0.0001","15.9337","0.0002","23.6169","0.0002","90","","93.554","0.001","90","","4718.31","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 N3 P -","- C54 H72 N3 P -","- C216 H288 N12 P4 -","4","1","","Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications","Chemical Science","2020","11","7","1975","1984","10.1039/C9SC05598C","","x-ray","1.54184","CuKα","","0.0373","0.0358","","","0.0921","0.0933","","","","","","1.03","","","","has coordinates","257364","2020-10-21","18:00:00",""
"1557455","40.7612","0.0006","12.3237","0.0002","23.4798","0.0003","90","","101.398","0.001","90","","11562","0.3","100","0.13","100","0.13","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C115 H154 Cl10 Ga2 N6 P2 -","- C115 H154 Cl10 Ga2 N6 P2 -","- C460 H616 Cl40 Ga8 N24 P8 -","4","0.5","","Sharma, Mahendra K.; Blomeyer, Sebastian; Glodde, Timo; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.","Isolation of singlet carbene derived 2-phospha-1,3-butadienes and their sequential one-electron oxidation to radical cations and dications","Chemical Science","2020","11","7","1975","1984","10.1039/C9SC05598C","","x-ray","0.71073","MoKα","","0.0873","0.0517","","","0.1046","0.1194","","","","","","1.036","","","","has coordinates,has disorder","257364","2020-10-21","18:00:00",""
"1557456","8.3861","0.0003","11.5994","0.0004","14.05","0.0005","86.881","0.002","79.282","0.002","83.876","0.002","1334.35","0.08","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H88 Ag2 Li4 N6 O2 -","- C46 H88 Ag2 Li4 N6 O2 -","- C46 H88 Ag2 Li4 N6 O2 -","1","0.5","","Tezuka, Noriyuki; Hirano, Keiichi; Peel, Andrew J.; Wheatley, Andrew E. H.; Miyamoto, Kazunori; Uchiyama, Masanobu","Lipshutz-type bis(amido)argentates for directed ortho argentation","Chemical Science","2020","11","7","1855","1861","10.1039/C9SC06060J","","","1.54184","CuKα","","0.033","0.0272","","","0.0633","0.0673","","","","","","1.077","","","","has coordinates,has disorder","257366","2020-10-21","18:00:00",""
"1557457","22.1326","0.0005","8.3936","0.0002","22.8868","0.0006","90","","109.561","0.001","90","","4006.34","0.17","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H72 Ag2 Li2 N4 -","- C36 H72 Ag2 Li2 N4 -","- C144 H288 Ag8 Li8 N16 -","4","0.5","","Tezuka, Noriyuki; Hirano, Keiichi; Peel, Andrew J.; Wheatley, Andrew E. H.; Miyamoto, Kazunori; Uchiyama, Masanobu","Lipshutz-type bis(amido)argentates for directed ortho argentation","Chemical Science","2020","11","7","1855","1861","10.1039/C9SC06060J","","","1.54184","CuKα","","0.0345","0.0257","","","0.0517","0.0537","","","","","","1.128","","","","has coordinates,has disorder","257366","2020-10-21","18:00:00",""
"1557458","12.4986","0.0002","14.8962","0.0002","21.7554","0.0004","90","","93.742","0.002","90","","4041.82","0.11","90","","90","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Ag Li N2 O3 -","- C42 H56 Ag Li N2 O3 -","- C168 H224 Ag4 Li4 N8 O12 -","4","1","","Tezuka, Noriyuki; Hirano, Keiichi; Peel, Andrew J.; Wheatley, Andrew E. H.; Miyamoto, Kazunori; Uchiyama, Masanobu","Lipshutz-type bis(amido)argentates for directed ortho argentation","Chemical Science","2020","11","7","1855","1861","10.1039/C9SC06060J","","x-ray","1.54184","CuKα","","0.0349","0.0328","","","0.1101","0.1128","","","","","","0.962","","","","has coordinates","257366","2020-10-21","18:00:00",""
"1557459","13.3743","0.0002","18.2477","0.0002","22.9463","0.0003","90","","103.316","0.002","90","","5449.49","0.13","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H84 Ag2 Li2 N4 O2 -","- C56 H84 Ag2 Li2 N4 O2 -","- C224 H336 Ag8 Li8 N16 O8 -","4","1","","Tezuka, Noriyuki; Hirano, Keiichi; Peel, Andrew J.; Wheatley, Andrew E. H.; Miyamoto, Kazunori; Uchiyama, Masanobu","Lipshutz-type bis(amido)argentates for directed ortho argentation","Chemical Science","2020","11","7","1855","1861","10.1039/C9SC06060J","","x-ray","1.54184","CuKα","","0.0397","0.0362","","","0.0944","0.0963","","","","","","1.131","","","","has coordinates","257366","2020-10-21","18:00:00",""
"1557467","10.9521","0.0009","12.1033","0.0011","12.578","0.0011","115.914","0.004","92.683","0.001","110.251","0.003","1367.6","0.2","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C61 H79 Cl N2 Pd -","- C61 H79 Cl N2 Pd -","- C61 H79 Cl N2 Pd -","1","1","","Dai, Shengyu; Li, Shuaikang; Xu, Guoyong; Wu, Cheng; Liao, Yudan; Guo, Lihua","Flexible cycloalkyl substituents in insertion polymerization with α-diimine nickel and palladium species","Polymer Chemistry","2020","11","7","1393","1400","10.1039/C9PY01901D","","","0.71073","MoKα","","0.099","0.089","","","0.2086","0.2179","","","","","","1.023","","","","has coordinates,has disorder","257946","2020-10-21","18:00:00",""
"1557468","16.631","0.0014","15.673","0.0013","22.5127","0.0019","90","","99.756","0.002","90","","5783.2","0.8","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H76 Br2 N2 Ni -","- C60 H76 Br2 N2 Ni -","- C240 H304 Br8 N8 Ni4 -","4","1","","Dai, Shengyu; Li, Shuaikang; Xu, Guoyong; Wu, Cheng; Liao, Yudan; Guo, Lihua","Flexible cycloalkyl substituents in insertion polymerization with α-diimine nickel and palladium species","Polymer Chemistry","2020","11","7","1393","1400","10.1039/C9PY01901D","","","0.71073","MoKα","","0.1412","0.0543","","","0.0789","0.0848","","","","","","1.018","","","","has coordinates,has disorder","257946","2020-10-21","18:00:00",""
"1557476","13.6977","0.0004","11.9911","0.0003","21.2056","0.0005","90","","96.908","0.001","90","","3457.75","0.16","296","1","296","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4","","- C36 H46 Cl2 N3 Ru -","- C36 H46 Cl2 N3 Ru -","- C144 H184 Cl8 N12 Ru4 -","4","1","","Sivanesan, Dharmalingam; Seo, Bongkuk; Lim, Choong-Sun; Choi, Dongchen; Kim, Taehee; Kim, Hyeon-Gook","An additional potential donor-bearing alkylidene-containing latent NHC‒ruthenium-based catalyst for olefin metathesis polymerization","Polymer Chemistry","2020","11","14","2511","2518","10.1039/C9PY01952A","","","0.71073","MoKα","","0.0617","0.049","","","0.1316","0.1422","","","","","","1.055","","","","has coordinates","257945","2020-10-21","18:00:00",""
"1557502","10.7583","0.0004","20.7341","0.0005","12.2345","0.0005","90","","101.16","0.004","90","","2677.47","0.17","103","","103","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl6 Fe2 N2 O12 -","- C42 H56 Cl6 Fe2 N2 O12 -","- C84 H112 Cl12 Fe4 N4 O24 -","2","0.5","","Chen, Jian; Sekine, Yoshihiro; Okazawa, Atsushi; Sato, Hiroyasu; Kosaka, Wataru; Miyasaka, Hitoshi","Chameleonic layered metal‒organic frameworks with variable charge-ordered states triggered by temperature and guest molecules","Chemical Science","2020","11","14","3610","3618","10.1039/D0SC00684J","","","0.71073","MoKα","","0.0566","0.0413","","","0.0901","0.0959","","","","","","1.084","","","","has coordinates","257351","2020-10-21","18:00:00",""
"1557503","10.866","0.001","21.1945","0.0018","12.2707","0.0009","90","","101.413","0.008","90","","2770.1","0.4","335","","335","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl6 Fe2 N2 O12 -","- C42 H56 Cl6 Fe2 N2 O12 -","- C84 H112 Cl12 Fe4 N4 O24 -","2","0.5","","Chen, Jian; Sekine, Yoshihiro; Okazawa, Atsushi; Sato, Hiroyasu; Kosaka, Wataru; Miyasaka, Hitoshi","Chameleonic layered metal‒organic frameworks with variable charge-ordered states triggered by temperature and guest molecules","Chemical Science","2020","11","14","3610","3618","10.1039/D0SC00684J","","","1.54184","CuKα","","0.1498","0.0699","","","0.176","0.2218","","","","","","0.982","","","","has coordinates","257351","2020-10-21","18:00:00",""
"1557504","10.874","0.0009","20.9284","0.0016","12.2372","0.0008","90","","101.859","0.007","90","","2725.4","0.4","300","","300","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl6 Fe2 N2 O12 -","- C42 H56 Cl6 Fe2 N2 O12 -","- C84 H112 Cl12 Fe4 N4 O24 -","2","0.5","","Chen, Jian; Sekine, Yoshihiro; Okazawa, Atsushi; Sato, Hiroyasu; Kosaka, Wataru; Miyasaka, Hitoshi","Chameleonic layered metal‒organic frameworks with variable charge-ordered states triggered by temperature and guest molecules","Chemical Science","2020","11","14","3610","3618","10.1039/D0SC00684J","","","1.54184","CuKα","","0.1177","0.0639","","","0.1583","0.1899","","","","","","1.012","","","","has coordinates","257351","2020-10-21","18:00:00",""
"1557505","10.9375","0.0009","21.278","0.0015","12.2835","0.0007","90","","100.818","0.006","90","","2807.9","0.3","380","","380","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H56 Cl6 Fe2 N2 O12 -","- C42 H56 Cl6 Fe2 N2 O12 -","- C84 H112 Cl12 Fe4 N4 O24 -","2","0.5","","Chen, Jian; Sekine, Yoshihiro; Okazawa, Atsushi; Sato, Hiroyasu; Kosaka, Wataru; Miyasaka, Hitoshi","Chameleonic layered metal‒organic frameworks with variable charge-ordered states triggered by temperature and guest molecules","Chemical Science","2020","11","14","3610","3618","10.1039/D0SC00684J","","","1.54184","CuKα","","0.1831","0.0743","","","0.1784","0.2334","","","","","","0.996","","","","has coordinates","257351","2020-10-21","18:00:00",""
"1557506","14.987","0.003","16.858","0.003","17.478","0.004","116.53","0.03","107.31","0.03","93.21","0.03","3679","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C140 H104 Cu4 N8 O20 -","- C140 H104 Cu4 N8 O20 -","- C140 H104 Cu4 N8 O20 -","1","0.5","","Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.","On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra","Chemical Science","2020","11","14","3664","3671","10.1039/D0SC00070A","","","0.71073","Synchrotron","","0.0511","0.0431","","","0.1265","0.1324","","","","","","1.027","","","","has coordinates","257356","2020-10-21","18:00:00",""
"1557507","13.914","0.003","20.891","0.004","21.446","0.004","71.94","0.03","87.87","0.03","81.2","0.03","5857","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C218 H138 Cu8 N6 O48 -","- C218 H138 Cu8 N6 O48 -","- C218 H138 Cu8 N6 O48 -","1","0.5","","Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.","On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra","Chemical Science","2020","11","14","3664","3671","10.1039/D0SC00070A","","","0.71073","Synchrotron","","0.0644","0.0525","","","0.1555","0.1633","","","","","","1.139","","","","has coordinates,has disorder","257356","2020-10-21","18:00:00",""
"1557508","14.0177","0.0005","28.7314","0.0008","17.0738","0.0006","90","","110.611","0.004","90","","6436.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C116 H84 Cu4 N4 O24 -","- C116 H84 Cu4 N4 O24 -","- C232 H168 Cu8 N8 O48 -","2","0.5","","Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.","On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra","Chemical Science","2020","11","14","3664","3671","10.1039/D0SC00070A","","","0.71073","MoKα","","0.0879","0.055","","","0.1362","0.1518","","","","","","1.028","","","","has coordinates,has disorder","257356","2020-10-21","18:00:00",""
"1557509","25.8186","0.0007","22.6806","0.0006","27.2079","0.0006","90","","109.69","0.003","90","","15000.9","0.7","150","2","150","2","","","","","","","","5","I 1 2/m 1","-I 2y","12","","","","- C53 H31 Cu2 N O12 -","- C53 H31 Cu2 N O12 -","- C424 H248 Cu16 N8 O96 -","8","1","","Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.","On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra","Chemical Science","2020","11","14","3664","3671","10.1039/D0SC00070A","","x-ray","0.71073","MoKα","","0.1244","0.0758","","","0.2011","0.2289","","","","","","1.035","","","","has coordinates,has disorder","257356","2020-10-21","18:00:00",""
"1557510","19.687","0.004","28.163","0.006","10.475","0.002","90","","97.91","0.03","90","","5753","2","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C106 H60 Cu4 O24 -","- C106 H60 Cu4 O24 -","- C212 H120 Cu8 O48 -","2","0.25","","Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.","On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra","Chemical Science","2020","11","14","3664","3671","10.1039/D0SC00070A","","","0.71073","Synchrotron","","0.0469","0.0429","","","0.1188","0.1216","","","","","","1.054","","","","has coordinates","257356","2020-10-21","18:00:00",""
"1557511","14.151","0.003","32.563","0.007","26.766","0.005","90","","102.26","0.03","90","","12052","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C108 H72 Cu4 O24 S4 -","- C108 H72 Cu4 O24 S4 -","- C432 H288 Cu16 O96 S16 -","4","0.5","","Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.","On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra","Chemical Science","2020","11","14","3664","3671","10.1039/D0SC00070A","","","0.71073","Synchrotron","","0.0892","0.0714","","","0.2226","0.2406","","","","","","1.053","","","","has coordinates,has disorder","257356","2020-10-21","18:00:00",""
"1557512","20.979","0.004","21.168","0.004","23.76","0.005","90","","108.37","0.03","90","","10014","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C168 H124 Cu4 N12 O20 -","- C168 H124 Cu4 N12 O20 -","- C336 H248 Cu8 N24 O40 -","2","0.5","","Bloch, Witold M.; Babarao, Ravichandar; Schneider, Matthew L.","On/off porosity switching and post-assembly modifications of Cu4L4 metal‒organic polyhedra","Chemical Science","2020","11","14","3664","3671","10.1039/D0SC00070A","","","0.71073","Synchrotron","","0.1807","0.122","","","0.3456","0.3929","","","","","","1.024","","","","has coordinates","257356","2020-10-21","18:00:00",""
"1557513","8.613","0.0019","17.7","0.008","9.511","0.002","90","","90","","90","","1450","0.8","173","0.1","173","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C16 H21 N2 O0.1 P -","- C16 H21 N2 O0.1 P -","- C64 H84 N8 O0.4 P4 -","4","0.5","","Zhang, Jingjing; Yang, Jin-Dong; Cheng, Jin-Pei","Diazaphosphinanes as hydride, hydrogen atom, proton or electron donors under transition-metal-free conditions: thermodynamics, kinetics, and synthetic applications","Chemical Science","2020","11","14","3672","3679","10.1039/C9SC05883D","","x-ray","1.54184","CuKα","","0.1359","0.1192","","","0.3078","0.3238","","","","","","1.152","","","","has coordinates,has disorder","257354","2020-10-21","18:00:00",""
"1557531","13.699","0.0007","13.699","0.0007","9.5293","0.0005","90","","90","","90","","1788.29","0.16","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C21 Al F36 N O10 W -","- C21 Al F36 N O10 W -","- C42 Al2 F72 N2 O20 W2 -","2","0.25","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0236","0.0235","","","0.0734","0.0735","","","","","","1.126","","","","has coordinates","257353","2020-10-21","18:00:00",""
"1557532","17.285","0.003","17.285","0.003","17.285","0.003","90","","90","","90","","5164.3","1.6","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C30 Al2 F55 Mo O12 -","- C30 Al2 F55 Mo O12 -","- C120 Al8 F220 Mo4 O48 -","4","0.166667","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0671","0.0537","","","0.1469","0.1549","","","","","","1.191","","","","has coordinates,has disorder","257353","2020-10-21","18:00:00",""
"1557533","13.759","0.0006","13.759","0.0006","9.5821","0.0007","90","","90","","90","","1813.99","0.17","373","2","373","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C22 Al F36 Mo O10 -","- C22 Al F36 Mo O10 -","- C44 Al2 F72 Mo2 O20 -","2","0.25","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0412","0.038","","","0.0932","0.0951","","","","","","1.114","","","","has coordinates","257353","2020-10-21","18:00:00",""
"1557534","17.3168","0.0003","17.3168","0.0003","17.3168","0.0003","90","","90","","90","","5192.82","0.16","100","2","100","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C30 Al2 F55 O12 W -","- C30 Al2 F55 O12 W -","- C120 Al8 F220 O48 W4 -","4","0.166667","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0822","0.0762","","","0.1448","0.1474","","","","","","1.375","","","","has coordinates,has disorder","257353","2020-10-21","18:00:00",""
"1557535","13.7152","0.0003","13.7152","0.0003","9.5418","0.0003","90","","90","","90","","1794.88","0.08","100","2","100","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C21 Al F36 Mo N O10 -","- C21 Al F36 Mo N O10 -","- C42 Al2 F72 Mo2 N2 O20 -","2","0.25","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0242","0.0226","","","0.0555","0.0565","","","","","","1.029","","","","has coordinates","257353","2020-10-21","18:00:00",""
"1557536","11.5888","0.0008","11.5986","0.0008","12.7755","0.0008","82.965","0.002","67.136","0.002","87.863","0.002","1570.27","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 Al2 F73 O12 W -","- C36 Al2 F73 O12 W -","- C36 Al2 F73 O12 W -","1","0.5","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0274","0.0242","","","0.0532","0.0548","","","","","","0.993","","","","has coordinates","257353","2020-10-21","18:00:00",""
"1557537","11.3269","0.0006","12.2795","0.0006","23.4349","0.0011","76.883","0.001","86.161","0.001","66.485","0.001","2909.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 Al2 Cl3 F55 O14 W2 -","- C32 Al2 Cl3 F55 O14 W2 -","- C64 Al4 Cl6 F110 O28 W4 -","2","1","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.026","0.019","","","0.0382","0.0406","","","","","","1.034","","","","has coordinates,has disorder","257353","2020-10-21","18:00:00",""
"1557538","13.9703","0.0004","28.8124","0.0009","20.6169","0.0006","90","","90.443","0.001","90","","8298.4","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 Al2 F72 I3 Mo3 O22 -","- C46 Al2 F72 I3 Mo3 O22 -","- C184 Al8 F288 I12 Mo12 O88 -","4","1","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0418","0.034","","","0.0837","0.0884","","","","","","1.06","","","","has coordinates,has disorder","257353","2020-10-21","18:00:00",""
"1557539","10.5119","0.0007","12.5617","0.0008","21.1226","0.0015","85.595","0.002","76.545","0.003","78.485","0.002","2656.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 Al2 F55 I O12 W -","- C30 Al2 F55 I O12 W -","- C60 Al4 F110 I2 O24 W2 -","2","1","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0615","0.0424","","","0.0867","0.0933","","","","","","1.061","","","","has coordinates","257353","2020-10-21","18:00:00",""
"1557540","15.848","0.003","17.229","0.003","22.395","0.004","94.072","0.003","102.24","0.003","101.653","0.003","5811.1","1.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 Al4 F128 O26 W2 -","- C68.004 Al4 F128.009 O26.001 W2 -","- C136.008 Al8 F256.018 O52.002 W4 -","2","1","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0519","0.0303","","","0.0611","0.0698","","","","","","1.018","","","","has coordinates,has disorder","257353","2020-10-21","18:00:00",""
"1557541","16.438","0.0006","28.3511","0.001","17.5878","0.0006","90","","110.764","0.002","90","","7664.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 Al F36 I O10 W -","- C22 Al F36 I O10 W -","- C176 Al8 F288 I8 O80 W8 -","8","2","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.0503","0.0427","","","0.1162","0.1208","","","","","","1.054","","","","has coordinates","274176","2022-03-31","10:10:29",""
"1557542","13.385","0.0011","21.4285","0.0017","31.305","0.003","85.822","0.003","81.782","0.003","83.84","0.003","8820.3","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 Al6 F165 I6 Mo6 O42 -","- C96 Al6 F165 I6 Mo6 O42 -","- C192 Al12 F330 I12 Mo12 O84 -","2","1","","Bohnenberger, Jan; Schmitt, Manuel; Feuerstein, Wolfram; Krummenacher, Ivo; Butschke, Burkhard; Czajka, Jakub; Malinowski, Przemysław J.; Breher, Frank; Krossing, Ingo","Completing the triad: synthesis and full characterization of homoleptic and heteroleptic carbonyl and nitrosyl complexes of the group VI metals","Chemical Science","2020","11","14","3592","3603","10.1039/C9SC06445A","","","0.71073","MoKα","","0.1007","0.0698","","","0.1668","0.1822","","","","","","1.102","","","","has coordinates","257353","2020-10-21","18:00:00",""
"1557543","16.2198","0.0007","10.77","0.0006","28.9971","0.0015","90","","96.1","0.004","90","","5036.7","0.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C57 H88 N2 O -","- C57 H88 N2 O -","- C228 H352 N8 O4 -","4","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","1.54184","CuKα","","0.1485","0.0785","","","0.1626","0.1945","","","","","","1.012","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557544","12.8246","0.0002","21.5786","0.0003","24.2161","0.0003","90","","103.493","0.001","90","","6516.52","0.16","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C71 H94 Mg2 N8 -","- C71 H94 Mg2 N8 -","- C284 H376 Mg8 N32 -","4","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","0.71073","MoKα","","0.0565","0.0518","","","0.1362","0.1398","","","","","","1.048","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557545","12.4858","0.0002","12.0704","0.0002","31.1338","0.0005","90","","92.762","0.001","90","","4686.68","0.13","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H60 Mg2 N6 -","- C49 H60 Mg2 N6 -","- C196 H240 Mg8 N24 -","4","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","1.54184","CuKα","","0.0717","0.0634","","","0.1522","0.1572","","","","","","1.038","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557546","18.2067","0.0001","26.3297","0.0001","25.8355","0.0002","90","","105.806","0.001","90","","11916.7","0.14","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C137.5 H189.63 I0.04 Mg2 N4 O0.13 -","- C137.5 H189.63 I0.034 Mg2 N4 O0.13 -","- C550 H758.52 I0.136 Mg8 N16 O0.52 -","4","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","1.54184","CuKα","","0.0774","0.0679","","","0.1816","0.1881","","","","","","1.048","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557547","15.1058","0.0002","19.0783","0.0002","20.0582","0.0002","85.762","0.001","88.909","0.001","66.998","0.001","5306.17","0.11","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C117 H144 Mg4 N12 O4 -","- C117 H144 Mg4 N12 O4 -","- C234 H288 Mg8 N24 O8 -","2","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","1.54184","CuKα","","0.0672","0.0593","","","0.1696","0.1771","","","","","","1.026","","","","has coordinates","257347","2020-10-21","18:00:00",""
"1557548","18.7699","0.0003","15.7829","0.0002","22.8274","0.0004","90","","109.172","0.002","90","","6387.4","0.19","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C70 H86 Mg2 N8 -","- C70 H86 Mg2 N8 -","- C280 H344 Mg8 N32 -","4","0.5","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","0.71073","MoKα","","0.0425","0.04","","","0.1086","0.1105","","","","","","1.046","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557549","18.7194","0.0002","11.3129","0.0001","26.0645","0.0003","90","","103.791","0.001","90","","5360.57","0.1","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C57 H76 Mg2 N6 -","- C57 H76 Mg2 N6 -","- C228 H304 Mg8 N24 -","4","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","1.54184","CuKα","","0.0583","0.0505","","","0.1395","0.1504","","","","","","1.085","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557550","10.437","0.0002","14.8235","0.0004","18.7188","0.0005","84.547","0.002","75.886","0.002","71.426","0.002","2661.85","0.12","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H87 I Mg N2 O -","- C57 H87 I Mg N2 O -","- C114 H174 I2 Mg2 N4 O2 -","2","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","0.71073","MoKα","","0.0451","0.0375","","","0.0951","0.0994","","","","","","1.049","","","","has coordinates","257347","2020-10-21","18:00:00",""
"1557551","17.919","0.0006","19.6004","0.0009","20.9467","0.0007","79.292","0.003","75.685","0.003","86.86","0.003","7004","0.5","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C151 H208 Mg4 N12 O6 -","- C151 H208 Mg4 N12 O6 -","- C302 H416 Mg8 N24 O12 -","2","1","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","1.54184","CuKα","","0.1648","0.09","","","0.255","0.3129","","","","","","1.042","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557552","15.48","0.003","15.114","0.003","27.505","0.006","90","","103.08","0.03","90","","6268","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C134 H184 Mg4 N12 O12 -","- C102 H120 Mg4 N12 O4 -","- C204 H240 Mg8 N24 O8 -","2","0.5","","Yuvaraj, K.; Douair, Iskander; Jones, Dafydd D. L.; Maron, Laurent; Jones, Cameron","Sterically controlled reductive oligomerisations of CO by activated magnesium(i) compounds: deltate vs. ethenediolate formation","Chemical Science","2020","11","13","3516","3522","10.1039/D0SC00836B","","","0.7109","Synchrotron","","0.2102","0.1035","","","0.2942","0.3675","","","","","","1.012","","","","has coordinates,has disorder","257347","2020-10-21","18:00:00",""
"1557553","10.85","0.002","31.002","0.006","11.243","0.002","90","","96.637","0.003","90","","3756.5","1.2","173","1","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","","cis-1,4-bis(4-iodophenyl)cyclohex-2-ene-1,4-diol","","- C145 H133 Cl3 I16 O18 -","- C145 H133 Cl3 I16 O18 -","- C145 H133 Cl3 I16 O18 -","1","0.5","","Pavlović, Dražen; Cohen, Shmuel","Controlled synthesis of unsubstituted high molecular weight poly(para-phenylene) via Suzuki polycondensation-thermal aromatization methodology","Polymer Chemistry","2020","11","14","2550","2558","10.1039/D0PY00001A","","","0.71073","MoKα","","0.0312","0.0302","","","0.0905","0.0911","","","","","","1.093","","","","has coordinates","257944","2020-10-21","18:00:00",""
"1557570","8.27","0.0008","9.1848","0.0009","12.4194","0.0012","71.619","0.005","82.065","0.005","79.191","0.005","876.19","0.15","298","2","298.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O5 -","- C20 H18 N2 O5 -","- C40 H36 N4 O10 -","2","1","","Yelgaonkar, Shweta P.; Swenson, Dale C.; MacGillivray, Leonard R.","Supramolecular chemistry under mechanochemical conditions: a small molecule template generated and integrated into a molecular-to-supramolecular and back-to-molecular cascade reaction","Chemical Science","2020","11","13","3569","3573","10.1039/C9SC05823K","","","0.71073","MoKα","","0.0791","0.0604","","","0.1568","0.1734","","","","","","1.053","","","","has coordinates","257348","2020-10-21","18:00:00",""
"1557571","10.9162","0.0011","11.3807","0.0011","31.809","0.003","90","","90","","90","","3951.8","0.7","150","2","150.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H44 N4 O11 -","- C44 H44 N4 O11 -","- C176 H176 N16 O44 -","4","1","","Yelgaonkar, Shweta P.; Swenson, Dale C.; MacGillivray, Leonard R.","Supramolecular chemistry under mechanochemical conditions: a small molecule template generated and integrated into a molecular-to-supramolecular and back-to-molecular cascade reaction","Chemical Science","2020","11","13","3569","3573","10.1039/C9SC05823K","","","0.71073","MoKα","","0.0762","0.0591","","","0.1526","0.1645","","","","","","1.063","","","","has coordinates,has disorder","257348","2020-10-21","18:00:00",""
"1557572","9.2321","0.0019","18.768","0.004","18.876","0.004","90","","93.72","0.03","90","","3263.7","1.2","190","2","190.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","exo,exo-7-oxa-5-norbornene-2,3-dicarboxylic acid","","- C8 H8 O5 -","- C8 H8 O5 -","- C128 H128 O80 -","16","8","","Yelgaonkar, Shweta P.; Swenson, Dale C.; MacGillivray, Leonard R.","Supramolecular chemistry under mechanochemical conditions: a small molecule template generated and integrated into a molecular-to-supramolecular and back-to-molecular cascade reaction","Chemical Science","2020","11","13","3569","3573","10.1039/C9SC05823K","","","0.71073","MoKα","","0.1096","0.0584","","","0.1352","0.1632","","","","","","1.023","","","","has coordinates,has disorder","257348","2020-10-21","18:00:00",""
"1557580","6.4901","0.0002","13.5853","0.0004","17.2054","0.0006","90","","90","","90","","1517","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 N4 O3 S -","- C15 H12 N4 O3 S -","- C60 H48 N16 O12 S4 -","4","1","","Ding, Pei-Gang; Zhou, Feng; Wang, Xin; Zhao, Qiu-Hua; Yu, Jin-Sheng; Zhou, Jian","H-bond donor-directed switching of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins","Chemical Science","2020","11","15","3852","3861","10.1039/D0SC00475H","","","0.71073","MoKα","","0.0369","0.0332","","","0.0885","0.0922","","","","","","1.055","","","","has coordinates","257380","2020-10-21","18:00:00",""
"1557581","6.2023","0.0002","15.1707","0.0004","23.3424","0.0007","90","","90","","90","","2196.36","0.11","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Cl N2 O3 -","- C25 H21 Cl N2 O3 -","- C100 H84 Cl4 N8 O12 -","4","1","","Ding, Pei-Gang; Zhou, Feng; Wang, Xin; Zhao, Qiu-Hua; Yu, Jin-Sheng; Zhou, Jian","H-bond donor-directed switching of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins","Chemical Science","2020","11","15","3852","3861","10.1039/D0SC00475H","","","0.71073","MoKα","","0.0508","0.0391","","","0.1005","0.1092","","","","","","1.046","","","","has coordinates","257380","2020-10-21","18:00:00",""
"1557582","7.6364","0.0001","11.6851","0.0002","11.5473","0.0002","90","","104.259","0.002","90","","998.65","0.03","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H14 Br2 N4 O3 -","- C18 H14 Br2 N4 O3 -","- C36 H28 Br4 N8 O6 -","2","1","","Ding, Pei-Gang; Zhou, Feng; Wang, Xin; Zhao, Qiu-Hua; Yu, Jin-Sheng; Zhou, Jian","H-bond donor-directed switching of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins","Chemical Science","2020","11","15","3852","3861","10.1039/D0SC00475H","","x-ray","1.54184","CuKα","","0.0402","0.0383","","","0.1042","0.1061","","","","","","1.059","","","","has coordinates","257380","2020-10-21","18:00:00",""
"1557583","10.3148","0.0002","11.9114","0.0003","14.6673","0.0003","90","","90","","90","","1802.08","0.07","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 F N4 O3 -","- C19 H15 F N4 O3 -","- C76 H60 F4 N16 O12 -","4","1","","Ding, Pei-Gang; Zhou, Feng; Wang, Xin; Zhao, Qiu-Hua; Yu, Jin-Sheng; Zhou, Jian","H-bond donor-directed switching of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins","Chemical Science","2020","11","15","3852","3861","10.1039/D0SC00475H","","","1.54178","CuKα","","0.0747","0.0691","","","0.2196","0.2314","","","","","","1.048","","","","has coordinates","257380","2020-10-21","18:00:00",""
"1557584","6.6447","0.0005","14.3101","0.0011","22.5008","0.0017","90","","90","","90","","2139.5","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 Cl N2 O3 -","- C25 H21 Cl N2 O3 -","- C100 H84 Cl4 N8 O12 -","4","1","","Ding, Pei-Gang; Zhou, Feng; Wang, Xin; Zhao, Qiu-Hua; Yu, Jin-Sheng; Zhou, Jian","H-bond donor-directed switching of diastereoselectivity in the Michael addition of α-azido ketones to nitroolefins","Chemical Science","2020","11","15","3852","3861","10.1039/D0SC00475H","","","0.71073","MoKα","","0.0682","0.043","","","0.0935","0.1084","","","","","","0.996","","","","has coordinates","257380","2020-10-21","18:00:00",""
"1557585","18.1194","0.0003","20.3557","0.0003","43.9834","0.0007","90","","90","","90","","16222.5","0.4","100","2","100","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C37 H61 Eu N8 O15 -","- C37 H47 Eu N8 O15 -","- C592 H752 Eu16 N128 O240 -","16","0.5","","Hewitt, Sarah H.; Macey, Georgina; Mailhot, Romain; Elsegood, Mark R. J.; Duarte, Fernanda; Kenwright, Alan M.; Butler, Stephen J.","Tuning the anion binding properties of lanthanide receptors to discriminate nucleoside phosphates in a sensing array","Chemical Science","2020","11","14","3619","3628","10.1039/D0SC00343C","","","0.71073","MoKα","","0.0487","0.0461","","","0.114","0.1153","","","","","","1.296","","","","has coordinates,has disorder","257355","2020-10-21","18:00:00",""
"1557586","5.8675","0.0003","12.4208","0.0007","24.4967","0.0014","90","","90","","90","","1785.3","0.17","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Br Cl0 N O2 -","- C22 H18 Br N O2 -","- C88 H72 Br4 N4 O8 -","4","1","","Shen, Bin; He, Qianwen; Dong, Shunxi; Liu, Xiaohua; Feng, Xiaoming","A chiral cobalt(ii) complex catalyzed enantioselective aza-Piancatelli rearrangement/Diels‒Alder cascade reaction","Chemical Science","2020","11","15","3862","3867","10.1039/D0SC00542H","","","0.71073","MoKα","","0.0374","0.03","","","0.066","0.0705","","","","","","1.04","","","","has coordinates","257386","2020-10-21","18:00:00",""
"1557587","6.732","0.0007","7.228","0.0006","12.0162","0.0017","80.831","0.011","86.517","0.011","62.902","0.008","513.81","0.11","113","","113","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 Br N O -","- C11 H10 Br N O -","- C22 H20 Br2 N2 O2 -","2","1","","Ikeda, Hideaki; Nishi, Kohei; Tsurugi, Hayato; Mashima, Kazushi","Chromium-catalyzed cyclopropanation of alkenes with bromoform in the presence of 2,3,5,6-tetramethyl-1,4-bis(trimethylsilyl)-1,4-dihydropyrazine","Chemical Science","2020","11","14","3604","3609","10.1039/D0SC00964D","","","0.71075","MoKα","","0.0327","0.0286","","","0.0684","0.069","","","","","","0.988","","","","has coordinates","257357","2020-10-21","18:00:00",""
"1557598","10.186","0.00006","11.3558","0.00007","15.5296","0.0001","90","","90","","90","","1796.31","0.019","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 F3 N O4 -","- C18 H18 F3 N O4 -","- C72 H72 F12 N4 O16 -","4","1","","Zhang, Shuyue; Greenhalgh, Mark D.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Tandem sequential catalytic enantioselective synthesis of highly-functionalised tetrahydroindolizine derivatives","Chemical Science","2020","11","15","3885","3892","10.1039/D0SC00432D","","","1.54184","CuKα","","0.0374","0.0371","","","0.1016","0.102","","","","","","1.064","","","","has coordinates","257379","2020-10-21","18:00:00",""
"1557600","13.1908","0.0006","27.7405","0.0013","18.6474","0.0007","90","","92.509","0.002","90","","6816.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C77 H75 Cl N2 Pd -","- C77 H75 Cl N2 Pd -","- C308 H300 Cl4 N8 Pd4 -","4","1","","Li, Shuaikang; Xu, Guoyong; Dai, Shengyu","A remote nonconjugated electron effect in insertion polymerization with α-diimine nickel and palladium species","Polymer Chemistry","2020","11","15","2692","2699","10.1039/D0PY00218F","","","1.54178","CuKα","","0.105","0.0602","","","0.126","0.1425","","","","","","1.043","","","","has coordinates,has disorder","257948","2020-10-21","18:00:00",""
"1557601","15.332","0.0014","36.69","0.003","14.7501","0.0013","90","","114.377","0.005","90","","7557.7","1.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77 H67 Cl F8 N2 Pd -","- C77 H67 Cl F8 N2 Pd -","- C308 H268 Cl4 F32 N8 Pd4 -","4","1","","Li, Shuaikang; Xu, Guoyong; Dai, Shengyu","A remote nonconjugated electron effect in insertion polymerization with α-diimine nickel and palladium species","Polymer Chemistry","2020","11","15","2692","2699","10.1039/D0PY00218F","","","0.71073","MoKα","","0.1897","0.116","","","0.2685","0.2977","","","","","","1.086","","","","has coordinates,has disorder","257948","2020-10-21","18:00:00",""
"1557603","17.4822","0.0003","9.78677","0.00016","20.9912","0.0004","90","","103.576","0.0017","90","","3491.13","0.11","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 N2 O2 S -","- C21 H17 N3 O2 S -","- C168 H136 N24 O16 S8 -","8","1","","Li, Guofeng; Zhao, Man; Xie, Junqiu; Yao, Ying; Mou, Lingyun; Zhang, Xiaowei; Guo, Xiaomin; Sun, Wangsheng; Wang, Zheng; Xu, Jiecheng; Xue, Jianzhong; Hu, Tao; Zhang, Ming; Li, Min; Hong, Liang","Efficient synthesis of cyclic amidine-based fluorophores via 6π-electrocyclic ring closure","Chemical Science","2020","11","14","3586","3591","10.1039/D0SC00798F","","x-ray","1.54184","CuKα","","0.0406","0.0369","","","0.0945","0.0982","","","","","","1.035","","","","has coordinates","257352","2020-10-21","18:00:00",""
"1557604","12.7105","0.001","28.115","0.002","8.1727","0.0007","90","","105.391","0.002","90","","2815.8","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H44 Cl2 N2 O2 P2 U -","- C20 H44 Cl2 N2 O2 P2 U -","- C80 H176 Cl8 N8 O8 P8 U4 -","4","1","","Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing","Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands","Chemical Science","2020","11","29","7585","7592","10.1039/D0SC00389A","","","0.71073","MoKα","","0.0541","0.0474","","","0.1391","0.1439","","","","","","1.091","","","","has coordinates","257277","2020-10-21","18:00:00",""
"1557605","14.48","0.002","14.59","0.002","12.5668","0.0018","90","","102.29","0.004","90","","2594.1","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H40 Cl2 N2 O2 P2 U -","- C18 H40 Cl2 N2 O2 P2 U -","- C72 H160 Cl8 N8 O8 P8 U4 -","4","1","","Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing","Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands","Chemical Science","2020","11","29","7585","7592","10.1039/D0SC00389A","","","1.34139","GaKα","","0.0776","0.0647","","","0.1935","0.2195","","","","","","1.125","","","","has coordinates","257277","2020-10-21","18:00:00",""
"1557606","16.3226","0.0016","22.813","0.002","14.7718","0.0015","90","","90","","90","","5500.5","0.9","173","2","173","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C40 H88 Cl4 N4 O4 P4 Pd2 U2 -","- C40 H88 Cl4 N4 O4 P4 Pd2 U2 -","- C160 H352 Cl16 N16 O16 P16 Pd8 U8 -","4","0.5","","Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing","Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands","Chemical Science","2020","11","29","7585","7592","10.1039/D0SC00389A","","","1.34139","GaKα","","0.0554","0.0332","","","0.0685","0.0776","","","","","","1.013","","","","has coordinates","257277","2020-10-21","18:00:00",""
"1557607","12.663","0.0008","21.4809","0.0013","23.0838","0.0017","90","","99.354","0.002","90","","6195.6","0.7","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C44 H96 Cl4 N4 O6 P4 Pt3 U2 -","- C44 H96 Cl4 N4 O6 P4 Pt3 U2 -","- C176 H384 Cl16 N16 O24 P16 Pt12 U8 -","4","0.5","","Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing","Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands","Chemical Science","2020","11","29","7585","7592","10.1039/D0SC00389A","","","1.34139","GaKα","","0.0439","0.0376","","","0.0948","0.0985","","","","","","1.066","","","","has coordinates","257277","2020-10-21","18:00:00",""
"1557608","11.3508","0.0018","12.914","0.002","20.597","0.004","90","","95.165","0.007","90","","3006.9","0.9","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H48 Cl2 N2 Ni O3 P2 U -","- C22 H48 Cl2 N2 Ni O3 P2 U -","- C88 H192 Cl8 N8 Ni4 O12 P8 U4 -","4","1","","Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing","Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands","Chemical Science","2020","11","29","7585","7592","10.1039/D0SC00389A","","","1.34139","GaKα","","0.1126","0.0977","","","0.2146","0.2235","","","","","","1.112","","","","has coordinates","257277","2020-10-21","18:00:00",""
"1557609","14.5223","0.0019","15.8953","0.0018","27.339","0.003","90","","103.728","0.003","90","","6130.6","1.3","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H96 Cl4 N4 Ni2 O5 P4 U2 -","- C44 H96 Cl4 N4 Ni2 O5 P4 U2 -","- C176 H384 Cl16 N16 Ni8 O20 P16 U8 -","4","1","","Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing","Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands","Chemical Science","2020","11","29","7585","7592","10.1039/D0SC00389A","","","0.71073","MoKα","","0.0591","0.0465","","","0.1383","0.1495","","","","","","1.002","","","","has coordinates","257277","2020-10-21","18:00:00",""
"1557610","12.208","0.003","12.209","0.003","17.048","0.004","108.557","0.007","90.701","0.008","108.839","0.007","2261","1","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H63 Cl2 N2 O3 P3 Pd U -","- C40 H63 Cl2 N2 O3 P3 Pd U -","- C80 H126 Cl4 N4 O6 P6 Pd2 U2 -","2","1","","Feng, Genfeng; McCabe, Karl N.; Wang, Shuao; Maron, Laurent; Zhu, Congqing","Construction of heterometallic clusters with multiple uranium‒metal bonds by using dianionic nitrogen‒phosphorus ligands","Chemical Science","2020","11","29","7585","7592","10.1039/D0SC00389A","","","1.34139","GaKα","","0.0359","0.0344","","","0.094","0.0956","","","","","","1.042","","","","has coordinates","257277","2020-10-21","18:00:00",""
"1557613","7.3975","0.0003","10.7485","0.0005","13.1441","0.0005","92.571","0.003","96.25","0.004","97.449","0.004","1028.29","0.08","292.1","0.3","292.1","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 O5 S -","- C22 H28 O5 S -","- C44 H56 O10 S2 -","2","1","","Zhang, Ye; Zheng, Tian-Lu; Cheng, Fu; Dai, Kun-Long; Zhang, Kun; Ma, Ai-Jun; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua; Tu, Yong-Qiang","Facile access to diverse all-carbon quaternary center containing spirobicycles by exploring a tandem Castro‒Stephens coupling/acyloxy shift/cyclization/semipinacol rearrangement sequence","Chemical Science","2020","11","15","3878","3884","10.1039/D0SC00102C","","x-ray","1.54184","CuKα","","0.0507","0.0428","","","0.1155","0.1223","","","","","","1.047","","","","has coordinates","257383","2020-10-21","18:00:00",""
"1557614","7.6688","0.0003","22.4305","0.0006","15.4747","0.0005","90","","101.329","0.004","90","","2610.02","0.15","292.89","0.12","292.89","0.12","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C120 H176 O24 -","8","2","","Zhang, Ye; Zheng, Tian-Lu; Cheng, Fu; Dai, Kun-Long; Zhang, Kun; Ma, Ai-Jun; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua; Tu, Yong-Qiang","Facile access to diverse all-carbon quaternary center containing spirobicycles by exploring a tandem Castro–Stephens coupling/acyloxy shift/cyclization/semipinacol rearrangement sequence","Chemical Science","2020","11","15","3878","3884","10.1039/D0SC00102C","","","1.54184","CuKα","","0.0551","0.0456","","","0.1221","0.1371","","","","","","1.063","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1557615","7.1285","0.0003","11.9273","0.0004","13.4833","0.0005","90","","104.629","0.004","90","","1109.24","0.08","294.06","0.1","294.06","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 O2 -","- C12 H20 O2 -","- C48 H80 O8 -","4","1","","Zhang, Ye; Zheng, Tian-Lu; Cheng, Fu; Dai, Kun-Long; Zhang, Kun; Ma, Ai-Jun; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua; Tu, Yong-Qiang","Facile access to diverse all-carbon quaternary center containing spirobicycles by exploring a tandem Castro‒Stephens coupling/acyloxy shift/cyclization/semipinacol rearrangement sequence","Chemical Science","2020","11","15","3878","3884","10.1039/D0SC00102C","","","1.54184","CuKα","","0.0457","0.0424","","","0.1158","0.1188","","","","","","1.062","","","","has coordinates","257383","2020-10-21","18:00:00",""
"1557616","7.2165","0.0003","8.3504","0.0003","11.317","0.0004","82.649","0.003","76.258","0.003","68.964","0.004","617.61","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C30 H40 O6 -","2","1","","Zhang, Ye; Zheng, Tian-Lu; Cheng, Fu; Dai, Kun-Long; Zhang, Kun; Ma, Ai-Jun; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua; Tu, Yong-Qiang","Facile access to diverse all-carbon quaternary center containing spirobicycles by exploring a tandem Castro‒Stephens coupling/acyloxy shift/cyclization/semipinacol rearrangement sequence","Chemical Science","2020","11","15","3878","3884","10.1039/D0SC00102C","","","1.54184","CuKα","","0.0473","0.0447","","","0.1181","0.1208","","","","","","1.084","","","","has coordinates","257383","2020-10-21","18:00:00",""
"1557617","10.3539","0.0002","19.9619","0.0004","11.8443","0.0003","90","","113.384","0.003","90","","2246.95","0.1","295","0.1","295","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N2 O3 S -","- C23 H28 N2 O3 S -","- C92 H112 N8 O12 S4 -","4","1","","Zhang, Ye; Zheng, Tian-Lu; Cheng, Fu; Dai, Kun-Long; Zhang, Kun; Ma, Ai-Jun; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua; Tu, Yong-Qiang","Facile access to diverse all-carbon quaternary center containing spirobicycles by exploring a tandem Castro‒Stephens coupling/acyloxy shift/cyclization/semipinacol rearrangement sequence","Chemical Science","2020","11","15","3878","3884","10.1039/D0SC00102C","","","1.54184","CuKα","","0.046","0.0406","","","0.1095","0.1146","","","","","","1.033","","","","has coordinates","257383","2020-10-21","18:00:00",""
"1557618","9.961","0.0003","17.5295","0.0006","13.2899","0.0004","90","","101.667","0.003","90","","2272.62","0.13","295.3","0.2","295.3","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 N2 O4 S -","- C22 H30 N2 O4 S -","- C88 H120 N8 O16 S4 -","4","1","","Zhang, Ye; Zheng, Tian-Lu; Cheng, Fu; Dai, Kun-Long; Zhang, Kun; Ma, Ai-Jun; Zhang, Fu-Min; Zhang, Xiao-Ming; Wang, Shao-Hua; Tu, Yong-Qiang","Facile access to diverse all-carbon quaternary center containing spirobicycles by exploring a tandem Castro‒Stephens coupling/acyloxy shift/cyclization/semipinacol rearrangement sequence","Chemical Science","2020","11","15","3878","3884","10.1039/D0SC00102C","","","1.54184","CuKα","","0.0666","0.0565","","","0.159","0.17","","","","","","1.046","","","","has coordinates","257383","2020-10-21","18:00:00",""
"1557622","11.0648","0.0004","12.5473","0.0005","15.4261","0.0005","78.272","0.001","71.155","0.001","88.709","0.001","1982.39","0.13","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H32 Cl N O3 P2 Pd -","- C35 H32 Cl N O3 P2 Pd -","- C70 H64 Cl2 N2 O6 P4 Pd2 -","2","1","","Li, Kangkang; Ye, Junhao; Wang, Zhen; Mu, Hongliang; Jian, Zhongbao","Indole-bridged bisphosphine-monoxide palladium catalysts for ethylene polymerization and copolymerization with polar monomers","Polymer Chemistry","2020","11","15","2740","2748","10.1039/D0PY00100G","","","1.54184","CuKα","","0.0473","0.0463","","","0.1246","0.1257","","","","","","1.065","","","","has coordinates","257949","2020-10-21","18:00:00",""
"1557623","11.2563","0.0006","12.7674","0.0007","14.3032","0.0008","67.146","0.002","74.271","0.002","78.535","0.002","1813.12","0.17","173","2","173","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H35 Cl4 N3 O3 P2 Pd -","- C28 H35 Cl4 N3 O3 P2 Pd -","- C56 H70 Cl8 N6 O6 P4 Pd2 -","2","1","","Li, Kangkang; Ye, Junhao; Wang, Zhen; Mu, Hongliang; Jian, Zhongbao","Indole-bridged bisphosphine-monoxide palladium catalysts for ethylene polymerization and copolymerization with polar monomers","Polymer Chemistry","2020","11","15","2740","2748","10.1039/D0PY00100G","","","1.54184","CuKα","","0.0589","0.0564","","","0.1462","0.1517","","","","","","1.041","","","","has coordinates,has disorder","257949","2020-10-21","18:00:00",""
"1557624","10.2352","0.0004","14.3325","0.0005","14.817","0.0005","65.248","0.001","83.2","0.001","79.814","0.001","1940.4","0.12","173","2","173","","","","","","","","","7","P -1","-P 1","2","","","","- C38 H45 Cl4 N O3 P2 Pd -","- C38 H45 Cl4 N O3 P2 Pd -","- C76 H90 Cl8 N2 O6 P4 Pd2 -","2","1","","Li, Kangkang; Ye, Junhao; Wang, Zhen; Mu, Hongliang; Jian, Zhongbao","Indole-bridged bisphosphine-monoxide palladium catalysts for ethylene polymerization and copolymerization with polar monomers","Polymer Chemistry","2020","11","15","2740","2748","10.1039/D0PY00100G","","","1.54184","CuKα","","0.0587","0.0542","","","0.1532","0.1606","","","","","","1.147","","","","has coordinates","257949","2020-10-21","18:00:00",""
"1557625","9.1199","0.0002","23.4191","0.0006","23.6083","0.0007","90","","90","","90","","5042.3","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","compound 1","","","- C48 H55 Au F6 N4 O11 S2 -","- C48 H55 Au F6 N4 O11 S2 -","- C192 H220 Au4 F24 N16 O44 S8 -","4","1","","Reid, Jolene P.; Hu, Mingyou; Ito, Susumu; Huang, Banruo; Hong, Cynthia M.; Xiang, Hengye; Sigman, Matthew S.; Toste, F. Dean","Strategies for remote enantiocontrol in chiral gold(iii) complexes applied to catalytic enantioselective γ,δ-Diels‒Alder reactions","Chemical Science","2020","11","25","6450","6456","10.1039/D0SC00497A","","x-ray","0.71073","MoKα","","0.0424","0.0309","","","0.0512","0.0529","","","","","","1.033","","","","has coordinates","257338","2020-10-21","18:00:00",""
"1557626","20.9953","0.0003","20.9953","0.0003","20.9953","0.0003","90","","90","","90","","9254.8","0.2","100","0.1","100","0.1","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","MOF-217","MOF-217","","- C21 H9 N3 O6 Ti -","- C21 H9 N3 O6 Ti -","- C168 H72 N24 O48 Ti8 -","8","0.333333","","Cao, Jing; Ma, Wenjie; Lyu, Kangjie; Zhuang, Lin; Cong, Hengjiang; Deng, Hexiang","Twist and sliding dynamics between interpenetrated frames in Ti-MOF revealing high proton conductivity","Chemical Science","2020","11","15","3978","3985","10.1039/C9SC06500H","","x-ray","1.54184","CuKα","","0.1243","0.114","","","0.3654","0.3772","","","","","","1.634","","","","has coordinates","257377","2020-10-21","18:00:00",""
"1557627","21.1222","0.0004","21.1222","0.0004","21.1222","0.0004","90","","90","","90","","9423.6","0.3","249.99","0.1","249.99","0.1","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C3.5 H1.5 N0.5 O Ti0.17 -","- C3.5 H1.5 N0.5 O Ti0.166667 -","- C168 H72 N24 O48 Ti8 -","48","2","","Cao, Jing; Ma, Wenjie; Lyu, Kangjie; Zhuang, Lin; Cong, Hengjiang; Deng, Hexiang","Twist and sliding dynamics between interpenetrated frames in Ti-MOF revealing high proton conductivity","Chemical Science","2020","11","15","3978","3985","10.1039/C9SC06500H","","x-ray","1.54184","CuKα","","0.1201","0.1083","","","0.3521","0.3639","","","","","","1.534","","","","has coordinates","257377","2020-10-21","18:00:00",""
"1557628","21.1205","0.0003","21.1205","0.0003","21.1205","0.0003","90","","90","","90","","9421.3","0.2","199.99","0.1","199.99","0.1","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C H N O Ti -","- C1.28244 H0.549618 N0.183206 O0.366412 Ti0.0610687 -","- C168 H72 N24 O48 Ti8 -","131","5.45833","","Cao, Jing; Ma, Wenjie; Lyu, Kangjie; Zhuang, Lin; Cong, Hengjiang; Deng, Hexiang","Twist and sliding dynamics between interpenetrated frames in Ti-MOF revealing high proton conductivity","Chemical Science","2020","11","15","3978","3985","10.1039/C9SC06500H","","x-ray","1.54184","CuKα","","0.1197","0.1096","","","0.3658","0.377","","","","","","1.624","","","","has coordinates","257377","2020-10-21","18:00:00",""
"1557633","7.3","0.005","11.867","0.008","15.598","0.009","78.16","0.04","80.45","0.04","88.78","0.05","1304.1","1.5","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H10 B Br F15 N -","- C26 H10 B Br F15 N -","- C52 H20 B2 Br2 F30 N2 -","2","1","","Aramaki, Yoshitaka; Imaizumi, Naoki; Hotta, Mao; Kumagai, Jun; Ooi, Takashi","Exploiting single-electron transfer in Lewis pairs for catalytic bond-forming reactions","Chemical Science","2020","11","17","4305","4311","10.1039/D0SC01159B","","","0.71075","MoKα","","0.1239","0.0518","","","0.1073","0.1267","","","","","","0.834","","","","has coordinates","257319","2020-10-21","18:00:00",""
"1557634","9.6311","0.0006","19.6619","0.0013","13.541","0.0009","90","","106.977","0.001","90","","2452.5","0.3","193","2","193","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BIP_CH2NEt2","2-(3?,5?-Di-tert-butyl-2?-hydroxyphenyl)-4-diethylmethyleneaminebenzimidazole","","- C26 H37 N3 O -","- C26 H37 N3 O -","- C104 H148 N12 O4 -","4","1","","Odella, Emmanuel; Mora, S. Jimena; Wadsworth, Brian L.; Goings, Joshua J.; Gervaldo, Miguel A.; Sereno, Leonides E.; Groy, Thomas L.; Gust, Devens; Moore, Thomas A.; Moore, Gary F.; Hammes-Schiffer, Sharon; Moore, Ana L.","Proton-coupled electron transfer across benzimidazole bridges in bioinspired proton wires","Chemical Science","2020","11","15","3820","3828","10.1039/C9SC06010C","","","0.71073","MoKα","","0.0831","0.0663","","","0.185","0.2005","","","","","","1.068","","","","has coordinates,has disorder","257385","2020-10-21","18:00:00",""
"1557635","33.136","0.004","6.8671","0.0008","30.967","0.004","90","","100.031","0.002","90","","6938.8","1.5","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","diBIP-Imine-OMe","7-(4-Methoxyphenyliminomethyl-1H-benzimidazole-2-yl)-2-(3,5-di-tert-butyl-2-hydroxyphenyl-1-yl)-1H-benzimidazole","","- C73 H76 Cl2 N10 O4 -","- C73 H76 Cl2 N10 O4 -","- C292 H304 Cl8 N40 O16 -","4","0.5","","Odella, Emmanuel; Mora, S. Jimena; Wadsworth, Brian L.; Goings, Joshua J.; Gervaldo, Miguel A.; Sereno, Leonides E.; Groy, Thomas L.; Gust, Devens; Moore, Thomas A.; Moore, Gary F.; Hammes-Schiffer, Sharon; Moore, Ana L.","Proton-coupled electron transfer across benzimidazole bridges in bioinspired proton wires","Chemical Science","2020","11","15","3820","3828","10.1039/C9SC06010C","","","0.71073","MoKα","","0.0977","0.0667","","","0.147","0.1607","","","","","","1.054","","","","has coordinates","257385","2020-10-21","18:00:00",""
"1557636","10.4608","0.0008","10.9006","0.001","12.5293","0.001","104.61","0.005","107.84","0.004","97.204","0.004","1283.78","0.19","150","2","149.72","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Anderson, Samantha L.; Tiana, Davide; Ireland, Christopher P.; Capano, Gloria; Fumanal, Maria; Gładysiak, Andrzej; Kampouri, Stavroula; Rahmanudin, Aiman; Guijarro, Néstor; Sivula, Kevin; Stylianou, Kyriakos C.; Smit, Berend","Taking lanthanides out of isolation: tuning the optical properties of metal‒organic frameworks","Chemical Science","2020","11","16","4164","4170","10.1039/D0SC00740D","","","0.71073","MoKα","","0.0211","0.018","","","0.0421","0.0433","","","","","","1.08","","","","has coordinates,has disorder","257336","2020-10-21","18:00:00",""
"1557637","13.388","0.003","6.6366","0.0012","15.567","0.002","90","","98.599","0.014","90","","1367.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N O7 Tb -","- C11 H10 N O7 Tb -","- C44 H40 N4 O28 Tb4 -","4","1","","Anderson, Samantha L.; Tiana, Davide; Ireland, Christopher P.; Capano, Gloria; Fumanal, Maria; Gładysiak, Andrzej; Kampouri, Stavroula; Rahmanudin, Aiman; Guijarro, Néstor; Sivula, Kevin; Stylianou, Kyriakos C.; Smit, Berend","Taking lanthanides out of isolation: tuning the optical properties of metal‒organic frameworks","Chemical Science","2020","11","16","4164","4170","10.1039/D0SC00740D","","","0.71073","MoKα","","0.0681","0.0369","","","0.0495","0.0552","","","","","","1.055","","","","has coordinates,has disorder","257336","2020-10-21","18:00:00",""
"1557638","5.9915","0.0004","29.952","0.002","7.8574","0.0005","90","","95.092","0.002","90","","1404.5","0.16","296","2","296.6","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O2 S2 -","- C15 H11 N O2 S2 -","- C60 H44 N4 O8 S8 -","4","1","","Gao, Wen-Chao; Tian, Jun; Shang, Yu-Zhu; Jiang, Xuefeng","Steric and stereoscopic disulfide construction for cross-linkage via N-dithiophthalimides","Chemical Science","2020","11","15","3903","3908","10.1039/D0SC01060J","","","0.71073","MoKα","","0.0789","0.0615","","","0.1196","0.1252","","","","","","1.172","","","","has coordinates","257381","2020-10-21","18:00:00",""
"1557639","9.234","0.0003","9.723","0.0003","10.6174","0.0003","99.463","0.002","113.869","0.003","105.929","0.003","796.06","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 O3 S2 -","- C18 H15 O3 S2 -","- C36 H30 O6 S4 -","2","1","","Gao, Wen-Chao; Tian, Jun; Shang, Yu-Zhu; Jiang, Xuefeng","Steric and stereoscopic disulfide construction for cross-linkage via N-dithiophthalimides","Chemical Science","2020","11","15","3903","3908","10.1039/D0SC01060J","","x-ray","1.54184","CuKα","","0.0402","0.0396","","","0.1062","0.1067","","","","","","1.037","","","","has coordinates","257381","2020-10-21","18:00:00",""
"1557640","23.8898","0.0002","6.7617","0.0001","24.8099","0.0002","90","","102.215","0.001","90","","3916.95","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H27 Br O3 S2 -","- C30 H27 Br O3 S2 -","- C180 H162 Br6 O18 S12 -","6","3","","Gao, Wen-Chao; Tian, Jun; Shang, Yu-Zhu; Jiang, Xuefeng","Steric and stereoscopic disulfide construction for cross-linkage via N-dithiophthalimides","Chemical Science","2020","11","15","3903","3908","10.1039/D0SC01060J","","x-ray","1.54184","CuKα","","0.0385","0.037","","","0.0959","0.0971","","","","","","1.043","","","","has coordinates","257381","2020-10-21","18:00:00",""
"1557644","22.436","0.004","22.436","0.004","38.165","0.008","90","","90","","90","","19211","6","296","2","296","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C112 H192 In26 Mn4 N32 S51 -","- In26 Mn4 S51 -","- In104 Mn16 S204 -","4","0.25","","Xue, Chaozhuang; Fan, Xing; Zhang, Jiaxu; Hu, Dandan; Wang, Xiao-Li; Wang, Xiang; Zhou, Rui; Lin, Haiping; Li, Youyong; Li, Dong-Sheng; Wei, Xiao; Zheng, Daoyuan; Yang, Yang; Han, Keli; Wu, Tao","Direct observation of charge transfer between molecular heterojunctions based on inorganic semiconductor clusters","Chemical Science","2020","11","16","4085","4096","10.1039/D0SC00458H","","","0.71073","MoKα","","0.0946","0.0514","","","0.1645","0.2018","","","","","","1.175","","","","has coordinates","257333","2020-10-21","18:00:00",""
"1557645","22.329","0.002","22.329","0.002","38.059","0.003","90","","90","","90","","18976","3","120","2","120","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C112 H192 Fe4 In26 N32 O0 S51 -","- Fe4 In26 S51 -","- Fe16 In104 S204 -","4","0.25","","Xue, Chaozhuang; Fan, Xing; Zhang, Jiaxu; Hu, Dandan; Wang, Xiao-Li; Wang, Xiang; Zhou, Rui; Lin, Haiping; Li, Youyong; Li, Dong-Sheng; Wei, Xiao; Zheng, Daoyuan; Yang, Yang; Han, Keli; Wu, Tao","Direct observation of charge transfer between molecular heterojunctions based on inorganic semiconductor clusters","Chemical Science","2020","11","16","4085","4096","10.1039/D0SC00458H","","","0.71073","MoKα","","0.1319","0.0827","","","0.2055","0.264","","","","","","1.326","","","","has coordinates","257333","2020-10-21","18:00:00",""
"1557646","8.9606","0.0003","9.9217","0.0004","11.8105","0.0004","72.29","0.003","88.75","0.003","63.972","0.004","891.12","0.07","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 Br O5 -","- C19 H19 Br O5 -","- C38 H38 Br2 O10 -","2","1","","Zhao, Qiang; Jin, Ji-Kang; Wang, Jie; Zhang, Feng-Lian; Wang, Yi-Feng","Radical α-addition involved electrooxidative [3 + 2] annulation of phenols and electron-deficient alkenes","Chemical Science","2020","11","15","3909","3913","10.1039/D0SC01078B","","","1.54184","CuKα","","0.0312","0.0299","","","0.0782","0.0795","","","","","","1.047","","","","has coordinates","257382","2020-10-21","18:00:00",""
"1557647","11.3991","0.0007","63.596","0.003","13.7285","0.0008","90","","92.383","0.002","90","","9943.7","1","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Fe3 Ho Li3 O6 -","- C54 H72 Fe3 Ho Li3 O6 -","- C432 H576 Fe24 Ho8 Li24 O48 -","8","2","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.1061","0.0848","","","0.1426","0.1511","","","","","","1.224","","","","has coordinates,has disorder","257384","2020-10-21","18:00:00",""
"1557648","11.3774","0.0012","63.872","0.007","13.7293","0.0015","90","","92.491","0.004","90","","9967.6","1.9","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Fe3 Gd Li3 O6 -","- C54 H72 Fe3 Gd Li3 O6 -","- C432 H576 Fe24 Gd8 Li24 O48 -","8","2","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.0802","0.0685","","","0.1267","0.1323","","","","","","1.274","","","","has coordinates,has disorder","257384","2020-10-21","18:00:00",""
"1557649","11.4155","0.0006","63.489","0.003","13.73","0.0007","90","","92.17","0.002","90","","9943.8","0.9","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Fe3 Li3 O6 Yb -","- C54 H72 Fe3 Li3 O6 Yb -","- C432 H576 Fe24 Li24 O48 Yb8 -","8","2","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.0862","0.0774","","","0.1571","0.1617","","","","","","1.294","","","","has coordinates","257384","2020-10-21","18:00:00",""
"1557650","11.3389","0.0004","13.7172","0.0005","36.2329","0.0012","90","","95.344","0.001","90","","5611.1","0.3","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H84 Fe3 Ho Li3 O6 -","- C60 H84 Fe3 Ho Li3 O6 -","- C240 H336 Fe12 Ho4 Li12 O24 -","4","1","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.0998","0.0931","","","0.1648","0.1666","","","","","","1.353","","","","has coordinates,has disorder","257384","2020-10-21","18:00:00",""
"1557651","21.206","0.0009","22.6446","0.001","23.1321","0.0011","90","","90","","90","","11108.1","0.9","110","","110","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64.38 H58.38 Fe3 Ho Li3 N6.88 -","- C64.375 H58.375 Fe3 Ho Li3 N6.875 -","- C515 H467 Fe24 Ho8 Li24 N55 -","8","2","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.092","0.0494","","","0.0932","0.1135","","","","","","1.018","","","","has coordinates,has disorder","257384","2020-10-21","18:00:00",""
"1557652","11.4149","0.0016","63.246","0.009","13.743","0.0019","90","","92.282","0.004","90","","9914","2","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Fe3 Li3 Lu O6 -","- C54 H72 Fe3 Li3 Lu O6 -","- C432 H576 Fe24 Li24 Lu8 O48 -","8","2","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","x-ray","0.71073","MoKα","","0.0749","0.0666","","","0.1537","0.1603","","","","","","1.125","","","","has coordinates,has disorder","257384","2020-10-21","18:00:00",""
"1557653","11.4199","0.0015","63.606","0.008","13.7467","0.0019","90","","92.28","0.003","90","","9977","2","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Fe3 Li3 O6 Tm -","- C54 H72 Fe3 Li3 O6 Tm -","- C432 H576 Fe24 Li24 O48 Tm8 -","8","2","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","x-ray","0.71073","MoKα","","0.0404","0.04","","","0.0919","0.092","","","","","","1.409","","","","has coordinates,has disorder","257384","2020-10-21","18:00:00",""
"1557654","11.4007","0.0011","63.598","0.006","13.7293","0.0014","90","","92.262","0.004","90","","9946.8","1.7","110","","110","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 Er Fe3 Li3 O6 -","- C54 H72 Er Fe3 Li3 O6 -","- C432 H576 Er8 Fe24 Li24 O48 -","8","2","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.0567","0.0493","","","0.0938","0.0967","","","","","","1.265","","","","has coordinates,has disorder","257384","2020-10-21","18:00:00",""
"1557655","20.62","0.003","32.856","0.004","25.081","0.004","90","","104.923","0.01","90","","16419","4","120","","120","","","","","","","","","6","I 1 a 1","I -2ya","9","","","","- C58 H80 Fe3 Li3 Lu O7 -","- C58 H80 Fe3 Li3 Lu O7 -","- C696 H960 Fe36 Li36 Lu12 O84 -","12","3","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.1014","0.0876","","","0.2237","0.2475","","","","","","1.024","","","","has coordinates","257384","2020-10-21","18:00:00",""
"1557656","28.077","0.003","32.756","0.004","20.619","0.002","90","","120.475","0.002","90","","16343","3","110","","110","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C58 H80 Fe3 Li3 O7 Yb -","- C58 H80 Fe3 Li3 O7 Yb -","- C696 H960 Fe36 Li36 O84 Yb12 -","12","3","","Latendresse, Trevor P.; Vieru, Veacheslav; Upadhyay, Apoorva; Bhuvanesh, Nattamai S.; Chibotaru, Liviu F.; Nippe, Michael","Trends in trigonal prismatic Ln-[1]ferrocenophane complexes and discovery of a Ho3+ single-molecule magnet","Chemical Science","2020","11","15","3936","3951","10.1039/D0SC01197E","","","0.71073","MoKα","","0.0485","0.0414","","","0.0963","0.1054","","","","","","1.109","","","","has coordinates","257384","2020-10-21","18:00:00",""
"1557674","6.2162","0.0005","12.5583","0.0008","20.7881","0.0012","92.381","0.005","98.293","0.006","100.115","0.006","1577.16","0.19","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C12 H18 O -","- C12 H18 O -","- C72 H108 O6 -","6","3","","Nelson, Ronald; Calvelo, Martín; García-Fandiño, Rebeca; Lledós, Agustí; Ujaque, Gregori; Mascareñas, José L.; López, Fernando","Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways","Chemical Science","2020","11","16","4209","4220","10.1039/D0SC00650E","","x-ray","1.54184","CuKα","","0.1114","0.0591","","","0.131","0.1549","","","","","","1.012","","","","has coordinates","257334","2020-10-21","18:00:00",""
"1557675","19.54","0.003","8.3364","0.0013","11.3992","0.0016","90","","95.016","0.009","90","","1849.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RN5 - 347 - 18MCD005","","","- C19 H24 N2 O6 -","- C19 H24 N2 O6 -","- C76 H96 N8 O24 -","4","1","","Nelson, Ronald; Calvelo, Martín; García-Fandiño, Rebeca; Lledós, Agustí; Ujaque, Gregori; Mascareñas, José L.; López, Fernando","Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways","Chemical Science","2020","11","16","4209","4220","10.1039/D0SC00650E","","","0.71073","MoKα","","0.1296","0.0547","","","0.119","0.1486","","","","","","0.938","","","","has coordinates","257334","2020-10-21","18:00:00",""
"1557676","23.4244","0.001","6.2336","0.0003","13.0105","0.0006","90","","90.557","0.002","90","","1899.68","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","RN1-601","","","- C19 H34 O Si -","- C19 H34 O Si -","- C76 H136 O4 Si4 -","4","1","","Nelson, Ronald; Calvelo, Martín; García-Fandiño, Rebeca; Lledós, Agustí; Ujaque, Gregori; Mascareñas, José L.; López, Fernando","Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways","Chemical Science","2020","11","16","4209","4220","10.1039/D0SC00650E","","x-ray","0.71073","MoKα","","0.0818","0.049","","","0.1088","0.1226","","","","","","1.028","","","","has coordinates","257334","2020-10-21","18:00:00",""
"1557677","22.3413","0.0004","22.3413","0.0004","8.6532","0.0002","90","","90","","90","","4319.1","0.15","100","2","100","2","","","","","","","","3","I 41/a :2","-I 4ad","88","LM1RN5-137","","","- C12 H18 O -","- C12 H18 O -","- C192 H288 O16 -","16","1","","Nelson, Ronald; Calvelo, Martín; García-Fandiño, Rebeca; Lledós, Agustí; Ujaque, Gregori; Mascareñas, José L.; López, Fernando","Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways","Chemical Science","2020","11","16","4209","4220","10.1039/D0SC00650E","","x-ray","0.71073","MoKα","","0.0562","0.0434","","","0.1175","0.1299","","","","","","1.028","","","","has coordinates","257334","2020-10-21","18:00:00",""
"1557678","11.4263","0.0002","19.625","0.0003","15.7208","0.0004","90","","90","","90","","3525.25","0.12","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","RN5-163","","","- C20 H23 Br O2 -","- C20 H23 Br O2 -","- C160 H184 Br8 O16 -","8","2","","Nelson, Ronald; Calvelo, Martín; García-Fandiño, Rebeca; Lledós, Agustí; Ujaque, Gregori; Mascareñas, José L.; López, Fernando","Skeletal diversity in Pt- and Au-catalyzed annulations of allenedienes: dissecting unconventional mechanistic pathways","Chemical Science","2020","11","16","4209","4220","10.1039/D0SC00650E","","","0.71073","MoKα","","0.071","0.0386","","","0.0685","0.0757","","","","","","0.973","","","","has coordinates","257334","2020-10-21","18:00:00",""
"1557679","27.395","0.0016","44.055","0.004","14.5103","0.0008","90","","100.575","0.005","90","","17215","2","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H114 Fe N4 Na4 Zn4 -","- C62 H114 Fe N4 Na4 Zn4 -","- C620 H1140 Fe10 N40 Na40 Zn40 -","10","1.25","","Honeyman, Gordon W.; Armstrong, David R.; Clegg, William; Hevia, Eva; Kennedy, Alan R.; McLellan, Ross; Orr, Samantha A.; Parkinson, John A.; Ramsay, Donna L.; Robertson, Stuart D.; Towie, Stephen; Mulvey, Robert E.","A regioselectively 1,1′,3,3′-tetrazincated ferrocene complex displaying core and peripheral reactivity","Chemical Science","2020","11","25","6510","6520","10.1039/D0SC01612H","","","1.54184","CuKα","","0.1356","0.1091","","","0.2413","0.2567","","","","","","1.106","","","","has coordinates,has disorder","257340","2020-10-21","18:00:00",""
"1557680","8.8556","0.0002","17.4144","0.0004","23.9796","0.0005","90","","90","","90","","3698.01","0.14","123.05","0.1","123.05","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H42 N7 Na Zn -","- C39 H42 N7 Na Zn -","- C156 H168 N28 Na4 Zn4 -","4","1","","Honeyman, Gordon W.; Armstrong, David R.; Clegg, William; Hevia, Eva; Kennedy, Alan R.; McLellan, Ross; Orr, Samantha A.; Parkinson, John A.; Ramsay, Donna L.; Robertson, Stuart D.; Towie, Stephen; Mulvey, Robert E.","A regioselectively 1,1′,3,3′-tetrazincated ferrocene complex displaying core and peripheral reactivity","Chemical Science","2020","11","25","6510","6520","10.1039/D0SC01612H","","x-ray","1.54184","CuKα","","0.0603","0.04","","","0.0824","0.0871","","","","","","0.883","","","","has coordinates","257340","2020-10-21","18:00:00",""
"1557681","14.895","0.002","26.966","0.004","18.622","0.003","90","","111.871","0.002","90","","6941.3","1.8","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C68 H110 Fe N4 Na4 Zn4 -","- C68 H110 Fe N4 Na4 Zn4 -","- C272 H440 Fe4 N16 Na16 Zn16 -","4","1","","Honeyman, Gordon W.; Armstrong, David R.; Clegg, William; Hevia, Eva; Kennedy, Alan R.; McLellan, Ross; Orr, Samantha A.; Parkinson, John A.; Ramsay, Donna L.; Robertson, Stuart D.; Towie, Stephen; Mulvey, Robert E.","A regioselectively 1,1′,3,3′-tetrazincated ferrocene complex displaying core and peripheral reactivity","Chemical Science","2020","11","25","6510","6520","10.1039/D0SC01612H","","","0.6814","synchrotron","","0.1098","0.0778","","","0.1708","0.1859","","","","","","1.043","","","","has coordinates","257340","2020-10-21","18:00:00",""
"1557682","12.9797","0.0005","15.0261","0.0006","15.9756","0.0008","99.482","0.004","90.798","0.004","99.459","0.003","3028.7","0.2","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C55 H102 Fe N6 Na2 Zn2 -","- C55 H102 Fe N6 Na2 Zn2 -","- C110 H204 Fe2 N12 Na4 Zn4 -","2","1","","Honeyman, Gordon W.; Armstrong, David R.; Clegg, William; Hevia, Eva; Kennedy, Alan R.; McLellan, Ross; Orr, Samantha A.; Parkinson, John A.; Ramsay, Donna L.; Robertson, Stuart D.; Towie, Stephen; Mulvey, Robert E.","A regioselectively 1,1′,3,3′-tetrazincated ferrocene complex displaying core and peripheral reactivity","Chemical Science","2020","11","25","6510","6520","10.1039/D0SC01612H","","","0.71073","MoKα","","0.0806","0.0466","","","0.0997","0.1154","","","","","","1.013","","","","has coordinates,has disorder","257340","2020-10-21","18:00:00",""
"1557687","11.3959","0.0004","8.8582","0.0003","26.7626","0.001","90","","91.58","0.001","90","","2700.58","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 F3 N3 O3 S -","- C26 H39 F3 N3 O3 S -","- C104 H156 F12 N12 O12 S4 -","4","1","","Messelberger, Julian; Grünwald, Annette; Goodner, Stephen J.; Zeilinger, Florian; Pinter, Piermaria; Miehlich, Matthias E.; Heinemann, Frank W.; Hansmann, Max M.; Munz, Dominik","Aromaticity and sterics control whether a cationic olefin radical is resistant to disproportionation","Chemical Science","2020","11","16","4138","4149","10.1039/D0SC00699H","","","0.71073","MoKα","","0.0538","0.0416","","","0.1005","0.11","","","","","","1.051","","","","has coordinates,has disorder","257335","2020-10-21","18:00:00",""
"1557688","14.9305","0.0009","11.67","0.0007","16.4062","0.0009","90","","109.508","0.002","90","","2694.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H39 F3 N3 O3 S -","- C26 H39 F3 N3 O3 S -","- C104 H156 F12 N12 O12 S4 -","4","1","","Messelberger, Julian; Grünwald, Annette; Goodner, Stephen J.; Zeilinger, Florian; Pinter, Piermaria; Miehlich, Matthias E.; Heinemann, Frank W.; Hansmann, Max M.; Munz, Dominik","Aromaticity and sterics control whether a cationic olefin radical is resistant to disproportionation","Chemical Science","2020","11","16","4138","4149","10.1039/D0SC00699H","","","0.71073","MoKα","","0.0642","0.0577","","","0.1268","0.1305","","","","","","1.083","","","","has coordinates,has disorder","257335","2020-10-21","18:00:00",""
"1557695","11.129","0.002","9.485","0.0018","18.178","0.004","90","","90.821","0.003","90","","1918.6","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N O -","- C24 H23 N O -","- C96 H92 N4 O4 -","4","1","","Liu, Zhengfen; Li, Minyan; Deng, Guogang; Wei, Wanshi; Feng, Ping; Zi, Quanxing; Li, Tiantian; Zhang, Hongbin; Yang, Xiaodong; Walsh, Patrick J.","Transition-metal-free C(sp3)‒H/C(sp3)‒H dehydrogenative coupling of saturated heterocycles with N-benzyl imines","Chemical Science","2020","11","29","7619","7625","10.1039/D0SC00031K","","","0.71073","MoKα","","0.1098","0.0534","","","0.1461","0.1717","","","","","","0.986","","","","has coordinates","257281","2020-10-21","18:00:00",""
"1557696","10.9067","0.0003","9.988","0.0003","18.4338","0.0005","90","","94.55","0.001","90","","2001.78","0.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 N2 O -","- C25 H26 N2 O -","- C100 H104 N8 O4 -","4","1","","Liu, Zhengfen; Li, Minyan; Deng, Guogang; Wei, Wanshi; Feng, Ping; Zi, Quanxing; Li, Tiantian; Zhang, Hongbin; Yang, Xiaodong; Walsh, Patrick J.","Transition-metal-free C(sp3)‒H/C(sp3)‒H dehydrogenative coupling of saturated heterocycles with N-benzyl imines","Chemical Science","2020","11","29","7619","7625","10.1039/D0SC00031K","","","1.54178","CuKα","","0.0443","0.0427","","","0.1586","0.1627","","","","","","1.397","","","","has coordinates","257281","2020-10-21","18:00:00",""
"1557708","10.8161","0.0006","8.4185","0.0005","16.7407","0.0011","90","","97.266","0.002","90","","1512.09","0.16","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C76 H76 N4 O8 -","4","1","","Zheng, Shuai; Zhang, Shuo-Qing; Saeednia, Borna; Zhou, Jiawang; Anna, Jessica M.; Hong, Xin; Molander, Gary A.","Diastereoselective olefin amidoacylation via photoredox PCET/nickel-dual catalysis: reaction scope and mechanistic insights","Chemical Science","2020","11","16","4131","4137","10.1039/D0SC01459A","","","0.71073","MoKα","","0.045","0.0379","","","0.0895","0.0944","","","","","","1.123","","","","has coordinates","257332","2020-10-21","18:00:00",""
"1557732","10.3043","0.0004","10.5271","0.0005","21.1147","0.0009","88.634","0.001","86.866","0.002","70.331","0.001","2153.5","0.16","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C53 H39 N5 O2 S -","- C53 H39 N5 O2 S -","- C106 H78 N10 O4 S2 -","2","1","","Lv, Chunyan; Liu, Wangwang; Luo, Qing; Yi, Haiyan; Yu, Huakang; Yang, Zhongmin; Zou, Bo; Zhang, Yujian","A highly emissive AIE-active luminophore exhibiting deep-red to near-infrared piezochromism and high-quality lasing","Chemical Science","2020","11","15","4007","4015","10.1039/D0SC01095B","","","0.71073","MoKα","","0.1163","0.0558","","","0.112","0.1385","","","","","","1.026","","","","has coordinates","257378","2020-10-21","18:00:00",""
"1557737","32.6262","0.0018","32.6262","0.0018","73.225","0.005","90","","90","","120","","67503","7","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C114 H810 Mo132 N46 O708 S2 -","- C78.6 H49.5 Mo132 O584.94 -","- C235.8 H148.5 Mo396 O1754.82 -","3","0.166667","","Pow, Robert W.; Xuan, Weimin; Long, De-Liang; Bell, Nicola L.; Cronin, Leroy","Embedding alkenes within an icosahedral inorganic fullerene {(NH4)42[Mo132O372(L)30(H2O)72]} for trapping volatile organics","Chemical Science","2020","11","9","2388","2393","10.1039/C9SC06217C","","","0.71073","MoKα","","0.0775","0.0591","","","0.1527","0.1884","","","","","","1.152","","","","has coordinates,has disorder","257371","2020-10-21","18:00:00",""
"1557738","32.3898","0.0003","32.3898","0.0003","72.8225","0.0007","90","","90","","120","","66162.6","1.1","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C120 H806 Mo132 N48 O676 S3 -","- C120 H150 Mo132 O572.1 -","- C360 H450 Mo396 O1716.3 -","3","0.166667","","Pow, Robert W.; Xuan, Weimin; Long, De-Liang; Bell, Nicola L.; Cronin, Leroy","Embedding alkenes within an icosahedral inorganic fullerene {(NH4)42[Mo132O372(L)30(H2O)72]} for trapping volatile organics","Chemical Science","2020","11","9","2388","2393","10.1039/C9SC06217C","","","0.6889","Synchrotron","","0.0698","0.064","","","0.2086","0.2176","","","","","","1.082","","","","has coordinates,has disorder","257371","2020-10-21","18:00:00",""
"1557739","32.4465","0.0002","32.4465","0.0002","72.887","0.0005","90","","90","","120","","66453.3","0.7","150","2","150","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C120 H926 Mo132 N48 O736 S3 -","- C115.8 H100.2 Mo132 O580.2 -","- C347.4 H300.6 Mo396 O1740.6 -","3","0.166667","","Pow, Robert W.; Xuan, Weimin; Long, De-Liang; Bell, Nicola L.; Cronin, Leroy","Embedding alkenes within an icosahedral inorganic fullerene {(NH4)42[Mo132O372(L)30(H2O)72]} for trapping volatile organics","Chemical Science","2020","11","9","2388","2393","10.1039/C9SC06217C","","","0.6889","Synchrotron","","0.0661","0.0598","","","0.1943","0.2012","","","","","","1.066","","","","has coordinates,has disorder","257371","2020-10-21","18:00:00",""
"1557747","10.6954","0.0005","29.2218","0.0014","28.2691","0.0015","90","","95.3952","0.0016","90","","8796.1","0.8","150","2","149.97","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H96 Ca2 Cl N6 O36 V12 -","- C44 H96 Ca2 Cl N6 O36 V12 -","- C176 H384 Ca8 Cl4 N24 O144 V48 -","4","1","","Greiner, Simon; Schwarz, Benjamin; Ringenberg, Mark; Dürr, Maximilian; Ivanovic-Burmazovic, Ivana; Fichtner, Maximilian; Anjass, Montaha; Streb, Carsten","Redox-inactive ions control the redox-activity of molecular vanadium oxides","Chemical Science","2020","11","17","4450","4455","10.1039/D0SC01401J","","","0.71073","MoKα","","0.096","0.0815","","","0.1795","0.1883","","","","","","1.165","","","","has coordinates,has disorder","257321","2020-10-21","18:00:00",""
"1557749","7.3222","0.0002","16.3645","0.0005","22.9119","0.0006","90","","90","","90","","2745.4","0.13","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","((S)-3-(2,6-diethylbenzyl)-1-(5-(trifluoromethyl)pyridin-2-yl)-3,4-dihydroisoquinoline) palladium(II) chloride","","- C27 H27 Cl4 F3 N2 Pd -","- C27 H27 Cl4 F3 N2 Pd -","- C108 H108 Cl16 F12 N8 Pd4 -","4","1","","Baek, Doohyun; Ryu, Huijeong; Ryu, Ji Yeon; Lee, Junseong; Stoltz, Brian M.; Hong, Sukwon","Catalytic enantioselective synthesis of tetrasubstituted chromanones via palladium-catalyzed asymmetric conjugate arylation using chiral pyridine-dihydroisoquinoline ligands","Chemical Science","2020","11","18","4602","4607","10.1039/D0SC00412J","","","0.71073","MoKα","","0.0676","0.0441","","","0.0932","0.1018","","","","","","0.996","","","","has coordinates","257389","2020-10-21","18:00:00",""
"1557750","23.2747","0.0004","6.7781","0.0001","10.2443","0.0002","90","","91.9349","0.0017","90","","1615.2","0.05","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","(S)-2-(4-(tert-butyl)phenyl)-2-methylchroman-4-one","","- C20 H22 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","1","","Baek, Doohyun; Ryu, Huijeong; Ryu, Ji Yeon; Lee, Junseong; Stoltz, Brian M.; Hong, Sukwon","Catalytic enantioselective synthesis of tetrasubstituted chromanones via palladium-catalyzed asymmetric conjugate arylation using chiral pyridine-dihydroisoquinoline ligands","Chemical Science","2020","11","18","4602","4607","10.1039/D0SC00412J","","","0.71073","MoKα","","0.0315","0.0306","","","0.0793","0.0802","","","","","","1.043","","","","has coordinates","257389","2020-10-21","18:00:00",""
"1557760","7.5797","0.0007","9.1057","0.0009","27.371","0.003","90","","95.218","0.001","90","","1881.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 S3 Sb -","- C6 H11 S3 Sb -","- C48 H88 S24 Sb8 -","8","2","","Moaven, Shiva; Watson, Brandon T.; Thompson, Shelby B.; Lyons, Veronica J.; Unruh, Daniel K.; Casadonte, Dominick J.; Pappas, Dimitri; Cozzolino, Anthony F.","Self-assembly of reversed bilayer vesicles through pnictogen bonding: water-stable supramolecular nanocontainers for organic solvents","Chemical Science","2020","11","17","4374","4380","10.1039/D0SC00206B","","","0.71073","MoKα","","0.0212","0.0178","","","0.0412","0.0429","","","","","","1.069","","","","has coordinates","257318","2020-10-21","18:00:00",""
"1557761","13.2446","0.0005","13.7731","0.0005","20.2266","0.0008","94.923","0.003","102.959","0.003","114.918","0.004","3192.4","0.3","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C71 H53 B Cl2 F20 N2 -","- C71 H53 B Cl2 F20 N2 -","- C142 H106 B2 Cl4 F40 N4 -","2","1","","Dong, Zhaowen; Pezzato, Cristian; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay","SET processes in Lewis acid‒base reactions: the tritylation of N-heterocyclic carbenes","Chemical Science","2020","11","29","7615","7618","10.1039/D0SC01278E","","x-ray","1.54184","CuKα","","0.0542","0.0433","","","0.1097","0.1185","","","","","","1.025","","","","has coordinates","257282","2020-10-21","18:00:00",""
"1557762","8.40488","0.00013","18.0272","0.0003","11.0843","0.00015","90","","91.4773","0.0013","90","","1678.9","0.04","140","0.1","140","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H21 B F20 N2 -","- C35 H21 B F20 N2 -","- C70 H42 B2 F40 N4 -","2","1","","Dong, Zhaowen; Pezzato, Cristian; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay","SET processes in Lewis acid‒base reactions: the tritylation of N-heterocyclic carbenes","Chemical Science","2020","11","29","7615","7618","10.1039/D0SC01278E","","x-ray","1.54184","CuKα","","0.0284","0.028","","","0.0772","0.0774","","","","","","1.065","","","","has coordinates","257282","2020-10-21","18:00:00",""
"1557763","12.4784","0.0002","12.6328","0.0003","17.6483","0.0005","69.366","0.002","84.7909","0.0018","78.9069","0.0016","2554.12","0.11","140","0.1","140","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C52 H39 B Cl2 F20 N2 -","- C52 H39 B Cl2 F20 N2 -","- C104 H78 B2 Cl4 F40 N4 -","2","1","","Dong, Zhaowen; Pezzato, Cristian; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay","SET processes in Lewis acid‒base reactions: the tritylation of N-heterocyclic carbenes","Chemical Science","2020","11","29","7615","7618","10.1039/D0SC01278E","","x-ray","1.54184","CuKα","","0.054","0.052","","","0.1491","0.151","","","","","","1.022","","","","has coordinates,has disorder","257282","2020-10-21","18:00:00",""
"1557764","18.0482","0.0003","18.05071","0.00019","34.8012","0.0005","90","","90","","90","","11337.6","0.3","140","0.1","140","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C64 H39 B F20 N2 -","- C64 H39 B F20 N2 -","- C512 H312 B8 F160 N16 -","8","1","","Dong, Zhaowen; Pezzato, Cristian; Sienkiewicz, Andrzej; Scopelliti, Rosario; Fadaei-Tirani, Farzaneh; Severin, Kay","SET processes in Lewis acid‒base reactions: the tritylation of N-heterocyclic carbenes","Chemical Science","2020","11","29","7615","7618","10.1039/D0SC01278E","","x-ray","1.54184","CuKα","","0.0453","0.0402","","","0.1068","0.1109","","","","","","1.046","","","","has coordinates","257282","2020-10-21","18:00:00",""
"1557765","26.3104","0.0004","8.4587","0.0001","15.7403","0.0003","90","","93.63","0.001","90","","3496","0.09","109","","109","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","zinc(II) hexathiocyantosbismuthate(III)","","- C12 Bi2 N12 S12 Zn3 -","- C12 Bi2 N12 S12 Zn3 -","- C48 Bi8 N48 S48 Zn12 -","4","0.5","","Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P.","The structures of ordered defects in thiocyanate analogues of Prussian Blue","Chemical Science","2020","11","17","4430","4438","10.1039/D0SC01246G","","x-ray","0.71073","MoKα","","0.0336","0.0259","","","0.0568","0.0596","","","","","","1.067","","","","has coordinates","257320","2020-10-21","18:00:00",""
"1557766","17.7331","0.0006","13.6501","0.0004","16.4375","0.0004","90","","114.397","0.0012","90","","3623.55","0.19","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","zinc hexathiocyanatobismuthate","","- C12 Bi2 N12 S12 Zn3 -","- C12 Bi2 N12 S12 Zn3 -","- C48 Bi8 N48 S48 Zn12 -","4","1","","Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P.","The structures of ordered defects in thiocyanate analogues of Prussian Blue","Chemical Science","2020","11","17","4430","4438","10.1039/D0SC01246G","","x-ray","0.71073","MoKα","","0.078","0.0507","","","0.1078","0.1206","","","","","","1.046","","","","has coordinates","257320","2020-10-21","18:00:00",""
"1557767","8.3065","0.0002","25.8428","0.0006","12.2664","0.0003","90","","90.2358","0.0013","90","","2633.12","0.11","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","manganese hexathiocyanatobismuthate thiocyanate heptahydrate","","- C7 H14 Bi Mn2 N7 O7 S7 -","- C7 H14 Bi Mn2 N7 O7 S7 -","- C28 H56 Bi4 Mn8 N28 O28 S28 -","4","1","","Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P.","The structures of ordered defects in thiocyanate analogues of Prussian Blue","Chemical Science","2020","11","17","4430","4438","10.1039/D0SC01246G","","","1.5418","CuKα","","0.0547","0.0376","","","0.085","0.0927","","","","","","1.024","","","","has coordinates,has disorder","257320","2020-10-21","18:00:00",""
"1557768","12.0209","0.0002","12.1613","0.0002","23.8319","0.0004","94.2","0.001","94.003","0.001","91.452","0.001","3464.52","0.1","180","","180","","","","","","","","","7","P -1","-P 1","2","","","","- C36 H76 Bi6 Co9 N36 O38 S36 -","- C36 Bi6 Co9 N36 O38 S36 -","- C36 Bi6 Co9 N36 O38 S36 -","1","0.5","","Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P.","The structures of ordered defects in thiocyanate analogues of Prussian Blue","Chemical Science","2020","11","17","4430","4438","10.1039/D0SC01246G","","x-ray","0.71073","MoKα","","0.0791","0.0587","","","0.1117","0.1201","","","","","","1.129","","","","has coordinates,has disorder","257320","2020-10-21","18:00:00",""
"1557769","11.8567","0.0002","11.8653","0.0002","18.3824","0.0004","84.0731","0.0007","76.714","0.0007","85.1942","0.0008","2498.6","0.08","111","","111","","","","","","","","","7","P -1","-P 1","2","","","","- C30 H74 Bi5 N33 Ni6 O16 S30 -","- C30 H8 Bi5 N33 Ni6 O16 S30 -","- C30 H8 Bi5 N33 Ni6 O16 S30 -","1","0.5","","Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P.","The structures of ordered defects in thiocyanate analogues of Prussian Blue","Chemical Science","2020","11","17","4430","4438","10.1039/D0SC01246G","","x-ray","0.71073","MoKα","","0.0737","0.0433","","","0.0664","0.0742","","","","","","1.036","","","","has coordinates,has disorder","257320","2020-10-21","18:00:00",""
"1557770","8.3698","0.0003","26.0037","0.0009","12.2466","0.0004","90","","91.208","0.002","90","","2664.83","0.16","300","2","300","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","manganese hexathiocyanatobismuthate thiocyanate heptahydrate","","- C7 H14 Bi Mn2 N7 O7 S7 -","- C7 H14 Bi Mn2 N7 O7 S7 -","- C28 H56 Bi4 Mn8 N28 O28 S28 -","4","1","","Cliffe, Matthew J.; Keyzer, Evan N.; Bond, Andrew D.; Astle, Maxwell A.; Grey, Clare P.","The structures of ordered defects in thiocyanate analogues of Prussian Blue","Chemical Science","2020","11","17","4430","4438","10.1039/D0SC01246G","","","1.5418","CuKα","","0.0913","0.0553","","","0.1326","0.1544","","","","","","1.017","","","","has coordinates,has disorder","257320","2020-10-21","18:00:00",""
"1557775","13.1254","0.0007","8.1029","0.0004","12.686","0.0007","90","","109.249","0.006","90","","1273.78","0.13","120","0.1","120","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C64 H52 N12 O4 -","4","1","","Li, Baixue; Qin, Anjun; Tang, Ben Zhong","Metal-free polycycloaddition of aldehyde-activated internal diynes and diazides toward post-functionalizable poly(formyl-1,2,3-triazole)s","Polymer Chemistry","2020","11","17","3075","3083","10.1039/D0PY00193G","","x-ray","1.54184","CuKα","","0.045","0.0437","","","0.1074","0.1083","","","","","","1.077","","","","has coordinates","257937","2020-10-21","18:00:00",""
"1557776","11.065","0.0008","15.5926","0.0012","9.3078","0.0006","90","","108.433","0.002","90","","1523.5","0.19","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N4 -","- C18 H14 N4 -","- C72 H56 N16 -","4","1","","Li, Baixue; Qin, Anjun; Tang, Ben Zhong","Metal-free polycycloaddition of aldehyde-activated internal diynes and diazides toward post-functionalizable poly(formyl-1,2,3-triazole)s","Polymer Chemistry","2020","11","17","3075","3083","10.1039/D0PY00193G","","","0.71073","MoKα","","0.0821","0.0537","","","0.1403","0.1721","","","","","","1.005","","","","has coordinates","257937","2020-10-21","18:00:00",""
"1557777","9.1045","0.0015","9.4078","0.0014","9.9658","0.0017","110.846","0.005","92.668","0.005","107.055","0.005","751.7","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H14 N4 -","- C18 H14 N4 -","- C36 H28 N8 -","2","1","","Li, Baixue; Qin, Anjun; Tang, Ben Zhong","Metal-free polycycloaddition of aldehyde-activated internal diynes and diazides toward post-functionalizable poly(formyl-1,2,3-triazole)s","Polymer Chemistry","2020","11","17","3075","3083","10.1039/D0PY00193G","","","0.71073","MoKα","","0.0944","0.0679","","","0.1817","0.1939","","","","","","1.001","","","","has coordinates","257937","2020-10-21","18:00:00",""
"1557790","14.502","0.0012","12.866","0.0009","20.32","0.0019","90","","106.828","0.005","90","","3629","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H39 B F4 N2 O2 -","- C43 H39 B F4 N2 O2 -","- C172 H156 B4 F16 N8 O8 -","4","1","","Zhou, Chengcheng; Jiang, Meijuan; Du, Jian; Bai, Haotian; Shan, Guogang; Kwok, Ryan T. K.; Chau, Joe H. C.; Zhang, Jun; Lam, Jacky W. Y.; Huang, Peng; Tang, Ben Zhong","One stone, three birds: one AIEgen with three colors for fast differentiation of three pathogens","Chemical Science","2020","11","18","4730","4740","10.1039/D0SC00256A","","","0.71069","MoKα","","0.205","0.0914","","","0.2067","0.242","","","","","","1.156","","","","has coordinates,has disorder","257391","2020-10-21","18:00:00",""
"1557811","8.4764","0.0013","33.008","0.005","40.934","0.006","90","","90","","90","","11453","3","273","2","298.15","","","","","","","","","4","F 2 d d","F -2d 2","43","","","","- C35 H33 N O4 -","- C35 H33 N O4 -","- C560 H528 N16 O64 -","16","1","","Mateos, Javier; Vega-Peñaloza, Alberto; Franceschi, Pietro; Rigodanza, Francesco; Andreetta, Philip; Companyó, Xavier; Pelosi, Giorgio; Bonchio, Marcella; Dell’Amico, Luca","A visible-light Paternò–Büchi dearomatisation process towards the construction of oxeto-indolinic polycycles","Chemical Science","2020","11","25","6532","6538","10.1039/D0SC01569E","","","0.71073","MoKα","","0.0791","0.0427","","","0.0911","0.1049","","","","","","1.013","","","","has coordinates","277994","2022-09-20","08:32:41",""
"1557826","14.3857","0.0007","14.7255","0.0006","19.1301","0.0009","84.837","0.002","88.064","0.002","61.889","0.002","3559.7","0.3","120","2","119.98","","","","","","","","","6","P -1","-P 1","2","","Dy2O@Cs(10528)-C72","","- C120 H56 Dy2 N4 Ni O -","- C120 H56 Dy2 N4 Ni O -","- C240 H112 Dy4 N8 Ni2 O2 -","2","1","","Velkos, Georgios; Yang, Wei; Yao, Yang-Rong; Sudarkova, Svetlana M.; Liu, XinYe; Büchner, Bernd; Avdoshenko, Stanislav M.; Chen, Ning; Popov, Alexey A.","Shape-adaptive single-molecule magnetism and hysteresis up to 14 K in oxide clusterfullerenes Dy2O@C72 and Dy2O@C74 with fused pentagon pairs and flexible Dy‒(μ2-O)‒Dy angle","Chemical Science","2020","11","18","4766","4772","10.1039/D0SC00624F","","","1.54178","CuKα","","0.1011","0.0953","","","0.2726","0.28","","","","","","1.049","","","","has coordinates,has disorder","257392","2020-10-21","18:00:00",""
"1557827","17.914","0.002","16.589","0.002","25.753","0.003","90","","106.775","0.004","90","","7327.5","1.5","173","2","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Dy2O@C2(13333)-C74","","- C117 H50 Dy2 N4 Ni O S2 -","- C117 H50 Dy2 N4 Ni O S2 -","- C468 H200 Dy8 N16 Ni4 O4 S8 -","4","1","","Velkos, Georgios; Yang, Wei; Yao, Yang-Rong; Sudarkova, Svetlana M.; Liu, XinYe; Büchner, Bernd; Avdoshenko, Stanislav M.; Chen, Ning; Popov, Alexey A.","Shape-adaptive single-molecule magnetism and hysteresis up to 14 K in oxide clusterfullerenes Dy2O@C72 and Dy2O@C74 with fused pentagon pairs and flexible Dy‒(μ2-O)‒Dy angle","Chemical Science","2020","11","18","4766","4772","10.1039/D0SC00624F","","","1.54178","CuKα","","0.1495","0.1286","","","0.3121","0.3277","","","","","","1.129","","","","has coordinates","257392","2020-10-21","18:00:00",""
"1557828","10.5727","0.0005","12.998","0.0005","15.4783","0.0008","104.398","0.002","102.401","0.002","109.792","0.002","1831.32","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H88 N14 O12 -","- C82 H88 N14 O12 -","- C82 H88 N14 O12 -","1","0.5","","Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.","Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles","Chemical Science","2020","11","22","5650","5657","10.1039/D0SC01496F","","","0.71073","MoKα","","0.069","0.0474","","","0.0999","0.1102","","","","","","1.065","","","","has coordinates","257293","2020-10-21","18:00:00",""
"1557829","16.711","0.0007","12.6971","0.0005","18.2586","0.0007","90","","99.327","0.004","90","","3822.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C86 H88 N14 O4 -","- C86 H88 N14 O4 -","- C172 H176 N28 O8 -","2","0.5","","Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.","Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles","Chemical Science","2020","11","22","5650","5657","10.1039/D0SC01496F","","","0.71073","MoKα","","0.1226","0.0982","","","0.2234","0.2381","","","","","","1.17","","","","has coordinates,has disorder","257293","2020-10-21","18:00:00",""
"1557830","12.761","0.003","17.133","0.003","31.684","0.005","90","","93.976","0.01","90","","6911","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C78 H92 N14 O6 -","- C78 H92 N14 O6 -","- C312 H368 N56 O24 -","4","0.5","","Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.","Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles","Chemical Science","2020","11","22","5650","5657","10.1039/D0SC01496F","","","0.71073","MoKα","","0.1191","0.0644","","","0.1483","0.1703","","","","","","1.045","","","","has coordinates","257293","2020-10-21","18:00:00",""
"1557831","11.866","0.003","11.883","0.003","6.3933","0.0015","90","","90","","90","","901.5","0.4","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H4 N2 O2 -","- C4 H4 N2 O2 -","- C32 H32 N16 O16 -","8","1","","Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.","Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles","Chemical Science","2020","11","22","5650","5657","10.1039/D0SC01496F","","","0.71073","MoKα","","0.086","0.0448","","","0.0951","0.1108","","","","","","1.041","","","","has coordinates","257293","2020-10-21","18:00:00",""
"1557832","43.6284","0.0011","43.6284","0.0011","10.7942","0.0003","90","","90","","120","","17793.4","0.8","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C82 H92 N10 O8 -","- C82 H92 N10 O8 -","- C738 H828 N90 O72 -","9","0.5","","Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.","Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles","Chemical Science","2020","11","22","5650","5657","10.1039/D0SC01496F","","","0.71073","MoKα","","0.0979","0.0706","","","0.1611","0.1751","","","","","","1.035","","","","has coordinates","257293","2020-10-21","18:00:00",""
"1557833","10.9587","0.0002","59.0761","0.001","22.009","0.0004","90","","101.952","0.002","90","","13939.7","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C53 H52 N6 O7 -","- C53 H52 N6 O7 -","- C636 H624 N72 O84 -","12","3","","Guo, Chenxing; Wang, Hu; Lynch, Vincent M.; Ji, Xiaofan; Page, Zachariah A.; Sessler, Jonathan L.","Molecular recognition of pyrazine N,N′-dioxide using aryl extended calix[4]pyrroles","Chemical Science","2020","11","22","5650","5657","10.1039/D0SC01496F","","","0.97741","synchrotron","","0.0743","0.063","","","0.1718","0.1813","","","","","","1.047","","","","has coordinates","257293","2020-10-21","18:00:00",""
"1557834","19.2992","0.0009","19.3512","0.0013","27.206","0.0012","105.998","0.004","90.079","0.003","119.907","0.003","8348.1","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C208.5 H180 Fe8 N12 -","- C208.5 H179.5 Fe8 N12 -","- C417 H359 Fe16 N24 -","2","1","","Cook, Andrew W.; Bocarsly, Joshua D.; Lewis, Richard A.; Touchton, Alexander J.; Morochnik, Simona; Hayton, Trevor W.","An iron ketimide single-molecule magnet [Fe4(NCPh2)6] with suppressed through-barrier relaxation","Chemical Science","2020","11","18","4753","4757","10.1039/D0SC01578D","","","0.71073","MoKα","","0.2039","0.1596","","","0.3659","0.3992","","","","","","0.77","","","","has coordinates","257393","2020-10-21","18:00:00",""
"1557836","10.145","0.002","17.053","0.004","17.044","0.003","90","","102.029","0.008","90","","2883.9","1","100","","100","","","","","","","","see text","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H43 Al I2 N2 -","- C26 H43 Al I2 N2 -","- C104 H172 Al4 I8 N8 -","4","1","","Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi","Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis","Chemical Science","2020","11","18","4817","4827","10.1039/D0SC01561J","","x-ray","0.71073","MoKα","","0.0174","0.0151","","","0.0367","0.0385","","","","","","1.097","","","","has coordinates","257388","2020-10-21","18:00:00",""
"1557837","36.035","0.002","15.3951","0.0008","21.8876","0.0012","90","","104.19","0.003","90","","11771.9","1.1","103","","103","","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H100 Al2 N4 O1.79 -","- C58 H100 Al2 N4 O1.801 -","- C464 H800 Al16 N32 O14.408 -","8","1","","Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi","Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis","Chemical Science","2020","11","18","4817","4827","10.1039/D0SC01561J","","x-ray","0.71073","MoKα","","0.0845","0.0582","","","0.144","0.1602","","","","","","1.04","","","","has coordinates,has disorder","257388","2020-10-21","18:00:00",""
"1557838","13.5339","0.0006","13.5131","0.0006","18.1559","0.0006","90","","100.481","0.002","90","","3265","0.2","100","","100","","","","","","","","see text","4","P 1 2/c 1","-P 2yc","13","","","","- C72 H102 Al2 N4 -","- C72 H102 Al2 N4 -","- C144 H204 Al4 N8 -","2","0.5","","Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi","Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis","Chemical Science","2020","11","18","4817","4827","10.1039/D0SC01561J","","x-ray","0.71073","MoKα","","0.046","0.0406","","","0.0962","0.0997","","","","","","1.043","","","","has coordinates,has disorder","257388","2020-10-21","18:00:00",""
"1557839","21.6994","0.0018","15.8898","0.0018","20.777","0.002","90","","90.177","0.008","90","","7163.9","1.2","100","","100","","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","","","","- C70 H104 Al2 N6 -","- C70 H104 Al2 N6 -","- C280 H416 Al8 N24 -","4","0.5","","Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi","Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis","Chemical Science","2020","11","18","4817","4827","10.1039/D0SC01561J","","x-ray","0.71073","MoKα","","0.0884","0.0747","","","0.1843","0.1924","","","","","","1.129","","","","has coordinates,has disorder","257388","2020-10-21","18:00:00",""
"1557840","12.4062","0.001","18.1378","0.0016","24.62","0.002","90","","101.846","0.003","90","","5422","0.8","100","","100","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H90 Al2 N4 -","- C54 H90 Al2 N4 -","- C216 H360 Al8 N16 -","4","1","","Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi","Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis","Chemical Science","2020","11","18","4817","4827","10.1039/D0SC01561J","","x-ray","0.71073","MoKα","","0.0949","0.0645","","","0.1672","0.1923","","","","","","1.019","","","","has coordinates","257388","2020-10-21","18:00:00",""
"1557841","35.126","0.003","15.4352","0.0011","21.8147","0.0017","90","","109.512","0.004","90","","11148.2","1.5","100","","100","","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","","","","- C55 H93 Al2 N4 -","- C55 H93 Al2 N4 -","- C440 H744 Al16 N32 -","8","1","","Weetman, Catherine; Porzelt, Amelie; Bag, Prasenjit; Hanusch, Franziska; Inoue, Shigeyoshi","Dialumenes ‒ aryl vs. silyl stabilisation for small molecule activation and catalysis","Chemical Science","2020","11","18","4817","4827","10.1039/D0SC01561J","","x-ray","0.71073","MoKα","","0.0536","0.0471","","","0.1268","0.1328","","","","","","1.028","","","","has coordinates,has disorder","257388","2020-10-21","18:00:00",""
"1557864","18.3672","0.0015","14.0583","0.0012","17.9736","0.0014","90","","118.814","0.001","90","","4066.4","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H59 In N2 O S -","- C44 H59 In N2 O S -","- C176 H236 In4 N8 O4 S4 -","4","1","","Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa","Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands","Chemical Science","2020","11","25","6485","6491","10.1039/D0SC01291B","","x-ray","0.71073","MoKα","","0.0773","0.055","","","0.134","0.1437","","","","","","1.067","","","","has coordinates","257337","2020-10-21","18:00:00",""
"1557865","17.5732","0.0015","13.8493","0.0011","18.4226","0.0015","90","","117.891","0.002","90","","3962.8","0.6","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H59 In N2 O2 -","- C44 H59 In N2 O2 -","- C176 H236 In4 N8 O8 -","4","1","","Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa","Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands","Chemical Science","2020","11","25","6485","6491","10.1039/D0SC01291B","","x-ray","0.71073","MoKα","","0.0523","0.0369","","","0.0801","0.0887","","","","","","1.054","","","","has coordinates,has disorder","257337","2020-10-21","18:00:00",""
"1557866","18.402","0.0006","13.9008","0.0005","18.4542","0.0007","90","","119.051","0.002","90","","4126.7","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H61 In N2 O -","- C46 H61 In N2 O -","- C184 H244 In4 N8 O4 -","4","1","","Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa","Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands","Chemical Science","2020","11","25","6485","6491","10.1039/D0SC01291B","","x-ray","0.71073","MoKα","","0.0354","0.0273","","","0.0603","0.0637","","","","","","1.032","","","","has coordinates","257337","2020-10-21","18:00:00",""
"1557867","18.3804","0.0016","13.9887","0.0012","18.328","0.002","90","","119.839","0.002","90","","4087.7","0.7","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H60 In N3 O -","- C45 H60 In N3 O -","- C180 H240 In4 N12 O4 -","4","1","","Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa","Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands","Chemical Science","2020","11","25","6485","6491","10.1039/D0SC01291B","","x-ray","0.71073","MoKα","","0.0462","0.037","","","0.0755","0.0792","","","","","","1.077","","","","has coordinates","257337","2020-10-21","18:00:00",""
"1557868","12.616","0.003","13.343","0.003","26.255","0.005","80.163","0.003","76.369","0.003","85.869","0.003","4229.7","1.6","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C88 H92 B F24 In N2 O6 -","- C88 H92 B F24 In N2 O6 -","- C176 H184 B2 F48 In2 N4 O12 -","2","1","","Goonesinghe, Chatura; Roshandel, Hootan; Diaz, Carlos; Jung, Hyuk-Joon; Nyamayaro, Kudzanai; Ezhova, Maria; Mehrkhodavandi, Parisa","Cationic indium catalysts for ring opening polymerization: tuning reactivity with hemilabile ligands","Chemical Science","2020","11","25","6485","6491","10.1039/D0SC01291B","","x-ray","0.71073","MoKα","","0.0983","0.0794","","","0.2047","0.214","","","","","","1.036","","","","has coordinates,has disorder","257337","2020-10-21","18:00:00",""
"1557869","21.874","0.005","15.366","0.003","8.915","0.003","90","","90","","90","","2996.5","1.4","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H17 Br O4 -","- C14 H17 Br O4 -","- C112 H136 Br8 O32 -","8","1","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71073","MoKα","","0.0325","0.0272","","","0.0697","0.0727","","","","","","1.065","","","","has coordinates","257326","2020-10-21","18:00:00",""
"1557870","11.6398","0.0008","18.4868","0.0013","16.2027","0.0011","90","","109.07","0.003","90","","3295.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Cl8 N O4 Sb -","- C26 H25 Cl8 N O4 Sb -","- C104 H100 Cl32 N4 O16 Sb4 -","4","1","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71073","MoKα","","0.0338","0.0312","","","0.0781","0.08","","","","","","1.061","","","","has coordinates","257326","2020-10-21","18:00:00",""
"1557871","18.383","0.0016","13.3271","0.0012","20.1022","0.0018","90","","90","","90","","4924.9","0.8","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H25 Cl2 N O4 -","- C26 H25 Cl2 N O4 -","- C208 H200 Cl16 N8 O32 -","8","1","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71073","MoKα","","0.0437","0.0384","","","0.1025","0.1076","","","","","","1.033","","","","has coordinates","257326","2020-10-21","18:00:00",""
"1557872","10.089","0.0004","11.8293","0.0005","13.7884","0.0006","97.567","0.001","107.754","0.001","95.274","0.001","1538.29","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H33 F6 N O4 -","- C32 H33 F6 N O4 -","- C64 H66 F12 N2 O8 -","2","1","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71073","MoKα","","0.046","0.0406","","","0.1065","0.1114","","","","","","1.039","","","","has coordinates,has disorder","257326","2020-10-21","18:00:00",""
"1557873","10.3036","0.0006","18.9257","0.0011","13.0352","0.0007","90","","94.843","0.002","90","","2532.8","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N O6 -","- C28 H31 N O6 -","- C112 H124 N4 O24 -","4","1","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71075","MoKα","","0.0769","0.051","","","0.1285","0.1593","","","","","","0.597","","","","has coordinates","257326","2020-10-21","18:00:00",""
"1557874","11.7241","0.0003","12.3047","0.0003","18.3432","0.0005","90","","100.077","0.001","90","","2605.4","0.12","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 F6 N O4 -","- C28 H25 F6 N O4 -","- C112 H100 F24 N4 O16 -","4","1","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71073","MoKα","","0.0429","0.0385","","","0.099","0.1032","","","","","","1.031","","","","has coordinates,has disorder","257326","2020-10-21","18:00:00",""
"1557875","11.84","0.002","14.543","0.003","18.231","0.003","97.047","0.003","105.059","0.003","102.364","0.003","2907.7","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H33 Cl2 N O4 -","- C30 H32.329 Cl2 N O4 -","- C120 H129.316 Cl8 N4 O16 -","4","2","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71073","MoKα","","0.1323","0.061","","","0.1674","0.2302","","","","","","0.782","","","","has coordinates,has disorder","257326","2020-10-21","18:00:00",""
"1557876","12.156","0.003","15.548","0.003","19.482","0.004","90","","90.77","0.004","90","","3681.8","1.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 Cl8 N O4 Sb -","- C30 H33 Cl8 N O4 Sb -","- C120 H132 Cl32 N4 O16 Sb4 -","4","1","","Yan, Chenting; Takeshita, Masato; Nakatsuji, Jun-ya; Kurosaki, Akihiro; Sato, Kaoko; Shang, Rong; Nakamoto, Masaaki; Yamamoto, Yohsuke; Adachi, Yohei; Furukawa, Ko; Kishi, Ryohei; Nakano, Masayoshi","Synthesis and properties of hypervalent electron-rich pentacoordinate nitrogen compounds","Chemical Science","2020","11","19","5082","5088","10.1039/D0SC00002G","","","0.71073","MoKα","","0.1333","0.0573","","","0.0894","0.1058","","","","","","0.9","","","","has coordinates,has disorder","257326","2020-10-21","18:00:00",""
"1557898","13.0883","0.0002","14.8329","0.0003","19.5325","0.0003","90","","90","","90","","3791.99","0.11","293","2","293","2","","","","","","","synthesized","7","P b c a","-P 2ac 2ab","61","","","","- C12 H28 B Co F4 N5 O2 -","- C12 H28 B Co F4 N5 O2 -","- C96 H224 B8 Co8 F32 N40 O16 -","8","1","","Das, Sandip; Kulbir,; Ghosh, Somnath; Chandra Sahoo, Subash; Kumar, Pankaj","Nitric oxide monooxygenation (NOM) reaction of cobalt-nitrosyl {Co(NO)}8 to CoII-nitrito {CoII(NO2−)}: base induced hydrogen gas (H2) evolution","Chemical Science","2020","11","19","5037","5042","10.1039/D0SC01572E","","x-ray","0.71073","MoKα","","0.0792","0.0623","","","0.1908","0.2051","","","","","","1.129","","","","has coordinates,has disorder","257329","2020-10-21","18:00:00",""
"1557899","10.5566","0.0006","14.6779","0.0013","14.7391","0.0008","109.074","0.004","108.271","0.003","97.907","0.004","1974.9","0.3","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C76 H76 Cl2 F14 N4 Ni2 O2 P2 Sb2 -","- C76 H76 Cl2 F14 N4 Ni2 O2 P2 Sb2 -","- C76 H76 Cl2 F14 N4 Ni2 O2 P2 Sb2 -","1","0.5","","Yang, Jian; Postils, Verònica; Lipschutz, Michael I.; Fasulo, Meg; Raynaud, Christophe; Clot, Eric; Eisenstein, Odile; Tilley, T. Don","Efficient alkene hydrosilation with bis(8-quinolyl)phosphine (NPN) nickel catalysts. The dominant role of silyl-over hydrido-nickel catalytic intermediates","Chemical Science","2020","11","19","5043","5051","10.1039/D0SC00997K","","","0.71073","MoKα","","0.111","0.0638","","","0.1723","0.2002","","","","","","1.056","","","","has coordinates","257330","2020-10-21","18:00:00",""
"1557900","14.0809","0.0007","10.9917","0.0004","17.1659","0.0008","90","","108.846","0.005","90","","2514.4","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 F3 N3 O -","- C30 H26 F3 N3 O -","- C120 H104 F12 N12 O4 -","4","1","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","","0.71073","MoKα","","0.0774","0.0615","","","0.1401","0.1466","","","","","","1.106","","","","has coordinates,has disorder","257279","2020-10-21","18:00:00",""
"1557901","37.632","0.001","14.8891","0.0004","13.0219","0.0004","90","","90","","90","","7296.3","0.4","123","2","123","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C42 H34 F9 N O -","- C42 H34 F9 N O -","- C336 H272 F72 N8 O8 -","8","1","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","x-ray","0.71073","MoKα","","0.1062","0.0697","","","0.1559","0.1699","","","","","","1.071","","","","has coordinates,has disorder","257279","2020-10-21","18:00:00",""
"1557902","13.5226","0.0005","14.169","0.0005","17.1029","0.0005","103.45","0.003","107.34","0.003","103.234","0.003","2881","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H42 N2 O2 -","- C34 H42 N2 O2 -","- C136 H168 N8 O8 -","4","2","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C–H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","","0.71073","MoKα","","0.1427","0.0768","","","0.1775","0.2124","","","","","","1.061","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1557903","9.7571","0.0001","10.1037","0.0001","19.23","0.0003","86.6","0.001","88.612","0.001","81.412","0.001","1870.97","0.04","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H35 F9 N2 O -","- C43 H35 F9 N2 O -","- C86 H70 F18 N4 O2 -","2","1","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","x-ray","0.71073","MoKα","","0.061","0.0465","","","0.1209","0.1286","","","","","","1.059","","","","has coordinates,has disorder","257279","2020-10-21","18:00:00",""
"1557904","12.9747","0.0002","12.3749","0.0002","17.7595","0.0003","90","","101.948","0.0017","90","","2789.71","0.08","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H42 N2 O4 -","- C31 H42 N2 O4 -","- C124 H168 N8 O16 -","4","1","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","","0.71073","MoKα","","0.0374","0.0343","","","0.0866","0.0887","","","","","","1.035","","","","has coordinates","257279","2020-10-21","18:00:00",""
"1557905","10.4974","0.0004","24.3","0.0006","11.3737","0.0004","90","","109.196","0.004","90","","2739.97","0.17","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 N2 O2 -","- C32 H40 N2 O2 -","- C128 H160 N8 O8 -","4","1","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","","0.71073","MoKα","","0.0432","0.0347","","","0.0817","0.0866","","","","","","1.026","","","","has coordinates","257279","2020-10-21","18:00:00",""
"1557906","8.974","0.0002","11.737","0.0003","14.0121","0.0003","113.955","0.002","97.7538","0.0017","91.349","0.002","1331.4","0.06","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H39 N3 O2 -","- C31 H39 N3 O2 -","- C62 H78 N6 O4 -","2","1","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","","0.71073","MoKα","","0.0402","0.0365","","","0.0927","0.0949","","","","","","1.028","","","","has coordinates","257279","2020-10-21","18:00:00",""
"1557907","16.4161","0.0009","12.4001","0.0008","25.3104","0.0017","90","","90","","90","","5152.2","0.6","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C29 H37 N3 O2 -","- C29 H37 N3 O2 -","- C232 H296 N24 O16 -","8","1","","Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro","Programmable synthesis of multiply arylated cubanes through C‒H metalation and arylation","Chemical Science","2020","11","29","7672","7675","10.1039/D0SC01909G","","","0.71073","MoKα","","0.094","0.0484","","","0.0932","0.1093","","","","","","1.017","","","","has coordinates","257279","2020-10-21","18:00:00",""
"1557908","19.0673","0.0003","26.1197","0.0006","15.5005","0.0003","90","","90","","90","","7719.7","0.3","100","2","100","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","CdTzTz","","- C38 H32 Cd N6 O6 S3 -","- C38 H32 Cd N6 O6 S3 -","- C304 H256 Cd8 N48 O48 S24 -","8","1","","Doheny, Patrick W.; Clegg, Jack K.; Tuna, Floriana; Collison, David; Kepert, Cameron J.; D'Alessandro, Deanna M.","Quantification of the mixed-valence and intervalence charge transfer properties of a cofacial metal‒organic framework via single crystal electronic absorption spectroscopy","Chemical Science","2020","11","20","5213","5220","10.1039/D0SC01521K","","","0.71073","MoKα","","0.0852","0.0804","","","0.2123","0.2173","","","","","","1.079","","","","has coordinates,has disorder","257345","2020-10-21","18:00:00",""
"1557909","5.665","0.0011","7.55","0.0015","22.845","0.005","80.52","0.03","86.53","0.03","88.94","0.03","962","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","BPPTzTz","","- C26 H16 N4 S2 -","- C26 H16 N4 S2 -","- C52 H32 N8 S4 -","2","1","","Doheny, Patrick W.; Clegg, Jack K.; Tuna, Floriana; Collison, David; Kepert, Cameron J.; D'Alessandro, Deanna M.","Quantification of the mixed-valence and intervalence charge transfer properties of a cofacial metal‒organic framework via single crystal electronic absorption spectroscopy","Chemical Science","2020","11","20","5213","5220","10.1039/D0SC01521K","","","0.71073","Synchrotron","","0.0707","0.06","","","0.1545","0.164","","","","","","1.013","","","","has coordinates","257345","2020-10-21","18:00:00",""
"1557910","10.3567","0.0008","12.1184","0.0009","22.4299","0.0015","91.283","0.006","95.977","0.007","110.754","0.008","2612.8","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H66 Br4 O10 -","- C53 H66 Br4 O10 -","- C106 H132 Br8 O20 -","2","1","","Al-Azemi, Talal F.; Vinodh, Mickey","Pillar[5]arene-based self-assembled linear supramolecular polymer driven by guest halogen‒halogen interactions in solid and solution states","Polymer Chemistry","2020","11","19","3305","3312","10.1039/D0PY00327A","","","0.71075","MoKα","","0.1513","0.0653","","","0.1549","0.179","","","","","","0.905","","","","has coordinates","257941","2020-10-21","18:00:00",""
"1557911","13.7399","0.0012","13.7733","0.0013","17.2885","0.0016","81.371","0.004","73.997","0.003","86.306","0.004","3108.4","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H74 N10 Ni2 O7 -","- C62 H74 N10 Ni2 O7 -","- C124 H148 N20 Ni4 O14 -","2","1","","Su, Yu-Chia; Tsui, Chih-Hsiang; Tsai, Chen-Yen; Ko, Bao-Tsan","Highly active bimetallic nickel catalysts for alternating copolymerization of carbon dioxide with epoxides","Polymer Chemistry","2020","11","18","3225","3236","10.1039/D0PY00174K","","","0.71073","MoKα","","0.0822","0.0516","","","0.1344","0.153","","","","","","1.022","","","","has coordinates","257950","2020-10-21","18:00:00",""
"1557912","27.59","0.002","11.4039","0.0009","17.0846","0.0014","90","","101.68","0.004","90","","5264.1","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H72 N8 Ni2 O8 -","- C51 H72 N8 Ni2 O8 -","- C204 H288 N32 Ni8 O32 -","4","1","","Su, Yu-Chia; Tsui, Chih-Hsiang; Tsai, Chen-Yen; Ko, Bao-Tsan","Highly active bimetallic nickel catalysts for alternating copolymerization of carbon dioxide with epoxides","Polymer Chemistry","2020","11","18","3225","3236","10.1039/D0PY00174K","","","0.71073","MoKα","","0.0892","0.0655","","","0.1688","0.1855","","","","","","1.023","","","","has coordinates,has disorder","257950","2020-10-21","18:00:00",""
"1557913","13.8204","0.0007","14.046","0.0008","17.8074","0.001","98.3638","0.0019","99.7094","0.0018","99.0951","0.0019","3311.4","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H80 Cl2 N10 Ni2 O6 -","- C65 H80 Cl2 N10 Ni2 O6 -","- C130 H160 Cl4 N20 Ni4 O12 -","2","1","","Su, Yu-Chia; Tsui, Chih-Hsiang; Tsai, Chen-Yen; Ko, Bao-Tsan","Highly active bimetallic nickel catalysts for alternating copolymerization of carbon dioxide with epoxides","Polymer Chemistry","2020","11","18","3225","3236","10.1039/D0PY00174K","","","0.71076","MoKα","","0.0886","0.0572","","","0.1455","0.1661","","","","","","1.027","","","","has coordinates","257950","2020-10-21","18:00:00",""
"1557914","16.442","0.003","28.884","0.005","11.4674","0.0018","90","","108.553","0.006","90","","5163","1.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H76 N8 Ni2 O8 -","- C52 H74 N8 Ni2 O8 -","- C208 H296 N32 Ni8 O32 -","4","1","","Su, Yu-Chia; Tsui, Chih-Hsiang; Tsai, Chen-Yen; Ko, Bao-Tsan","Highly active bimetallic nickel catalysts for alternating copolymerization of carbon dioxide with epoxides","Polymer Chemistry","2020","11","18","3225","3236","10.1039/D0PY00174K","","","0.71076","MoKα","","0.1214","0.0755","","","0.1397","0.1557","","","","","","1.032","","","","has coordinates,has disorder","257950","2020-10-21","18:00:00",""
"1557915","13.3819","0.0004","22.5315","0.0007","19.0121","0.0008","90","","95.058","0.003","90","","5710.1","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H84 N8 Ni2 O10 -","- C55 H84 N8 Ni2 O10 -","- C220 H336 N32 Ni8 O40 -","4","1","","Su, Yu-Chia; Tsui, Chih-Hsiang; Tsai, Chen-Yen; Ko, Bao-Tsan","Highly active bimetallic nickel catalysts for alternating copolymerization of carbon dioxide with epoxides","Polymer Chemistry","2020","11","18","3225","3236","10.1039/D0PY00174K","","","0.71073","MoKα","","0.1296","0.0642","","","0.1224","0.1483","","","","","","1.023","","","","has coordinates","257950","2020-10-21","18:00:00",""
"1557923","9.9378","0.0009","9.9882","0.0008","17.7699","0.0015","93.791","0.003","94.905","0.003","98.931","0.003","1730.4","0.3","150","","150","","","","","","","","synthesis as described","2","P -1","-P 1","2","","","","- C44 H30 -","- C44 H30 -","- C88 H60 -","2","1","","Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc","Expedient synthesis of conjugated triynes via alkyne metathesis","Chemical Science","2020","11","19","4934","4938","10.1039/D0SC01124J","","x-ray","0.71073","MoKα","","0.0571","0.0457","","","0.117","0.1244","","","","","","1.051","","","","has coordinates","257331","2020-10-21","18:00:00",""
"1557924","10.4193","0.0006","21.2154","0.0012","17.2115","0.0008","90","","99.801","0.002","90","","3749.1","0.3","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H31 Cl3 Si2 -","- C43 H31 Cl3 Si2 -","- C172 H124 Cl12 Si8 -","4","1","","Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc","Expedient synthesis of conjugated triynes via alkyne metathesis","Chemical Science","2020","11","19","4934","4938","10.1039/D0SC01124J","","x-ray","0.71073","MoKα","","0.0765","0.0491","","","0.1189","0.1333","","","","","","1.03","","","","has coordinates","257331","2020-10-21","18:00:00",""
"1557925","8.5423","0.0011","10.4335","0.0014","16.821","0.002","76.313","0.005","77.803","0.005","83.761","0.005","1421","0.3","150","","150","","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C34 H36 Si -","- C34 H36 Si -","- C68 H72 Si2 -","2","1","","Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc","Expedient synthesis of conjugated triynes via alkyne metathesis","Chemical Science","2020","11","19","4934","4938","10.1039/D0SC01124J","","x-ray","0.71073","MoKα","","0.0648","0.0477","","","0.1191","0.1301","","","","","","1.029","","","","has coordinates","257331","2020-10-21","18:00:00",""
"1557926","8.5611","0.0008","10.3957","0.001","14.5334","0.0013","94.453","0.003","104.612","0.003","98.456","0.003","1229.1","0.2","150","","150","","","","","","","","synthesis as described","2","P -1","-P 1","2","","","","- C34 H26 -","- C34 H26 -","- C68 H52 -","2","1","","Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc","Expedient synthesis of conjugated triynes via alkyne metathesis","Chemical Science","2020","11","19","4934","4938","10.1039/D0SC01124J","","x-ray","0.71073","MoKα","","0.0628","0.0479","","","0.1201","0.1302","","","","","","1.034","","","","has coordinates","257331","2020-10-21","18:00:00",""
"1557927","7.5855","0.0009","8.3989","0.0011","17.377","0.002","90.902","0.005","91.564","0.005","91.339","0.004","1106.2","0.2","150","2","150","2","","","","","","","synthesis as described","2","P -1","-P 1","2","","","","- C14 H14 -","- C14 H14 -","- C56 H56 -","4","2","","Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc","Expedient synthesis of conjugated triynes via alkyne metathesis","Chemical Science","2020","11","19","4934","4938","10.1039/D0SC01124J","","x-ray","0.71073","MoKα","","0.0605","0.0506","","","0.1353","0.142","","","","","","1.049","","","","has coordinates","257331","2020-10-21","18:00:00",""
"1557928","9.3055","0.0016","10.3538","0.0015","18.151","0.003","90","","90","","90","","1748.8","0.5","150","","150","","","","","","","","synthesis as described","2","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","1","","Curbet, Idriss; Colombel-Rouen, Sophie; Manguin, Romane; Clermont, Anthony; Quelhas, Alexandre; Müller, Daniel S.; Roisnel, Thierry; Baslé, Olivier; Trolez, Yann; Mauduit, Marc","Expedient synthesis of conjugated triynes via alkyne metathesis","Chemical Science","2020","11","19","4934","4938","10.1039/D0SC01124J","","x-ray","0.71073","MoKα","","0.0433","0.0359","","","0.087","0.0924","","","","","","1.029","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1557943","12.8993","0.0005","15.9751","0.0007","17.3394","0.0007","90","","97.371","0.003","90","","3543.6","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H14 F24 O10 Th -","- C24 H14 F24 O10 Th -","- C96 H56 F96 O40 Th4 -","4","0.5","","Moreau, Liane M.; Herve, Alexandre; Straub, Mark D.; Russo, Dominic R.; Abergel, Rebecca J.; Alayoglu, Selim; Arnold, John; Braun, Augustin; Deblonde, Gauthier J. P.; Liu, Yangdongling; Lohrey, Trevor D.; Olive, Daniel T.; Qiao, Yusen; Rees, Julian A.; Shuh, David K.; Teat, Simon J.; Booth, Corwin H.; Minasian, Stefan G.","Structural properties of ultra-small thorium and uranium dioxide nanoparticles embedded in a covalent organic framework","Chemical Science","2020","11","18","4648","4668","10.1039/C9SC06117G","","","0.7749","synchrotron","","0.0394","0.0296","","","0.0536","0.0569","","","","","","1.073","","","","has coordinates,has disorder","257390","2020-10-21","18:00:00",""
"1557944","17.4457","0.0004","17.4457","0.0004","29.8629","0.0009","90","","90","","90","","9088.8","0.4","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C20 H4 F24 O8 U -","- C20 H4 F24 O8 U -","- C240 H48 F288 O96 U12 -","12","0.75","","Moreau, Liane M.; Herve, Alexandre; Straub, Mark D.; Russo, Dominic R.; Abergel, Rebecca J.; Alayoglu, Selim; Arnold, John; Braun, Augustin; Deblonde, Gauthier J. P.; Liu, Yangdongling; Lohrey, Trevor D.; Olive, Daniel T.; Qiao, Yusen; Rees, Julian A.; Shuh, David K.; Teat, Simon J.; Booth, Corwin H.; Minasian, Stefan G.","Structural properties of ultra-small thorium and uranium dioxide nanoparticles embedded in a covalent organic framework","Chemical Science","2020","11","18","4648","4668","10.1039/C9SC06117G","","","0.7749","synchrotron","","0.0911","0.0543","","","0.1361","0.1667","","","","","","1.016","","","","has coordinates","257390","2020-10-21","18:00:00",""
"1557955","23.4927","0.0005","23.4927","0.0005","32.5166","0.0007","90","","90","","120","","15541.8","0.6","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C87 H77.33 F6 N12 O23.67 Ru3 -","- C87 H77.3322 F6 N12 O23.6661 Ru3 -","- C522 H463.993 F36 N72 O141.997 Ru18 -","6","0.333333","","Meza-Chincha, Ana-Lucia; Lindner, Joachim O.; Schindler, Dorothee; Schmidt, David; Krause, Ana-Maria; Röhr, Merle I. S.; Mitrić, Roland; Würthner, Frank","Impact of substituents on molecular properties and catalytic activities of trinuclear Ru macrocycles in water oxidation","Chemical Science","2020","11","29","7654","7664","10.1039/D0SC01097A","","","1.54178","CuKα","","0.0395","0.0385","","","0.1171","0.1181","","","","","","1.157","","","","has coordinates,has disorder","257278","2020-10-21","18:00:00",""
"1557956","15.9552","0.0003","18.9386","0.0004","21.0317","0.0004","65.145","0.001","87.292","0.001","76.631","0.001","5601.2","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H48 F6 N12 O12 Ru3 -","- C84 H48 F6 N12 O12 Ru3 -","- C168 H96 F12 N24 O24 Ru6 -","2","1","","Meza-Chincha, Ana-Lucia; Lindner, Joachim O.; Schindler, Dorothee; Schmidt, David; Krause, Ana-Maria; Röhr, Merle I. S.; Mitrić, Roland; Würthner, Frank","Impact of substituents on molecular properties and catalytic activities of trinuclear Ru macrocycles in water oxidation","Chemical Science","2020","11","29","7654","7664","10.1039/D0SC01097A","","","1.54178","CuKα","","0.0526","0.0407","","","0.0938","0.0997","","","","","","1.026","","","","has coordinates","257278","2020-10-21","18:00:00",""
"1557967","9.0773","0.0003","20.9604","0.0006","9.2929","0.0004","90","","112.088","0.004","90","","1638.34","0.11","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H52 Li2 N2 O4 -","- C32 H52 Li2 N2 O4 -","- C64 H104 Li4 N4 O8 -","2","0.5","","Fairley, Michael; Bole, Leonie J.; Mulks, Florian F.; Main, Laura; Kennedy, Alan R.; O'Hara, Charles T; García-Alvarez, Joaquín; Hevia, Eva","Ultrafast amidation of esters using lithium amides under aerobic ambient temperature conditions in sustainable solvents.","Chemical science","2020","11","25","6500","6509","10.1039/d0sc01349h","","","1.54184","CuKα","","0.117","0.1047","","","0.3328","0.3569","","","","","","1.539","","","","has coordinates,has disorder","256042","2020-10-21","18:00:00",""
"1557968","9.7406","0.0004","10.9189","0.0004","14.1465","0.0007","90","","107.012","0.005","90","","1438.74","0.11","123.35","0.1","123.35","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H36 Li2 N6 O2 -","- C30 H36 Li2 N6 O2 -","- C60 H72 Li4 N12 O4 -","2","0.5","","Fairley, Michael; Bole, Leonie J.; Mulks, Florian F.; Main, Laura; Kennedy, Alan R.; O'Hara, Charles T; García-Alvarez, Joaquín; Hevia, Eva","Ultrafast amidation of esters using lithium amides under aerobic ambient temperature conditions in sustainable solvents.","Chemical science","2020","11","25","6500","6509","10.1039/d0sc01349h","","x-ray","1.54184","CuKα","","0.072","0.0591","","","0.1634","0.183","","","","","","1.058","","","","has coordinates,has disorder","256042","2020-10-21","18:00:00",""
"1557969","10.2268","0.0004","19.0435","0.0007","10.7658","0.0005","90","","102.453","0.004","90","","2047.36","0.15","123.35","0.1","123.35","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H60 Li2 N2 O4 -","- C44 H59.145 Li2 N2 O4 -","- C88 H118.29 Li4 N4 O8 -","2","1","","Fairley, Michael; Bole, Leonie J.; Mulks, Florian F.; Main, Laura; Kennedy, Alan R.; O'Hara, Charles T; García-Alvarez, Joaquín; Hevia, Eva","Ultrafast amidation of esters using lithium amides under aerobic ambient temperature conditions in sustainable solvents.","Chemical science","2020","11","25","6500","6509","10.1039/d0sc01349h","","x-ray","1.54184","CuKα","","0.108","0.0987","","","0.2735","0.2948","","","","","","1.225","","","","has coordinates,has disorder","256042","2020-10-21","18:00:00",""
"1557970","9.5878","0.0002","9.9347","0.0002","9.9435","0.0002","105.659","0.002","94.885","0.001","95.34","0.002","902","0.03","173.01","0.1","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H42 Li2 N4 O2 -","- C42 H42 Li2 N4 O2 -","- C42 H42 Li2 N4 O2 -","1","0.5","","Fairley, Michael; Bole, Leonie J.; Mulks, Florian F.; Main, Laura; Kennedy, Alan R.; O'Hara, Charles T; García-Alvarez, Joaquín; Hevia, Eva","Ultrafast amidation of esters using lithium amides under aerobic ambient temperature conditions in sustainable solvents.","Chemical science","2020","11","25","6500","6509","10.1039/d0sc01349h","","","1.54184","CuKα","","0.0462","0.0393","","","0.1038","0.112","","","","","","1.065","","","","has coordinates","256042","2020-10-21","18:00:00",""
"1557971","6.8004","0.0009","11.9948","0.0015","21.5","0.003","90","","95.373","0.004","90","","1746","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 F6 N2 P -","- C17 H17 F6 N2 P -","- C68 H68 F24 N8 P4 -","4","1","","Zhang, Ruoyao; Niu, Guangle; Lu, Qing; Huang, Xiaolin; Chau, Joe H. C.; Kwok, Ryan T. K.; Yu, Xiaoqiang; Li, Min-Hui; Lam, Jacky W. Y.; Tang, Ben Zhong","Cancer cell discrimination and dynamic viability monitoring through wash-free bioimaging using AIEgens","Chemical Science","2020","11","29","7676","7684","10.1039/D0SC01213K","","","1.54178","CuKα","","0.0876","0.0851","","","0.2292","0.2315","","","","","","1.048","","","","has coordinates","257280","2020-10-21","18:00:00",""
"1557972","9.8666","0.0013","9.9949","0.0009","11.3565","0.0017","90","","114.722","0.018","90","","1017.3","0.3","298","0.2","298","0.2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H19 N O S -","- C26 H19 N O S -","- C52 H38 N2 O2 S2 -","2","1","","Singh, Bara; Bankar, Siddheshwar K.; Kumar, Ketan; Ramasastry, S. S. V.","Palladium-catalysed 5-endo-trig allylic (hetero)arylation","Chemical Science","2020","11","19","4948","4953","10.1039/D0SC01932A","","x-ray","0.71073","MoKα","","0.1435","0.0593","","","0.106","0.147","","","","","","1.026","","","","has coordinates","257328","2020-10-21","18:00:00",""
"1557973","10.0379","0.0013","9.5393","0.0009","16.2242","0.0019","90","","104.646","0.012","90","","1503.1","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 S -","- C18 H20 S -","- C72 H80 S4 -","4","1","","Singh, Bara; Bankar, Siddheshwar K.; Kumar, Ketan; Ramasastry, S. S. V.","Palladium-catalysed 5-endo-trig allylic (hetero)arylation","Chemical Science","2020","11","19","4948","4953","10.1039/D0SC01932A","","x-ray","0.71073","MoKα","","0.1534","0.1084","","","0.2911","0.3453","","","","","","1.094","","","","has coordinates","257328","2020-10-21","18:00:00",""
"1557987","24.4749","0.0004","22.6183","0.0004","12.7406","0.0002","90","","90","","90","","7052.9","0.2","95","2","95","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C33 H48 I N4 O P Pt -","- C33 H48 I N4 O P Pt -","- C264 H384 I8 N32 O8 P8 Pt8 -","8","1","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","0.71073","MoKα","","0.0533","0.037","","","0.077","0.0832","","","","","","1.09","","","","has coordinates","257398","2020-10-21","18:00:00",""
"1557988","12.7739","0.0002","8.98822","0.00013","27.115","0.0004","90","","100.703","0.0016","90","","3059.04","0.08","93","2","93","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 Cl2 Cu2 N4 O P Pt -","- C26 H39 Cl2 Cu2 N4 O P Pt -","- C104 H156 Cl8 Cu8 N16 O4 P4 Pt4 -","4","1","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","0.71073","MoKα","","0.0336","0.0249","","","0.0535","0.0558","","","","","","1.042","","","","has coordinates","257398","2020-10-21","18:00:00",""
"1557989","20.4659","0.0002","20.4659","0.0002","27.7779","0.0004","90","","90","","90","","11634.9","0.2","94","2","94","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C50 H70 N8 O2 P2 Pt2 -","- C50 H70 N8 O2 P2 Pt2 -","- C400 H560 N64 O16 P16 Pt16 -","8","0.5","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","0.71073","MoKα","","0.0482","0.0347","","","0.0824","0.0891","","","","","","1.027","","","","has coordinates,has disorder","257398","2020-10-21","18:00:00",""
"1557990","11.34455","0.00016","12.7555","0.0003","15.58801","0.00018","97.0654","0.0013","96.2303","0.001","94.2103","0.0015","2216.7","0.07","95","2","95","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H59 B Cu F4 N4 O4 P Pt -","- C42 H59 B Cu F4 N4 O4 P Pt -","- C84 H118 B2 Cu2 F8 N8 O8 P2 Pt2 -","2","1","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","1.54184","CuKα","","0.0573","0.0558","","","0.1416","0.1442","","","","","","1.044","","","","has coordinates,has disorder","257398","2020-10-21","18:00:00",""
"1557991","9.1729","0.0004","30.0139","0.001","12.3335","0.0003","90","","90.445","0.003","90","","3395.5","0.2","96","2","96","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C30 H47 B Cu F4 N4 O2 P Pt -","- C30 H47 B Cu F4 N4 O2 P Pt -","- C120 H188 B4 Cu4 F16 N16 O8 P4 Pt4 -","4","1","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","1.54184","CuKα","","0.0943","0.0832","","","0.2262","0.2402","","","","","","1.048","","","","has coordinates,has disorder","257398","2020-10-21","18:00:00",""
"1557992","9.1454","0.00011","34.4731","0.0005","28.8368","0.0004","90","","90.3193","0.0011","90","","9091.2","0.2","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28.33 H43.67 Cu N4 O1.33 P Pt -","- C28.3333 H43.6667 Cu N4 O1.33333 P Pt -","- C340 H524 Cu12 N48 O16 P12 Pt12 -","12","3","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","0.71073","MoKα","","0.0564","0.0449","","","0.0862","0.0892","","","","","","1.094","","","","has coordinates,has disorder","257398","2020-10-21","18:00:00",""
"1557993","14.66021","0.00018","16.24537","0.00017","26.9484","0.0004","90","","103.68","0.0013","90","","6235.97","0.14","93","2","93","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C58 H51 B Cu F24 N4 O P Pt -","- C58 H51 B Cu F24 N4 O P Pt -","- C232 H204 B4 Cu4 F96 N16 O4 P4 Pt4 -","4","1","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","0.71073","MoKα","","0.0418","0.0321","","","0.0819","0.0874","","","","","","1.029","","","","has coordinates,has disorder","257398","2020-10-21","18:00:00",""
"1557994","20.7797","0.0002","19.37993","0.00018","17.2379","0.0002","90","","105.44","0.0013","90","","6691.33","0.13","90","2","90","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C65 H51 B Cu F30 N4 O P Pt -","- C65 H51 B Cu F30 N4 O P Pt -","- C260 H204 B4 Cu4 F120 N16 O4 P4 Pt4 -","4","1","","Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.","Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes","Chemical Science","2020","11","21","5494","5502","10.1039/D0SC00646G","","x-ray","0.71073","MoKα","","0.053","0.0379","","","0.0954","0.1074","","","","","","1.041","","","","has coordinates,has disorder","257398","2020-10-21","18:00:00",""
"1557997","7.2298","0.0002","10.3241","0.0003","19.9155","0.0005","90","","91.2503","0.0014","90","","1486.16","0.07","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 -","- C21 H18 -","- C84 H72 -","4","1","","Wang, Bin; Ong, Derek Yiren; Li, Yihang; Pang, Jia Hao; Watanabe, Kohei; Takita, Ryo; Chiba, Shunsuke","Stereo-controlled anti-hydromagnesiation of aryl alkynes by magnesium hydrides","Chemical Science","2020","11","20","5267","5272","10.1039/D0SC01773F","","","0.71073","MoKα","","0.0776","0.0523","","","0.117","0.1328","","","","","","1.031","","","","has coordinates","257342","2020-10-21","18:00:00",""
"1557998","11.9769","0.0003","5.9444","0.0002","26.845","0.0008","90","","92.8945","0.0013","90","","1908.8","0.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N O -","- C24 H25 N O -","- C96 H100 N4 O4 -","4","1","","Wang, Bin; Ong, Derek Yiren; Li, Yihang; Pang, Jia Hao; Watanabe, Kohei; Takita, Ryo; Chiba, Shunsuke","Stereo-controlled anti-hydromagnesiation of aryl alkynes by magnesium hydrides","Chemical Science","2020","11","20","5267","5272","10.1039/D0SC01773F","","","0.71073","MoKα","","0.1447","0.0695","","","0.1231","0.155","","","","","","1.025","","","","has coordinates","257342","2020-10-21","18:00:00",""
"1557999","19.002","0.0001","8.3505","0.0001","18.6504","0.0001","90","","106.546","0.001","90","","2836.83","0.04","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H37 Br N O2 Si -","- C31 H37 Br N O2 Si -","- C124 H148 Br4 N4 O8 Si4 -","4","1","","Eichenberger, Sarah; Hönig, Moritz; Richter, Matthieu J. R.; Gershoni-Poranne, Renana; Carreira, Erick M.","Ring-fused cyclobutanes via cycloisomerization of alkylidenecyclopropane acylsilanes","Chemical Science","2020","11","20","5294","5298","10.1039/D0SC02224A","","x-ray","1.54184","CuKα","","0.0362","0.0347","","","0.0922","0.0933","","","","","","1.044","","","","has coordinates","257341","2020-10-21","18:00:00",""
"1558010","13.3029","0.0016","9.8247","0.001","16.8935","0.0019","90","","110.005","0.004","90","","2074.7","0.4","150","2","150","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C31 H20 -","- C31 H20 -","- C124 H80 -","4","1","","Wang, Qiang; Lucas, Fabien; Quinton, Cassandre; Qu, Yang-Kun; Rault-Berthelot, Joëlle; Jeannin, Olivier; Yang, Sheng-Yi; Kong, Fan-Cheng; Kumar, Sarvendra; Liao, Liang-Sheng; Poriel, Cyril; Jiang, Zuo-Quan","Evolution of pure hydrocarbon hosts: simpler structure, higher performance and universal application in RGB phosphorescent organic light-emitting diodes","Chemical Science","2020","11","19","4887","4894","10.1039/D0SC01238F","","x-ray","0.71073","MoKα","","0.0811","0.0479","","","0.1021","0.1149","","","","","","1.029","","","","has coordinates","257327","2020-10-21","18:00:00",""
"1558011","16.6398","0.0011","9.562","0.0006","16.8786","0.0011","90","","106.273","0.004","90","","2578","0.3","296","2","296","2","","","","","","","","2","P 1 21/a 1","-P 2yab","14","","","","- C37 H24 -","- C37 H24 -","- C148 H96 -","4","1","","Wang, Qiang; Lucas, Fabien; Quinton, Cassandre; Qu, Yang-Kun; Rault-Berthelot, Joëlle; Jeannin, Olivier; Yang, Sheng-Yi; Kong, Fan-Cheng; Kumar, Sarvendra; Liao, Liang-Sheng; Poriel, Cyril; Jiang, Zuo-Quan","Evolution of pure hydrocarbon hosts: simpler structure, higher performance and universal application in RGB phosphorescent organic light-emitting diodes","Chemical Science","2020","11","19","4887","4894","10.1039/D0SC01238F","","x-ray","0.71073","MoKα","","0.1906","0.0612","","","0.1113","0.1533","","","","","","0.967","","","","has coordinates","257327","2020-10-21","18:00:00",""
"1558012","11.2023","0.0016","18.671","0.002","14.855","0.002","90","","108.22","0.005","90","","2951.3","0.7","299","","299","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C43 H28 -","- C43 H28 -","- C172 H112 -","4","1","","Wang, Qiang; Lucas, Fabien; Quinton, Cassandre; Qu, Yang-Kun; Rault-Berthelot, Joëlle; Jeannin, Olivier; Yang, Sheng-Yi; Kong, Fan-Cheng; Kumar, Sarvendra; Liao, Liang-Sheng; Poriel, Cyril; Jiang, Zuo-Quan","Evolution of pure hydrocarbon hosts: simpler structure, higher performance and universal application in RGB phosphorescent organic light-emitting diodes","Chemical Science","2020","11","19","4887","4894","10.1039/D0SC01238F","","","0.71073","MoKα","","0.0794","0.0504","","","0.1195","0.1352","","","","","","1.015","","","","has coordinates","257327","2020-10-21","18:00:00",""
"1558013","9.7756","0.0001","9.7756","0.0001","8.7186","0.0002","90","","90","","120","","721.55","0.02","100","2","100","2","","","","","","","","4","P 3","P 3","143","","","","- Be4 H51 I2 N19 -","- Be4 H23.9997 I2 N19 -","- Be4 H23.9997 I2 N19 -","1","0.333333","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.045","0.0447","","","0.1274","0.1277","","","","","","1.164","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558014","13.4543","0.0003","10.5289","0.0003","16.9967","0.0004","90","","111.134","0.002","90","","2245.79","0.1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Be4 H42 N22 -","- Be4 H42 N22 -","- Be16 H168 N88 -","4","0.5","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.048","0.0367","","","0.1005","0.1079","","","","","","1.047","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558015","14.2177","0.0013","14.2177","0.0013","8.56","0.0012","90","","90","","120","","1498.5","0.3","100","2","100","2","","","","","","","","4","P 3","P 3","143","","","","- Be4 Br2 H36 N14 -","- Be4 Br2 H23.9997 N14 -","- Be12 Br6 H71.9991 N42 -","3","1","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0705","0.0697","","","0.1757","0.1768","","","","","","1.019","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558016","13.9342","0.0001","13.9342","0.0001","8.3727","0.0001","90","","90","","120","","1407.86","0.02","100","2","100","2","","","","","","","","4","P 3","P 3","143","","","","- Be4 Cl2 H36 N14 -","- Be4 Cl2 H36 N14 -","- Be12 Cl6 H108 N42 -","3","1","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0189","0.0175","","","0.0392","0.0395","","","","","","1.028","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558017","14.0852","0.0002","10.1719","0.0001","18.4646","0.0002","90","","112.217","0.001","90","","2449.08","0.05","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Be4 H42 I2 N16 -","- Be4 H42 I2 N16 -","- Be16 H168 I8 N64 -","4","0.5","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0344","0.0343","","","0.0885","0.0886","","","","","","1.072","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558018","9.9563","0.0002","8.5843","0.0001","24.7099","0.0004","90","","97.454","0.001","90","","2094.06","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H33 Be4 N15 S2 -","- C2 H33 Be4 N15 S2 -","- C8 H132 Be16 N60 S8 -","4","1","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0355","0.0239","","","0.0567","0.0597","","","","","","0.905","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558019","9.9478","0.0003","9.9478","0.0003","5.4077","0.0003","90","","90","","90","","535.14","0.04","100","2","100","2","","","","","","","","4","P 42 21 2","P 4n 2n","94","","","","- C8 H16 Be N6 -","- C8 H16 Be N6 -","- C16 H32 Be2 N12 -","2","0.25","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0443","0.0369","","","0.0954","0.0996","","","","","","1.083","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558020","14.1334","0.0003","14.1334","0.0003","8.5563","0.0003","90","","90","","120","","1480.16","0.07","100","2","100","2","","","","","","","","4","P 3","P 3","143","","","","- C2 H36 Be4 N16 -","- C2 H35.9997 Be4 N16 -","- C6 H107.999 Be12 N48 -","3","1","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0407","0.034","","","0.084","0.0862","","","","","","0.995","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558021","20.1994","0.0002","21.2118","0.0002","23.3361","0.0003","90","","90","","90","","9998.72","0.19","100","2","100","2","","","","","","","","6","C c c m","-C 2 2c","66","","","","- C20 H44 Be8 I2 N16 O -","- C20 H44 Be8 I2 N16 O -","- C160 H352 Be64 I16 N128 O8 -","8","0.5","","Müller, Matthias; Karttunen, Antti J.; Buchner, Magnus R.","Speciation of Be2+ in acidic liquid ammonia and formation of tetra- and octanuclear beryllium amido clusters","Chemical Science","2020","11","21","5415","5422","10.1039/D0SC01112F","","","1.54178","CuKα","","0.0305","0.027","","","0.071","0.0732","","","","","","1.036","","","","has coordinates","257400","2020-10-21","18:00:00",""
"1558023","9.8512","0.0013","5.7699","0.0008","11.7734","0.0016","90","","102.85","0.003","90","","652.45","0.15","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C5 H8 O5 -","- C5 H8 O5 -","- C20 H32 O20 -","4","1","","Vil', Vera A.; Barsegyan, Yana A.; Kuhn, Leah; Ekimova, Maria V.; Semenov, Egor A.; Korlyukov, Alexander A.; Terent'ev, Alexander O.; Alabugin, Igor V.","Synthesis of unstrained Criegee intermediates: inverse α-effect and other protective stereoelectronic forces can stop Baeyer‒Villiger rearrangement of γ-hydroperoxy-γ-peroxylactones","Chemical Science","2020","11","20","5313","5322","10.1039/D0SC01025A","","","0.71073","MoKα","","0.0478","0.0366","","","0.091","0.097","","","","","","1.044","","","","has coordinates","257343","2020-10-21","18:00:00",""
"1558028","38.649","0.004","38.649","0.004","38.649","0.004","90","","90","","90","","57732","10","100","2","100","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","PCN-224'","[H2TCPP]3[Zr6O4(OH)4(CH3CO2)6]2","","- C168 H114 N12 O64 Zr12 -","- C168 H114 N12 O64 Zr12 -","- C672 H456 N48 O256 Zr48 -","4","0.0416667","","Zee, David Z.; Harris, T. David","Enhancing catalytic alkane hydroxylation by tuning the outer coordination sphere in a heme-containing metal-organic framework.","Chemical science","2020","11","21","5447","5452","10.1039/d0sc01796e","","","1.54178","CuKα","","0.061","0.0563","","","0.1399","0.145","","","","","","1.132","","","","has coordinates,has disorder","256051","2020-10-21","18:00:00",""
"1558029","38.4891","0.0009","38.4891","0.0009","38.4891","0.0009","90","","90","","90","","57018","2","100","2","100","2","","","","","","","","7","I m -3 m","-I 4 2 3","229","PCN-224'FeCl","[FeCl(TCPP)]3[ZrO4(OH)4(CH3CO2)6]2","","- C168 H108 Cl3 Fe3 N12 O64 Zr12 -","- C168 H112.704 Cl3 Fe3 N12 O64 Zr12 -","- C672 H450.816 Cl12 Fe12 N48 O256 Zr48 -","4","0.0416667","","Zee, David Z.; Harris, T. David","Enhancing catalytic alkane hydroxylation by tuning the outer coordination sphere in a heme-containing metal-organic framework.","Chemical science","2020","11","21","5447","5452","10.1039/d0sc01796e","","","1.54178","CuKα","","0.0844","0.0733","","","0.2249","0.2456","","","","","","1.191","","","","has coordinates,has disorder","256051","2020-10-21","18:00:00",""
"1558030","38.8372","0.0012","38.8372","0.0012","38.8372","0.0012","90","","90","","90","","58579","3","100","2","100","2","","","","","","","","5","I m -3 m","-I 4 2 3","229","PCN-224","[H2TCPP]3[Zr6O4(mu-OH)4(OH)6]2","","- C144 H90 N12 O52 Zr12 -","- C144 H90 N12 O52 Zr12 -","- C576 H360 N48 O208 Zr48 -","4","0.0416667","","Zee, David Z.; Harris, T. David","Enhancing catalytic alkane hydroxylation by tuning the outer coordination sphere in a heme-containing metal-organic framework.","Chemical science","2020","11","21","5447","5452","10.1039/d0sc01796e","","","0.71073","MoKα","","0.0845","0.0696","","","0.2005","0.2246","","","","","","1.038","","","","has coordinates","256051","2020-10-21","18:00:00",""
"1558031","7.749","0.0003","7.749","0.0003","22.032","0.0011","90","","90","","90","","1322.96","0.1","150","2","150","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C13 H14 N4 O -","- C13 H14 N4 O -","- C52 H56 N16 O4 -","4","0.5","","Heywood, Victoria L.; Alford, Thomas P. J.; Roeleveld, Julius J.; Lekanne Deprez, Siebe J.; Verhoofstad, Abraham; van der Vlugt, Jarl Ivar; Domingos, Sérgio R.; Schnell, Melanie; Davis, Anthony P.; Mooibroek, Tiddo J.","Observations of tetrel bonding between sp3-carbon and THF","Chemical Science","2020","11","20","5289","5293","10.1039/D0SC01559H","","","0.71073","MoKα","","0.0468","0.0409","","","0.1126","0.1171","","","","","","0.975","","","","has coordinates","257344","2020-10-21","18:00:00",""
"1558032","15.7335","0.0016","15.6057","0.0016","26.314","0.003","90","","100.54","0.003","90","","6351.9","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Iron Diesterporphyrin","FeDEsP","","- C152 H112 Fe4 N16 O18 -","- C152 H109 Fe4 N16 O18 -","- C304 H218 Fe8 N32 O36 -","2","0.5","","Amanullah, Sk; Dey, Abhishek","The role of porphyrin peripheral substituents in determining the reactivities of ferrous nitrosyl species.","Chemical science","2020","11","23","5909","5921","10.1039/d0sc01625j","","","0.71073","MoKα","","0.2678","0.0836","","","0.1587","0.2346","","","","","","0.956","","","","has coordinates,has disorder","256048","2020-10-21","18:00:00",""
"1558033","11.301","0.003","13.669","0.003","14.795","0.004","92.292","0.008","90.441","0.009","109.916","0.007","2146.5","0.9","119","2","119","2","","","","","","","","6","P -1","-P 1","2","","","","- C90 H74 Cl6 N8 O16 Zn2 -","- C90 H74 Cl6 N8 O16 Zn2 -","- C90 H74 Cl6 N8 O16 Zn2 -","1","0.5","","Amanullah, Sk; Dey, Abhishek","The role of porphyrin peripheral substituents in determining the reactivities of ferrous nitrosyl species.","Chemical science","2020","11","23","5909","5921","10.1039/d0sc01625j","","","0.71073","MoKα","","0.1016","0.0548","","","0.1238","0.1474","","","","","","1.029","","","","has coordinates","256048","2020-10-21","18:00:00",""
"1558034","13.344","0.003","21.257","0.005","14.059","0.003","90","","90","","90","","3987.9","1.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","Zinc Diesterporphyrin","ZnDEsC","","- C45 H38 N5 O5 Zn -","- C45 H28 N5 O5 Zn -","- C180 H112 N20 O20 Zn4 -","4","0.5","","Amanullah, Sk; Dey, Abhishek","The role of porphyrin peripheral substituents in determining the reactivities of ferrous nitrosyl species.","Chemical science","2020","11","23","5909","5921","10.1039/d0sc01625j","","","0.71073","MoKα","","0.0309","0.0281","","","0.0906","0.0922","","","","","","1.158","","","","has coordinates","256048","2020-10-21","18:00:00",""
"1558046","13.4808","0.0009","14.1304","0.001","20.7309","0.0015","81.16","0.002","85.017","0.002","77.197","0.002","3799.4","0.5","116","2","116","2","","","","","","","","4","P -1","-P 1","2","","","","- C66 H118 N4 Si10 -","- C66 H118 N4 Si10 -","- C132 H236 N8 Si20 -","2","1","","Keuter, Jan; Schwermann, Christian; Hepp, Alexander; Bergander, Klaus; Droste, Jörn; Hansen, Michael Ryan; Doltsinis, Nikos L.; Mück-Lichtenfeld, Christian; Lips, Felicitas","A highly unsaturated six-vertex amido-substituted silicon cluster.","Chemical science","2020","11","23","5895","5901","10.1039/d0sc01427c","","","0.71073","MoKα","","0.0476","0.0354","","","0.0881","0.0935","","","","","","1.02","","","","has coordinates,has disorder","256046","2020-10-21","18:00:00",""
"1558047","11.9911","0.0001","34.2594","0.0003","15.9758","0.0002","90","","107.614","0.001","90","","6255.29","0.11","170","0.1","170","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H35 B F4 -","- C40 H35 B F4 -","- C320 H280 B8 F32 -","8","2","","Fu, Xiangyu; Han, Han; Zhang, Di; Yu, Han; He, Qilin; Zhao, Dahui","A polycyclic aromatic hydrocarbon diradical with pH-responsive magnetic properties.","Chemical science","2020","11","21","5565","5571","10.1039/d0sc00770f","","x-ray","1.54184","CuKα","","0.1045","0.0892","","","0.2649","0.2848","","","","","","1.066","","","","has coordinates","256050","2020-10-21","18:00:00",""
"1558050","18.3346","0.0007","15.7546","0.0003","18.3241","0.0003","90","","90.531","0.001","90","","5292.8","0.2","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","bis-(1H-benzimidazol-2-yl)-methane","","- C15 H12 N4 -","- C15 H12 N4 -","- C240 H192 N64 -","16","4","","Horiuchi, Sachio; Ishibashi, Shoji; Haruki, Rie; Kumai, Reiji; Inada, Satoshi; Aoyagi, Shigenobu","Metaelectric multiphase transitions in a highly polarizable molecular crystal.","Chemical science","2020","11","24","6183","6192","10.1039/d0sc01687j","","","1","Synchrotron","","0.0797","0.04","","","0.1173","0.1324","","","","","","0.909","","","","has coordinates","256035","2020-10-21","18:00:00",""
"1558051","18.3126","0.0004","18.3126","0.0004","15.7252","0.0005","90","","90","","90","","5273.5","0.2","296","","296","","","","","","","","","3","P 43","P 4cw","78","","N-deuterated bis-(1H-benzimidazol-2-yl)-methane","","- C15 H12 N4 -","- C15 H12 N4 -","- C240 H192 N64 -","16","4","","Horiuchi, Sachio; Ishibashi, Shoji; Haruki, Rie; Kumai, Reiji; Inada, Satoshi; Aoyagi, Shigenobu","Metaelectric multiphase transitions in a highly polarizable molecular crystal.","Chemical science","2020","11","24","6183","6192","10.1039/d0sc01687j","","","0.71073","MoKα","","0.0824","0.0465","","","0.1319","0.1527","","","","","","1.014","","","","has coordinates","256035","2020-10-21","18:00:00",""
"1558052","18.2293","0.0003","18.2293","0.0003","15.6088","0.0007","90","","90","","90","","5186.9","0.3","160","","160","","","","","","","","","3","P 41","P 4w","76","","bis-(1H-benzimidazol-2-yl)-methane","","- C15 H12 N4 -","- C15 H12 N4 -","- C240 H192 N64 -","16","4","","Horiuchi, Sachio; Ishibashi, Shoji; Haruki, Rie; Kumai, Reiji; Inada, Satoshi; Aoyagi, Shigenobu","Metaelectric multiphase transitions in a highly polarizable molecular crystal.","Chemical science","2020","11","24","6183","6192","10.1039/d0sc01687j","","","1","Synchrotron","","0.1195","0.0571","","","0.1749","0.2036","","","","","","1.067","","","","has coordinates","256035","2020-10-21","18:00:00",""
"1558053","22.088","0.003","5.586","0.0007","24.017","0.003","90","","115.257","0.003","90","","2680","0.6","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","bis-(1H-benzimidazol-2-yl)-methane methanol solvate","","- C31 H28 N8 O -","- C31 H28 N8 O -","- C124 H112 N32 O4 -","4","0.5","","Horiuchi, Sachio; Ishibashi, Shoji; Haruki, Rie; Kumai, Reiji; Inada, Satoshi; Aoyagi, Shigenobu","Metaelectric multiphase transitions in a highly polarizable molecular crystal.","Chemical science","2020","11","24","6183","6192","10.1039/d0sc01687j","","","0.71075","MoKα","","0.0562","0.041","","","0.0923","0.1018","","","","","","1.025","","","","has coordinates","256035","2020-10-21","18:00:00",""
"1558054","18.3296","0.0017","15.7595","0.0015","18.3254","0.0016","90","","90.612","0.003","90","","5293.3","0.8","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","bis-(1H-benzimidazol-2-yl)-methane","","- C15 H12 N4 -","- C15 H12 N4 -","- C240 H192 N64 -","16","4","","Horiuchi, Sachio; Ishibashi, Shoji; Haruki, Rie; Kumai, Reiji; Inada, Satoshi; Aoyagi, Shigenobu","Metaelectric multiphase transitions in a highly polarizable molecular crystal.","Chemical science","2020","11","24","6183","6192","10.1039/d0sc01687j","","","0.71075","MoKα","","0.1199","0.0689","","","0.1621","0.1955","","","","","","1.061","","","","has coordinates","256035","2020-10-21","18:00:00",""
"1558058","10.236","0.0015","32.92","0.005","10.7797","0.0014","90","","105.178","0.005","90","","3505.7","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","MesN3","","- C38 H60 Al N3 -","- C38 H60 Al N3 -","- C152 H240 Al4 N12 -","4","1","","Drescher, Regina; Lin, Shujuan; Hofmann, Alexander; Lenczyk, Carsten; Kachel, Stephanie; Krummenacher, Ivo; Lin, Zhenyang; Braunschweig, Holger","Ring expansion of alumoles with organic azides: selective formation of six-membered aluminum-nitrogen heterocycles.","Chemical science","2020","11","21","5559","5564","10.1039/d0sc02032j","","","0.71073","MoKα","","0.0465","0.0405","","","0.1037","0.1083","","","","","","1.031","","","","has coordinates","256049","2020-10-21","18:00:00",""
"1558059","8.755","0.004","15.965","0.005","11.067","0.005","90","","96.64","0.02","90","","1536.5","1.1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","tertbutylaluminol","","- C32 H58 Al2 -","- C32 H58 Al2 -","- C64 H116 Al4 -","2","0.5","","Drescher, Regina; Lin, Shujuan; Hofmann, Alexander; Lenczyk, Carsten; Kachel, Stephanie; Krummenacher, Ivo; Lin, Zhenyang; Braunschweig, Holger","Ring expansion of alumoles with organic azides: selective formation of six-membered aluminum-nitrogen heterocycles.","Chemical science","2020","11","21","5559","5564","10.1039/d0sc02032j","","","0.71073","MoKα","","0.0612","0.0462","","","0.1167","0.1288","","","","","","1.052","","","","has coordinates","256049","2020-10-21","18:00:00",""
"1558060","12.957","0.006","16.692","0.007","15.618","0.006","90","","96.13","0.02","90","","3359","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","DMAP_koordiniert","","- C36 H59 Al N2 -","- C36 H59 Al N2 -","- C144 H236 Al4 N8 -","4","1","","Drescher, Regina; Lin, Shujuan; Hofmann, Alexander; Lenczyk, Carsten; Kachel, Stephanie; Krummenacher, Ivo; Lin, Zhenyang; Braunschweig, Holger","Ring expansion of alumoles with organic azides: selective formation of six-membered aluminum-nitrogen heterocycles.","Chemical science","2020","11","21","5559","5564","10.1039/d0sc02032j","","","0.71073","MoKα","","0.0505","0.0364","","","0.087","0.0956","","","","","","1.012","","","","has coordinates","256049","2020-10-21","18:00:00",""
"1558061","9.335","0.004","16.672","0.009","17.185","0.007","90","","93.88","0.03","90","","2668","2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Cp3taluminol","","- C29 H49 Al -","- C29 H49 Al -","- C116 H196 Al4 -","4","1","","Drescher, Regina; Lin, Shujuan; Hofmann, Alexander; Lenczyk, Carsten; Kachel, Stephanie; Krummenacher, Ivo; Lin, Zhenyang; Braunschweig, Holger","Ring expansion of alumoles with organic azides: selective formation of six-membered aluminum-nitrogen heterocycles.","Chemical science","2020","11","21","5559","5564","10.1039/d0sc02032j","","","0.71073","MoKα","","0.104","0.0636","","","0.1535","0.1767","","","","","","1.015","","","","has coordinates","256049","2020-10-21","18:00:00",""
"1558062","9.601","0.002","12.75","0.003","13.314","0.002","97.397","0.006","93.793","0.015","94.404","0.007","1606.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","TMSN3","","- C32 H58 Al N Si -","- C32 H58 Al N Si -","- C64 H116 Al2 N2 Si2 -","2","1","","Drescher, Regina; Lin, Shujuan; Hofmann, Alexander; Lenczyk, Carsten; Kachel, Stephanie; Krummenacher, Ivo; Lin, Zhenyang; Braunschweig, Holger","Ring expansion of alumoles with organic azides: selective formation of six-membered aluminum-nitrogen heterocycles.","Chemical science","2020","11","21","5559","5564","10.1039/d0sc02032j","","","0.71073","MoKα","","0.036","0.0337","","","0.0871","0.0889","","","","","","1.033","","","","has coordinates","256049","2020-10-21","18:00:00",""
"1558063","19.5714","0.0005","14.2192","0.0003","14.836","0.0004","90","","96.397","0.001","90","","4103","0.18","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Terhphenylazid","","- C47 H62 Al N3 -","- C47 H62 Al N3 -","- C188 H248 Al4 N12 -","4","1","","Drescher, Regina; Lin, Shujuan; Hofmann, Alexander; Lenczyk, Carsten; Kachel, Stephanie; Krummenacher, Ivo; Lin, Zhenyang; Braunschweig, Holger","Ring expansion of alumoles with organic azides: selective formation of six-membered aluminum-nitrogen heterocycles.","Chemical science","2020","11","21","5559","5564","10.1039/d0sc02032j","","","0.71073","MoKα","","0.1059","0.1029","","","0.2254","0.2266","","","","","","1.281","","","","has coordinates,has disorder","256049","2020-10-21","18:00:00",""
"1558064","9.29339","0.00012","13.27724","0.00015","20.1881","0.0003","90","","91.3644","0.0012","90","","2490.31","0.06","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 I2 Ir N3 O2 -","- C22 H28 I2 Ir N3 O2 -","- C88 H112 I8 Ir4 N12 O8 -","4","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","0.71073","MoKα","","0.0273","0.0208","","","0.0381","0.0398","","","","","","1.093","","","","has coordinates","257399","2020-10-21","18:00:00",""
"1558065","23.165","0.0004","7.44609","0.00009","15.706","0.0002","90","","107.268","0.0016","90","","2587.01","0.07","150","2","150","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C26 H25.5 F3 I Ir N3 O P0.5 -","- C26 H25.5 F3 I Ir N3 O P0.5 -","- C104 H102 F12 I4 Ir4 N12 O4 P2 -","4","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","0.71073","MoKα","","0.0314","0.0231","","","0.0416","0.0439","","","","","","1.05","","","","has coordinates,has disorder","257399","2020-10-21","18:00:00",""
"1558066","9.61097","0.00008","20.10144","0.00016","14.45419","0.00015","90","","103.426","0.001","90","","2716.15","0.04","150","2","150","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 Br F6 I Ir N3 O2 P -","- C22 H27 Br F6 I Ir N3 O2 P -","- C88 H108 Br4 F24 I4 Ir4 N12 O8 P4 -","4","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","1.54184","CuKα","","0.0295","0.0293","","","0.077","0.0772","","","","","","1.121","","","","has coordinates,has disorder","257399","2020-10-21","18:00:00",""
"1558067","9.8587","0.0001","20.2807","0.0002","15.0835","0.0002","90","","105.245","0.001","90","","2909.69","0.06","296","2","296","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 F9 I Ir N3 O2 P -","- C23 H27 F9 I Ir N3 O2 P -","- C92 H108 F36 I4 Ir4 N12 O8 P4 -","4","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","1.54184","CuKα","","0.0526","0.0507","","","0.1375","0.1404","","","","","","1.052","","","","has coordinates,has disorder","257399","2020-10-21","18:00:00",""
"1558068","9.1942","0.0001","8.2158","0.0001","33.7933","0.0003","90","","95.783","0.001","90","","2539.68","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 I2 Ir N3 -","- C26 H26 I2 Ir N3 -","- C104 H104 I8 Ir4 N12 -","4","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","1.54184","CuKα","","0.0262","0.0255","","","0.061","0.0613","","","","","","1.149","","","","has coordinates","257399","2020-10-21","18:00:00",""
"1558069","31.7681","0.0004","8.7023","0.0001","16.6407","0.0002","90","","94.935","0.001","90","","4583.36","0.1","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H24 I2 Ir N3 -","- C21 H24 I2 Ir N3 -","- C168 H192 I16 Ir8 N24 -","8","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","0.71073","MoKα","","0.0257","0.0199","","","0.0401","0.042","","","","","","1.057","","","","has coordinates","257399","2020-10-21","18:00:00",""
"1558070","8.93939","0.00015","18.6768","0.0003","13.452","0.0002","90","","94.066","0.0014","90","","2240.28","0.06","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H27.5 Cl1.5 Ir N3 O2 -","- C22 H27.5 Cl1.5 Ir N3 O2 -","- C88 H110 Cl6 Ir4 N12 O8 -","4","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","0.71073","MoKα","","0.035","0.0245","","","0.0684","0.0991","","","","","","1.297","","","","has coordinates","257399","2020-10-21","18:00:00",""
"1558071","8.71914","0.00018","9.9018","0.0002","15.7288","0.0003","89.3248","0.0016","78.0376","0.0016","88.7062","0.0017","1328.09","0.05","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H26 Cl F6 Ir N3 O P -","- C26 H26 Cl F6 Ir N3 O P -","- C52 H52 Cl2 F12 Ir2 N6 O2 P2 -","2","1","","Zhang, Wen-Ying; Banerjee, Samya; Hughes, George M.; Bridgewater, Hannah E.; Song, Ji-Inn; Breeze, Ben G.; Clarkson, Guy J.; Coverdale, James P. C.; Sanchez-Cano, Carlos; Ponte, Fortuna; Sicilia, Emilia; Sadler, Peter J.","Ligand-centred redox activation of inert organoiridium anticancer catalysts","Chemical Science","2020","11","21","5466","5480","10.1039/D0SC00897D","","x-ray","0.71073","MoKα","","0.034","0.0277","","","0.0595","0.0618","","","","","","1.059","","","","has coordinates","257399","2020-10-21","18:00:00",""
"1558075","7.9439","0.0004","8.6162","0.0004","25.8718","0.0012","90","","90","","90","","1770.83","0.15","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H21 Fe N O3 -","- C21 H21 Fe N O3 -","- C84 H84 Fe4 N4 O12 -","4","1","","Larin, Egor M.; Loup, Joachim; Polishchuk, Iuliia; Ross, Rachel J.; Whyte, Andrew; Lautens, Mark","Enantio- and diastereoselective conjugate borylation/Mannich cyclization","Chemical Science","2020","11","22","5716","5723","10.1039/D0SC02421J","","","0.71073","MoKα","","0.0249","0.0213","","","0.0519","0.0536","","","","","","1.052","","","","has coordinates","257296","2020-10-21","18:00:00",""
"1558076","10.0067","0.0005","14.2962","0.0007","16.3689","0.0008","99.987","0.004","105.704","0.004","107.788","0.004","2061","0.2","220","","220","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H72 B4 Dy2 O2 -","- C34 H72 B4 Dy2 O2 -","- C68 H144 B8 Dy4 O4 -","2","1","","He, Mian; Guo, Fu-Sheng; Tang, Jinkui; Mansikkamäki, Akseli; Layfield, Richard A.","Fulvalene as a platform for the synthesis of a dimetallic dysprosocenium single-molecule magnet.","Chemical science","2020","11","22","5745","5752","10.1039/d0sc02033h","","x-ray","1.54184","CuKα","","0.0444","0.0346","","","0.0806","0.0865","","","","","","1.038","","","","has coordinates","256040","2020-10-21","18:00:00",""
"1558077","13.3199","0.0001","18.1439","0.0001","19.6411","0.0002","90","","107.366","0.001","90","","4530.39","0.07","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H78 B2 Dy2 -","- C46 H78 B2 Dy2 -","- C184 H312 B8 Dy8 -","4","1","","He, Mian; Guo, Fu-Sheng; Tang, Jinkui; Mansikkamäki, Akseli; Layfield, Richard A.","Fulvalene as a platform for the synthesis of a dimetallic dysprosocenium single-molecule magnet.","Chemical science","2020","11","22","5745","5752","10.1039/d0sc02033h","","x-ray","1.54184","CuKα","","0.0306","0.0266","","","0.0635","0.0655","","","","","","1.024","","","","has coordinates","256040","2020-10-21","18:00:00",""
"1558078","18.1029","0.0005","20.9327","0.0004","19.4229","0.0005","90","","111.812","0.003","90","","6833.2","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H74 B2 Dy2 F20 -","- C70 H74 B2 Dy2 F20 -","- C280 H296 B8 Dy8 F80 -","4","1","","He, Mian; Guo, Fu-Sheng; Tang, Jinkui; Mansikkamäki, Akseli; Layfield, Richard A.","Fulvalene as a platform for the synthesis of a dimetallic dysprosocenium single-molecule magnet.","Chemical science","2020","11","22","5745","5752","10.1039/d0sc02033h","","x-ray","1.54184","CuKα","","0.0759","0.0692","","","0.1706","0.1762","","","","","","1.055","","","","has coordinates,has disorder","256040","2020-10-21","18:00:00",""
"1558079","13.16","0.002","13.956","0.003","23.75","0.005","74.835","0.008","81.559","0.008","65.275","0.007","3820.6","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H128 Ce K N16 P4 -","- C56 H128 Ce K N16 P4 -","- C112 H256 Ce2 K2 N32 P8 -","2","1","","Rice, Natalie T.; Popov, Ivan A.; Russo, Dominic R.; Gompa, Thaige P.; Ramanathan, Arun; Bacsa, John; Batista, Enrique R.; Yang, Ping; La Pierre, Henry S.","Comparison of tetravalent cerium and terbium ions in a conserved, homoleptic imidophosphorane ligand field.","Chemical science","2020","11","24","6149","6159","10.1039/d0sc01414a","","","0.71073","MoKα","","0.0534","0.0465","","","0.1145","0.1195","","","","","","1.046","","","","has coordinates,has disorder","256038","2020-10-21","18:00:00",""
"1558080","13.3726","0.001","13.3726","0.001","21.0511","0.0017","90","","90","","90","","3764.5","0.5","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C56 H128 Ce N16 P4 -","- C56 H128 Ce N16 P4 -","- C112 H256 Ce2 N32 P8 -","2","0.25","","Rice, Natalie T.; Popov, Ivan A.; Russo, Dominic R.; Gompa, Thaige P.; Ramanathan, Arun; Bacsa, John; Batista, Enrique R.; Yang, Ping; La Pierre, Henry S.","Comparison of tetravalent cerium and terbium ions in a conserved, homoleptic imidophosphorane ligand field.","Chemical science","2020","11","24","6149","6159","10.1039/d0sc01414a","","","0.71073","MoKα","","0.0266","0.0263","","","0.0689","0.0692","","","","","","1.048","","","","has coordinates","256038","2020-10-21","18:00:00",""
"1558082","14.5788","0.0007","14.6329","0.0007","16.7346","0.0008","90","","96.683","0.003","90","","3545.7","0.3","110","","110","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H50 Co N P2 S -","- C38 H50 Co N P2 S -","- C152 H200 Co4 N4 P8 S4 -","4","1","","Foley, Bryan J.; Palit, Chandra Mouli; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Concerted aryl-sulfur reductive elimination from PNP pincer-supported Co(iii) and subsequent Co(i)/Co(iii) comproportionation.","Chemical science","2020","11","23","6075","6084","10.1039/d0sc01813a","","","0.71073","MoKα","","0.0673","0.0408","","","0.086","0.0968","","","","","","1.03","","","","has coordinates","257394","2020-10-21","18:00:00",""
"1558083","15.273","0.002","10.83","0.0014","18.993","0.003","90","","98.062","0.004","90","","3110.5","0.8","110","","110","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H47 Co N P2 -","- C33 H47 Co N P2 -","- C132 H188 Co4 N4 P8 -","4","1","","Foley, Bryan J.; Palit, Chandra Mouli; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Concerted aryl-sulfur reductive elimination from PNP pincer-supported Co(iii) and subsequent Co(i)/Co(iii) comproportionation.","Chemical science","2020","11","23","6075","6084","10.1039/d0sc01813a","","","0.71073","MoKα","","0.0678","0.0411","","","0.0834","0.0955","","","","","","1.05","","","","has coordinates","257394","2020-10-21","18:00:00",""
"1558084","33.34","0.006","13.858","0.003","14.143","0.003","90","","99.023","0.002","90","","6454","2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(PNP)Co(Ph)(OAc)","","","- C34 H48 Co N O2 P2 -","- C34 H48 Co N O2 P2 -","- C272 H384 Co8 N8 O16 P16 -","8","1","","Foley, Bryan J.; Palit, Chandra Mouli; Bhuvanesh, Nattamai; Zhou, Jia; Ozerov, Oleg V.","Concerted aryl-sulfur reductive elimination from PNP pincer-supported Co(iii) and subsequent Co(i)/Co(iii) comproportionation.","Chemical science","2020","11","23","6075","6084","10.1039/d0sc01813a","","","0.71073","MoKα","","0.0377","0.0299","","","0.076","0.0805","","","","","","1.038","","","","has coordinates","257394","2020-10-21","18:00:00",""
"1558085","18.88","0.014","7.915","0.008","30.41","0.06","90","","98.22","0.04","90","","4498","11","170","2","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H48 Cl2 Co2 N4 O12 -","- C45 H48 Cl2 Co2 N4 O12 -","- C180 H192 Cl8 Co8 N16 O48 -","4","0.5","","Chen, Xin-Ran; Zhang, Shuo-Qing; Meyer, Tjark H.; Yang, Chun-Hui; Zhang, Qin-Hao; Liu, Ji-Ren; Xu, Hua-Jian; Cao, Fa-He; Ackermann, Lutz; Hong, Xin","Carboxylate breaks the arene C‒H bond via a hydrogen-atom-transfer mechanism in electrochemical cobalt catalysis","Chemical Science","2020","11","22","5790","5796","10.1039/D0SC01898H","","","0.71073","MoKα","","0.1265","0.1113","","","0.2499","0.2562","","","","","","1.279","","","","has coordinates","257294","2020-10-21","18:00:00",""
"1558092","10.6734","0.0007","13.492","0.0009","10.8926","0.0008","90","","106.158","0.002","90","","1506.63","0.18","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H28 F6 N2 S2 -","- C33 H28 F6 N2 S2 -","- C66 H56 F12 N4 S4 -","2","1","","Yu, Zhang-Long; Cheng, Yong-Feng; Jiang, Na-Chuan; Wang, Jian; Fan, Li-Wen; Yuan, Yue; Li, Zhong-Liang; Gu, Qiang-Shuai; Liu, Xin-Yuan","Desymmetrization of unactivated bis-alkenes via chiral Brønsted acid-catalysed hydroamination","Chemical Science","2020","11","23","5987","5993","10.1039/D0SC00001A","","x-ray","0.71073","MoKα","","0.0307","0.0276","","","0.0664","0.0679","","","","","","1.06","","","","has coordinates","257396","2020-10-21","18:00:00",""
"1558093","27.3782","0.0016","16.4038","0.0006","8.0743","0.0004","90","","96.106","0.005","90","","3605.6","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H44 N2 O4 -","- C45 H44 N2 O4 -","- C180 H176 N8 O16 -","4","1","","Samanta, Samaresh; Ray, Subir Kumar; Deolka, Shubham; Saha, Sudipta; K R, Pradeep; Bhowal, Rohit; Ghosh, Nirmalya; Chaudhuri, Debangshu","Safeguarding long-lived excitons from excimer traps in H-aggregated dye-assemblies.","Chemical science","2020","11","22","5710","5715","10.1039/d0sc01784a","","x-ray","1.54184","CuKα","","0.1536","0.0831","","","0.2492","0.3254","","","","","","1.01","","","","has coordinates","256039","2020-10-21","18:00:00",""
"1558097","7.8139","0.0002","9.9797","0.0002","21.6351","0.0007","87.227","0.002","84.36","0.002","86.871","0.002","1674.87","0.08","99.9","0.8","99.9","0.8","","","","","","","","4","P -1","-P 1","2","","","","- C45 H31 N5 S -","- C45 H31 N5 S -","- C90 H62 N10 S2 -","2","1","","Luo, Qing; Li, Lin; Ma, Huili; Lv, Chunyan; Jiang, Xueyan; Gu, Xinggui; An, Zhongfu; Zou, Bo; Zhang, Cheng; Zhang, Yujian","Deep-red fluorescence from isolated dimers: a highly bright excimer and imaging in vivo","Chemical Science","2020","11","23","6020","6025","10.1039/D0SC01873B","","x-ray","1.54184","CuKα","","0.0764","0.0713","","","0.1857","0.1886","","","","","","1.125","","","","has coordinates","257397","2020-10-21","18:00:00",""
"1558098","13.7131","0.0002","15.2042","0.0002","25.3794","0.0003","74.859","0.001","78.818","0.001","65.926","0.001","4640.57","0.11","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C76 H144 Co2 K2 N4 O15 P8 -","- C76 H145 Co2 K2 N4 O15 P8 -","- C152 H290 Co4 K4 N8 O30 P16 -","2","1","","Piesch, Martin; Seidl, Michael; Scheer, Manfred","Transformations of the cyclo-P4 ligand in [Cp′′′Co(η4-P4)]","Chemical Science","2020","11","26","6745","6751","10.1039/D0SC01740J","","x-ray","1.54184","CuKα","","0.0344","0.0311","","","0.0773","0.0794","","","","","","1.022","","","","has coordinates","257311","2020-10-21","18:00:00",""
"1558099","17.8715","0.0003","22.5218","0.0004","24.946","0.0005","90","","90","","90","","10040.7","0.3","123","1","123","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C43 H82 Co Li N2 O7 P4 -","- C43 H82 Co Li N2 O7 P4 -","- C344 H656 Co8 Li8 N16 O56 P32 -","8","1","","Piesch, Martin; Seidl, Michael; Scheer, Manfred","Transformations of the cyclo-P4 ligand in [Cp′′′Co(η4-P4)]","Chemical Science","2020","11","26","6745","6751","10.1039/D0SC01740J","","x-ray","1.54184","CuKα","","0.0503","0.0459","","","0.1223","0.1273","","","","","","1.066","","","","has coordinates","257311","2020-10-21","18:00:00",""
"1558100","31.947","0.003","15.571","0.0012","12.6636","0.001","90","","91.67","0.008","90","","6296.8","0.9","123","1","123","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53.5 H99 Co2 Li O3.25 P8 -","- C53.5 H99 Co2 Li O3.25 P8 -","- C214 H396 Co8 Li4 O13 P32 -","4","1","","Piesch, Martin; Seidl, Michael; Scheer, Manfred","Transformations of the cyclo-P4 ligand in [Cp′′′Co(η4-P4)]","Chemical Science","2020","11","26","6745","6751","10.1039/D0SC01740J","","x-ray","0.71073","MoKα","","0.1377","0.0745","","","0.1727","0.1886","","","","","","0.876","","","","has coordinates,has disorder","257311","2020-10-21","18:00:00",""
"1558101","8.8103","0.0003","10.6602","0.0003","17.7138","0.0005","78.926","0.002","89.741","0.002","85.158","0.002","1626.75","0.09","123","0.2","123","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H50 Co Na O5 P4 -","- C25 H50 Co Na O5 P4 -","- C50 H100 Co2 Na2 O10 P8 -","2","1","","Piesch, Martin; Seidl, Michael; Scheer, Manfred","Transformations of the cyclo-P4 ligand in [Cp′′′Co(η4-P4)]","Chemical Science","2020","11","26","6745","6751","10.1039/D0SC01740J","","x-ray","1.54184","CuKα","","0.0441","0.0432","","","0.1169","0.1183","","","","","","1.037","","","","has coordinates","257311","2020-10-21","18:00:00",""
"1558102","14.474","0.0007","18.2968","0.0004","19.7326","0.0006","87.037","0.002","77.66","0.004","86.306","0.003","5090.5","0.3","123","1","123","1","","","","","","","","7","P -1","-P 1","2","","","","- C80 H156 Co2 Li2 O17.5 P8 Si2 -","- C80 H156 Co2 Li2 O17.5 P8 Si2 -","- C160 H312 Co4 Li4 O35 P16 Si4 -","2","1","","Piesch, Martin; Seidl, Michael; Scheer, Manfred","Transformations of the cyclo-P4 ligand in [Cp′′′Co(η4-P4)]","Chemical Science","2020","11","26","6745","6751","10.1039/D0SC01740J","","x-ray","0.71073","MoKα","","0.0967","0.0526","","","0.1051","0.1123","","","","","","0.908","","","","has coordinates,has disorder","257311","2020-10-21","18:00:00",""
"1558103","14.2675","0.0003","15.0423","0.0004","18.2337","0.0005","102.047","0.002","94.044","0.002","114.602","0.002","3424.69","0.17","123.01","0.1","123.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C53 H106 Co2 Li O6 P8 Si -","- C53 H106 Co2 Li O6 P8 Si -","- C106 H212 Co4 Li2 O12 P16 Si2 -","2","1","","Piesch, Martin; Seidl, Michael; Scheer, Manfred","Transformations of the cyclo-P4 ligand in [Cp′′′Co(η4-P4)]","Chemical Science","2020","11","26","6745","6751","10.1039/D0SC01740J","","x-ray","1.54184","CuKα","","0.0608","0.0494","","","0.1219","0.1321","","","","","","1.018","","","","has coordinates","257311","2020-10-21","18:00:00",""
"1558104","10.047","0.0009","11.0487","0.0007","24.242","0.0014","90","","90","","90","","2691","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 O5 -","- C29 H38 O5 -","- C116 H152 O20 -","4","1","","Li, Xin; He, Songtao; Song, Qiuling","Enantio- and diastereoselective diarylmethylation of 1,3-dicarbonyl compounds","Chemical Science","2020","11","23","5969","5973","10.1039/D0SC00142B","","x-ray","0.71073","MoKα","","0.1185","0.0652","","","0.1506","0.1814","","","","","","1.027","","","","has coordinates","257395","2020-10-21","18:00:00",""
"1558105","10.4833","0.0019","14.435","0.002","21.245","0.004","90","","90","","90","","3214.9","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H37 N O7 -","- C33 H37 N O7 -","- C132 H148 N4 O28 -","4","1","","Li, Xin; He, Songtao; Song, Qiuling","Enantio- and diastereoselective diarylmethylation of 1,3-dicarbonyl compounds","Chemical Science","2020","11","23","5969","5973","10.1039/D0SC00142B","","","0.71073","MoKα","","0.2473","0.0864","","","0.1593","0.2271","","","","","","1.032","","","","has coordinates","257395","2020-10-21","18:00:00",""
"1558106","23.808","0.004","10.36","0.003","11.8065","0.0017","90","","95.046","0.015","90","","2900.8","1.1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C31 H39 O4 S -","- C31 H35 O4 S -","- C124 H140 O16 S4 -","4","1","","Li, Xin; He, Songtao; Song, Qiuling","Enantio- and diastereoselective diarylmethylation of 1,3-dicarbonyl compounds","Chemical Science","2020","11","23","5969","5973","10.1039/D0SC00142B","","x-ray","0.71073","MoKα","","0.1964","0.1019","","","0.2143","0.267","","","","","","0.992","","","","has coordinates","257395","2020-10-21","18:00:00",""
"1558113","9.756","0.0017","10.186","0.002","12.84","0.003","98.371","0.007","106.552","0.006","90.234","0.006","1208.7","0.4","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H20.8 Gd2 N2 O19.4 P6 -","- C6 H18 Gd2 N2 O19.4 P6 -","- C12 H36 Gd4 N4 O38.8 P12 -","2","1","","Mendes, Ricardo F.; Barbosa, Paula; Domingues, Eddy M.; Silva, Patrícia; Figueiredo, Filipe; Almeida Paz, Filipe A.","Enhanced proton conductivity in a layered coordination polymer.","Chemical science","2020","11","24","6305","6311","10.1039/d0sc01762k","","","0.71073","MoKα","","0.1526","0.1075","","","0.2641","0.2833","","","","","","1.154","","","","has coordinates","256036","2020-10-21","18:00:00",""
"1558114","20.0922","0.0013","11.4805","0.0006","18.359","0.0011","90","","120.155","0.003","90","","3661.7","0.4","100","","100","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C35 H59 N2 P Si2 U -","- C35 H59 N2 P Si2 U -","- C140 H236 N8 P4 Si8 U4 -","4","1","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Divergent uranium- versus phosphorus-based reduction of Me3SiN3 with steric modification of phosphido ligands","Chemical Science","2020","11","22","5830","5835","10.1039/D0SC02261F","","","0.71073","MoKα","","0.0275","0.0224","","","0.0392","0.0404","","","","","","0.996","","","","has coordinates","257295","2020-10-21","18:00:00",""
"1558115","9.8231","0.0011","11.2078","0.0013","19.039","0.003","82.061","0.004","76.9","0.006","65.055","0.004","1849","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","Bis(pentamethylcyclopentadienyl)-P-trimethylsilyl-P-methylphosphimido-trimethylsilylimidouranium(VI)","","- C35 H58 N2 P Si2 U -","- C35 H58 N2 P Si2 U -","- C70 H116 N4 P2 Si4 U2 -","2","1","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Divergent uranium- versus phosphorus-based reduction of Me3SiN3 with steric modification of phosphido ligands","Chemical Science","2020","11","22","5830","5835","10.1039/D0SC02261F","","","0.71073","MoKα","","0.0769","0.0715","","","0.2212","0.2235","","","","","","1.238","","","","has coordinates","257295","2020-10-21","18:00:00",""
"1558116","10.6409","0.0006","16.5027","0.0009","20.4856","0.0011","85.363","0.002","89.696","0.002","85.317","0.002","3573.6","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C33 H56 N P Si2 U -","- C33 H56 N P Si2 U -","- C132 H224 N4 P4 Si8 U4 -","4","2","","Ward, Robert J.; Rungthanaphatsophon, Pokpong; Rosal, Iker del; Kelley, Steven P.; Maron, Laurent; Walensky, Justin R.","Divergent uranium- versus phosphorus-based reduction of Me3SiN3 with steric modification of phosphido ligands","Chemical Science","2020","11","22","5830","5835","10.1039/D0SC02261F","","","0.71073","MoKα","","0.0671","0.0391","","","0.0667","0.0736","","","","","","1","","","","has coordinates","257295","2020-10-21","18:00:00",""
"1558117","11.3618","0.0009","12.1577","0.001","18.2103","0.0014","98.637","0.003","99.864","0.003","113.651","0.003","2202.3","0.3","123","2","123.01","","","","","","","","","7","P -1","-P 1","2","","","","- C73 H70 Cl2 Fe2 N8 O12 S12 -","- C73 H70 Cl2 Fe2 N8 O12 S12 -","- C73 H70 Cl2 Fe2 N8 O12 S12 -","1","0.5","","Qiu, Ya-Ru; Cui, Long; Cai, Pei-Yu; Yu, Fei; Kurmoo, Mohamedally; Leong, Chanel F.; D'Alessandro, Deanna M; Zuo, Jing-Lin","Enhanced dielectricity coupled to spin-crossover in a one-dimensional polymer iron(ii) incorporating tetrathiafulvalene.","Chemical science","2020","11","24","6229","6235","10.1039/d0sc02388d","","","1.34139","GaKα","","0.1106","0.0654","","","0.169","0.1932","","","","","","1.043","","","","has coordinates,has disorder","257285","2020-10-21","18:00:00",""
"1558118","11.36","0.011","12.085","0.01","16.842","0.014","91.22","0.02","109.72","0.02","111.47","0.02","1998","3","350","2","350","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 Fe N4 O6 S6 -","- C36 H34 Fe N4 O6 S6 -","- C72 H68 Fe2 N8 O12 S12 -","2","1","","Qiu, Ya-Ru; Cui, Long; Cai, Pei-Yu; Yu, Fei; Kurmoo, Mohamedally; Leong, Chanel F.; D'Alessandro, Deanna M; Zuo, Jing-Lin","Enhanced dielectricity coupled to spin-crossover in a one-dimensional polymer iron(ii) incorporating tetrathiafulvalene.","Chemical science","2020","11","24","6229","6235","10.1039/d0sc02388d","","","0.71073","MoKα","","0.2822","0.129","","","0.2426","0.3013","","","","","","1.092","","","","has coordinates","257285","2020-10-21","18:00:00",""
"1558119","4.795","0.0015","25.807","0.008","26.902","0.008","90","","91.827","0.006","90","","3327.3","1.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N3 O6 S6 -","- C28 H31 N3 O6 S6 -","- C112 H124 N12 O24 S24 -","4","1","","Qiu, Ya-Ru; Cui, Long; Cai, Pei-Yu; Yu, Fei; Kurmoo, Mohamedally; Leong, Chanel F.; D'Alessandro, Deanna M; Zuo, Jing-Lin","Enhanced dielectricity coupled to spin-crossover in a one-dimensional polymer iron(ii) incorporating tetrathiafulvalene.","Chemical science","2020","11","24","6229","6235","10.1039/d0sc02388d","","","0.71073","MoKα","","0.1152","0.0621","","","0.1391","0.1608","","","","","","1.029","","","","has coordinates","257285","2020-10-21","18:00:00",""
"1558120","7.9871","0.0004","15.6608","0.0008","19.341","0.0011","74.494","0.005","87.66","0.004","76.49","0.004","2266.1","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H31 B F2 N2 O -","- C25 H31 B F2 N2 O -","- C100 H124 B4 F8 N8 O4 -","4","2","","Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom","The effect of structural heterogeneity upon the microviscosity of ionic liquids.","Chemical science","2020","11","24","6121","6133","10.1039/d0sc02009e","","","1.54184","CuKα","","0.071","0.0477","","","0.123","0.1369","","","","","","1.032","","","","has coordinates","256037","2020-10-21","18:00:00",""
"1558121","13.7964","0.0007","14.4462","0.0006","14.8908","0.0007","103.965","0.004","99.568","0.004","104.025","0.004","2713.5","0.2","172","4","172","4","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 F6 N2 O4 S4 -","- C24 H22 F6 N2 O4 S4 -","- C96 H88 F24 N8 O16 S16 -","4","2","","Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom","The effect of structural heterogeneity upon the microviscosity of ionic liquids.","Chemical science","2020","11","24","6121","6133","10.1039/d0sc02009e","","x-ray","1.54184","CuKα","","0.0673","0.0493","","","0.1364","0.1511","","","","","","1.04","","","","has coordinates,has disorder","256037","2020-10-21","18:00:00",""
"1558122","7.9187","0.0004","12.1261","0.0007","13.0689","0.0006","82.67","0.004","78.619","0.004","79.315","0.005","1203.5","0.11","173.05","0.1","173.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C22 H23 Cl2 I N2 S2 -","- C22 H23 Cl2 I N2 S2 -","- C44 H46 Cl4 I2 N4 S4 -","2","1","","Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom","The effect of structural heterogeneity upon the microviscosity of ionic liquids.","Chemical science","2020","11","24","6121","6133","10.1039/d0sc02009e","","x-ray","0.71073","MoKα","","0.0399","0.0329","","","0.0738","0.0785","","","","","","1.048","","","","has coordinates","256037","2020-10-21","18:00:00",""
"1558123","17.7575","0.0009","19.0198","0.0008","15.2682","0.0007","90","","114.649","0.006","90","","4686.9","0.4","173","0.14","173","0.14","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 B0.43 F1.72 I0.57 N2 S2 -","- C21 H21 B0.4296 F1.7184 I0.5704 N2 S2 -","- C168 H168 B3.4368 F13.7472 I4.5632 N16 S16 -","8","1","","Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom","The effect of structural heterogeneity upon the microviscosity of ionic liquids.","Chemical science","2020","11","24","6121","6133","10.1039/d0sc02009e","","x-ray","0.71073","MoKα","","0.061","0.0369","","","0.0743","0.0832","","","","","","1.008","","","","has coordinates,has disorder","256037","2020-10-21","18:00:00",""
"1558124","13.3057","0.0004","12.066","0.0004","14.7108","0.0005","90","","108.185","0.004","90","","2243.81","0.14","173","0.14","173","0.14","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 F3 N2 O3 S3 -","- C22 H21 F3 N2 O3 S3 -","- C88 H84 F12 N8 O12 S12 -","4","1","","Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom","The effect of structural heterogeneity upon the microviscosity of ionic liquids.","Chemical science","2020","11","24","6121","6133","10.1039/d0sc02009e","","x-ray","0.71073","MoKα","","0.0526","0.0369","","","0.0772","0.0845","","","","","","1.028","","","","has coordinates","256037","2020-10-21","18:00:00",""
"1558125","14.7979","0.0002","21.9313","0.0003","18.008","0.0003","90","","112.854","0.002","90","","5385.48","0.16","173","0.14","173","0.14","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C23 H21 F6 N3 O4 S4 -","- C23 H21 F6 N3 O4 S4 -","- C184 H168 F48 N24 O32 S32 -","8","1","","Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom","The effect of structural heterogeneity upon the microviscosity of ionic liquids.","Chemical science","2020","11","24","6121","6133","10.1039/d0sc02009e","","x-ray","1.54184","CuKα","","0.0807","0.0686","","","0.1802","0.1933","","","","","","1.048","","","","has coordinates","256037","2020-10-21","18:00:00",""
"1558126","17.6864","0.0008","18.688","0.0008","15.795","0.0008","90","","114.792","0.006","90","","4739.5","0.4","172.95","0.1","172.95","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 F6 N2 P S2 -","- C21 H21 F6 N2 P S2 -","- C168 H168 F48 N16 P8 S16 -","8","1","","Clark, Ryan; Nawawi, Mohd A.; Dobre, Ana; Pugh, David; Liu, Qingshan; Ivanov, Aleksandar P.; White, Andrew J. P.; Edel, Joshua B.; Kuimova, Marina K.; McIntosh, Alastair J. S.; Welton, Tom","The effect of structural heterogeneity upon the microviscosity of ionic liquids.","Chemical science","2020","11","24","6121","6133","10.1039/d0sc02009e","","x-ray","0.71073","MoKα","","0.0782","0.066","","","0.1906","0.2032","","","","","","1.042","","","","has coordinates,has disorder","256037","2020-10-21","18:00:00",""
"1558127","10.7051","0.0008","10.9218","0.0009","12.9779","0.0004","81.166","0.006","67.584","0.006","72.381","0.007","1335.66","0.17","197","130","197","130","","","","","","","","4","P -1","-P 1","2","","","","- C33 H37 N O -","- C33 H37 N O -","- C66 H74 N2 O2 -","2","1","","Shankar, Majji; Rit, Raja K.; Sau, Somratan; Mukherjee, Kallol; Gandon, Vincent; Sahoo, Akhila K.","Double annulation of ortho- and peri-C‒H bonds of fused (hetero)arenes to unusual oxepino-pyridines","Chemical Science","2020","11","39","10770","10777","10.1039/D0SC01373K","","x-ray","0.71073","MoKα","","0.1239","0.0841","","","0.2515","0.2861","","","","","","1.128","","","","has coordinates","258780","2020-11-06","11:31:00",""
"1558128","14.5781","0.0004","9.3138","0.0003","18.8307","0.0006","90","","94.961","0.003","90","","2547.21","0.14","295.5","0.4","295.5","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28.48 H23 Cl N O2 -","- C28 H23 Cl N O2 -","- C112 H92 Cl4 N4 O8 -","4","1","","Shankar, Majji; Rit, Raja K.; Sau, Somratan; Mukherjee, Kallol; Gandon, Vincent; Sahoo, Akhila K.","Double annulation of ortho- and peri-C‒H bonds of fused (hetero)arenes to unusual oxepino-pyridines","Chemical Science","2020","11","39","10770","10777","10.1039/D0SC01373K","","x-ray","0.71073","MoKα","","0.13","0.0863","","","0.2665","0.3098","","","","","","1.112","","","","has coordinates","258780","2020-11-06","11:31:01",""
"1558129","15.001","0.003","10.5247","0.0015","22.239","0.004","90","","94.419","0.008","90","","3500.7","1.1","223","2","223.12","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H45 N O -","- C41 H45 N O -","- C164 H180 N4 O4 -","4","1","","Shankar, Majji; Rit, Raja K.; Sau, Somratan; Mukherjee, Kallol; Gandon, Vincent; Sahoo, Akhila K.","Double annulation of ortho- and peri-C‒H bonds of fused (hetero)arenes to unusual oxepino-pyridines","Chemical Science","2020","11","39","10770","10777","10.1039/D0SC01373K","","","0.71073","MoKα","","0.169","0.0893","","","0.217","0.2635","","","","","","1.027","","","","has coordinates","258780","2020-11-06","11:31:01",""
"1558153","5.9143","0.0001","12.5172","0.0003","14.5829","0.0003","90","","97.421","0.002","90","","1070.54","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H23 N O5 S -","- C25 H23 N O5 S -","- C50 H46 N2 O10 S2 -","2","1","","Tao, Mengna; Tu, Youshao; Liu, Yu; Wu, Haihong; Liu, Lu; Zhang, Junliang","Pd/Xiang-Phos-catalyzed enantioselective intermolecular carboheterofunctionalization under mild conditions.","Chemical science","2020","11","24","6283","6288","10.1039/d0sc01391a","","x-ray","1.54184","CuKα","","0.0532","0.0523","","","0.1408","0.1417","","","","","","1.05","","","","has coordinates","257286","2020-10-21","18:00:00",""
"1558154","8.9043","0.0001","10.7948","0.0001","31.6319","0.0002","90","","90","","90","","3040.46","0.05","100","0.4","100","0.4","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O3 S -","- C17 H17 N O3 S -","- C136 H136 N8 O24 S8 -","8","2","","Tao, Mengna; Tu, Youshao; Liu, Yu; Wu, Haihong; Liu, Lu; Zhang, Junliang","Pd/Xiang-Phos-catalyzed enantioselective intermolecular carboheterofunctionalization under mild conditions.","Chemical science","2020","11","24","6283","6288","10.1039/d0sc01391a","","x-ray","1.54184","CuKα","","0.0306","0.03","","","0.0748","0.0751","","","","","","1.036","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1558166","26.2516","0.0005","26.2516","0.0005","26.8975","0.0008","90","","90","","120","","16052.9","0.6","179.98","0.15","179.98","0.15","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C55 H49 Co N4 O3 -","- C55 H49 Co N4 O3 -","- C660 H588 Co12 N48 O36 -","12","1","","Wu, Zhenqiang; Peng, Chi-How; Fu, Xuefeng","Tacticity control approached by visible-light induced organocobalt-mediated radical polymerization: the synthesis of crystalline poly(N,N-dimethylacrylamide) with high isotacticity","Polymer Chemistry","2020","11","27","4387","4395","10.1039/D0PY00587H","","","0.71073","MoKα","","0.0872","0.052","","","0.1205","0.139","","","","","","1.025","","","","has coordinates","257933","2020-10-21","18:00:00",""
"1558167","26.3082","0.0011","13.2167","0.0006","19.661","0.0008","90","","94.33","0.002","90","","6816.8","0.5","173","2","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73 H57 Br2 Cl3 N2 Ni O -","- C73 H57 Br2 Cl3 N2 Ni O -","- C292 H228 Br8 Cl12 N8 Ni4 O4 -","4","1","","Hu, Xiaoqiang; Wang, Chaoqun; Jian, Zhongbao","Comprehensive studies of the ligand electronic effect on unsymmetrical α-diimine nickel(ii) promoted ethylene (co)polymerizations","Polymer Chemistry","2020","11","24","4005","4012","10.1039/D0PY00536C","","","1.54184","CuKα","","0.0568","0.0552","","","0.1477","0.1492","","","","","","1.091","","","","has coordinates","257931","2020-10-21","18:00:00",""
"1558168","11.6968","0.0008","14.6139","0.001","20.2591","0.0013","93.384","0.003","95.778","0.003","100.036","0.003","3382.3","0.4","173","2","173","","","","","","","","","7","P -1","-P 1","2","","","","- C72 H52 Br2 F4 N2 Ni O -","- C72 H52 Br2 F4 N2 Ni O -","- C144 H104 Br4 F8 N4 Ni2 O2 -","2","1","","Hu, Xiaoqiang; Wang, Chaoqun; Jian, Zhongbao","Comprehensive studies of the ligand electronic effect on unsymmetrical α-diimine nickel(ii) promoted ethylene (co)polymerizations","Polymer Chemistry","2020","11","24","4005","4012","10.1039/D0PY00536C","","","1.54184","CuKα","","0.045","0.0408","","","0.0976","0.1016","","","","","","1.059","","","","has coordinates","257931","2020-10-21","18:00:00",""
"1558174","6.6095","0.0001","17.787","0.0002","14.0522","0.0001","90","","103.1","0.001","90","","1609.03","0.03","93.15","","93.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O2 S -","- C18 H18 N2 O2 S -","- C72 H72 N8 O8 S4 -","4","1","","Pagire, Santosh K.; Kumagai, Naoya; Shibasaki, Masakatsu","Introduction of a 7-aza-6-MeO-indoline auxiliary in Lewis-acid/photoredox cooperative catalysis: highly enantioselective aminomethylation of α,β-unsaturated amides","Chemical Science","2020","11","20","5168","5174","10.1039/D0SC01890B","","x-ray","1.54184","CuKα","","0.0667","0.0653","","","0.173","0.1739","","","","","","1.047","","","","has coordinates","257346","2020-10-21","18:00:00",""
"1558175","6.0571","0.0001","10.1647","0.0001","14.3715","0.0002","103.628","0.001","98.272","0.001","101.112","0.001","827.01","0.02","93.15","","93.15","","","","","","","","","4","P 1","P 1","1","","","","- C19 H23 N3 O2 -","- C19 H23 N3 O2 -","- C38 H46 N6 O4 -","2","2","","Pagire, Santosh K.; Kumagai, Naoya; Shibasaki, Masakatsu","Introduction of a 7-aza-6-MeO-indoline auxiliary in Lewis-acid/photoredox cooperative catalysis: highly enantioselective aminomethylation of α,β-unsaturated amides","Chemical Science","2020","11","20","5168","5174","10.1039/D0SC01890B","","x-ray","1.54184","CuKα","","0.0368","0.0356","","","0.0957","0.0966","","","","","","1.081","","","","has coordinates","275856","2022-06-07","07:08:27",""
"1558176","21.7889","0.0004","16.4491","0.0004","24.0629","0.0005","90","","106.505","0.002","90","","8269","0.3","93.15","","93.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C80 H87 Cu F6 N3 O5 P3 -","- C80 H87 Cu F6 N3 O5 P3 -","- C320 H348 Cu4 F24 N12 O20 P12 -","4","1","","Pagire, Santosh K.; Kumagai, Naoya; Shibasaki, Masakatsu","Introduction of a 7-aza-6-MeO-indoline auxiliary in Lewis-acid/photoredox cooperative catalysis: highly enantioselective aminomethylation of α,β-unsaturated amides","Chemical Science","2020","11","20","5168","5174","10.1039/D0SC01890B","","x-ray","1.54184","CuKα","","0.1027","0.068","","","0.1866","0.2118","","","","","","1.056","","","","has coordinates","257346","2020-10-21","18:00:00",""
"1558195","8.4965","0.0005","7.8419","0.0005","26.1413","0.0017","90","","90.318","0.002","90","","1741.73","0.19","296","2","296.15","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C12 H36 Ag Br12 In N4 -","- C12 H36 Ag Br12 In N4 -","- C24 H72 Ag2 Br24 In2 N8 -","2","0.5","","Connor, Bridget A.; Biega, Raisa-Ioana; Leppert, Linn; Karunadasa, Hemamala I.","Dimensional reduction of the small-bandgap double perovskite Cs<sub>2</sub>AgTlBr<sub>6</sub>.","Chemical science","2020","11","29","7708","7715","10.1039/d0sc01580f","","","0.71073","MoKα","","0.0684","0.0599","","","0.1573","0.1641","","","","","","1.112","","","","has coordinates,has disorder","256034","2020-10-21","18:00:00",""
"1558196","11.3098","0.0004","12.6075","0.0005","18.2063","0.0007","90","","95.713","0.002","90","","2583.11","0.17","295","","295","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H22 Ag Br8 N6 Tl -","- C10 H22 Ag Br8 N6 Tl -","- C40 H88 Ag4 Br32 N24 Tl4 -","4","0.5","","Connor, Bridget A.; Biega, Raisa-Ioana; Leppert, Linn; Karunadasa, Hemamala I.","Dimensional reduction of the small-bandgap double perovskite Cs<sub>2</sub>AgTlBr<sub>6</sub>.","Chemical science","2020","11","29","7708","7715","10.1039/d0sc01580f","","","0.7288","synchrotron","","0.05","0.0496","","","0.1036","0.1041","","","","","","1.126","","","","has coordinates","256034","2020-10-21","18:00:00",""
"1558197","8.4673","0.0003","7.8406","0.0003","26.1647","0.001","90","","90.312","0.002","90","","1737.01","0.11","298","","298","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C12 H36 Ag Br12 N4 Tl -","- C12 H36 Ag Br12 N4 Tl -","- C24 H72 Ag2 Br24 N8 Tl2 -","2","0.5","","Connor, Bridget A.; Biega, Raisa-Ioana; Leppert, Linn; Karunadasa, Hemamala I.","Dimensional reduction of the small-bandgap double perovskite Cs<sub>2</sub>AgTlBr<sub>6</sub>.","Chemical science","2020","11","29","7708","7715","10.1039/d0sc01580f","","","0.7288","synchrotron","","0.0495","0.038","","","0.0862","0.0905","","","","","","1.082","","","","has coordinates,has disorder","256034","2020-10-21","18:00:00",""
"1558198","7.8617","0.0006","7.8687","0.0006","23.0185","0.0011","83.703","0.005","85.727","0.005","89.818","0.006","1411.41","0.17","298","","298","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H24 Ag Br7 Cs N2 Tl -","- C16 H24 Ag Br7 Cs N2 Tl -","- C32 H48 Ag2 Br14 Cs2 N4 Tl2 -","2","1","","Connor, Bridget A.; Biega, Raisa-Ioana; Leppert, Linn; Karunadasa, Hemamala I.","Dimensional reduction of the small-bandgap double perovskite Cs<sub>2</sub>AgTlBr<sub>6</sub>.","Chemical science","2020","11","29","7708","7715","10.1039/d0sc01580f","","","0.6888","synchrotron","","0.0882","0.0661","","","0.1745","0.1934","","","","","","1.072","","","","has coordinates","256034","2020-10-21","18:00:00",""
"1558253","28.78","0.003","10.3596","0.0009","15.8174","0.0013","90","","90.308","0.005","90","","4715.9","0.7","149.9","","149.9","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H25 B F2 N6 -","- C26 H25 B F2 N6 -","- C208 H200 B8 F16 N48 -","8","1","","Wang, Danfeng; Malmberg, Robert; Pernik, Indrek; Prasad, Shyamal K. K.; Roemer, Max; Venkatesan, Koushik; Schmidt, Timothy W.; Keaveney, Sinead T.; Messerle, Barbara A.","Development of tethered dual catalysts: synergy between photo- and transition metal catalysts for enhanced catalysis.","Chemical science","2020","11","24","6256","6267","10.1039/d0sc02703k","","","0.71073","MoKα","","0.0538","0.0395","","","0.1003","0.1108","","","","","","1.066","","","","has coordinates","257284","2020-10-21","18:00:00",""
"1558254","16.4813","0.0008","27.568","0.0013","12.5577","0.0007","90","","104.255","0.002","90","","5530","0.5","149.62","","149.62","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60.5 H61 B2 Cl2 F2 Ir N6 -","- C60.5 H61 B2 Cl2 F2 Ir N6 -","- C242 H244 B8 Cl8 F8 Ir4 N24 -","4","1","","Wang, Danfeng; Malmberg, Robert; Pernik, Indrek; Prasad, Shyamal K. K.; Roemer, Max; Venkatesan, Koushik; Schmidt, Timothy W.; Keaveney, Sinead T.; Messerle, Barbara A.","Development of tethered dual catalysts: synergy between photo- and transition metal catalysts for enhanced catalysis.","Chemical science","2020","11","24","6256","6267","10.1039/d0sc02703k","","","0.71073","MoKα","","0.0491","0.0356","","","0.083","0.0899","","","","","","1.055","","","","has coordinates,has disorder","257284","2020-10-21","18:00:00",""
"1558255","26.308","0.006","7.8235","0.0016","24.123","0.005","90","","112.783","0.014","90","","4577.6","1.8","99","2","99.06","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H25 B F2 N6 -","- C26 H25 B F2 N6 -","- C208 H200 B8 F16 N48 -","8","1","","Wang, Danfeng; Malmberg, Robert; Pernik, Indrek; Prasad, Shyamal K. K.; Roemer, Max; Venkatesan, Koushik; Schmidt, Timothy W.; Keaveney, Sinead T.; Messerle, Barbara A.","Development of tethered dual catalysts: synergy between photo- and transition metal catalysts for enhanced catalysis.","Chemical science","2020","11","24","6256","6267","10.1039/d0sc02703k","","","0.71073","MoKα","","0.0969","0.0577","","","0.1215","0.1402","","","","","","1.028","","","","has coordinates","257284","2020-10-21","18:00:00",""
"1558256","18.4114","0.0015","18.6821","0.0019","22.004","0.002","93.733","0.004","105.248","0.004","113.314","0.003","6582.5","1.1","100","2","99.69","","","","","","","","","7","P -1","-P 1","2","","","","- C61.88 H40.12 B2 F26 Ir N6 O2 -","- C61.875 H40.125 B2 F26 Ir N6 O2 -","- C247.5 H160.5 B8 F104 Ir4 N24 O8 -","4","2","","Wang, Danfeng; Malmberg, Robert; Pernik, Indrek; Prasad, Shyamal K. K.; Roemer, Max; Venkatesan, Koushik; Schmidt, Timothy W.; Keaveney, Sinead T.; Messerle, Barbara A.","Development of tethered dual catalysts: synergy between photo- and transition metal catalysts for enhanced catalysis.","Chemical science","2020","11","24","6256","6267","10.1039/d0sc02703k","","","0.71073","MoKα","","0.0766","0.0526","","","0.1278","0.1432","","","","","","1.037","","","","has coordinates,has disorder","257284","2020-10-21","18:00:00",""
"1558259","15.1904","0.0002","15.2935","0.0003","23.3304","0.0004","90","","90","","90","","5419.99","0.16","100.01","0.1","100.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C34 H26 Co N4 O2 -","- C34 H26 Co N4 O2 -","- C272 H208 Co8 N32 O16 -","8","1","","Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.","Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.","Chemical science","2020","11","23","6085","6096","10.1039/d0sc02066d","","x-ray","0.71073","MoKα","","0.0469","0.0355","","","0.0957","0.1006","","","","","","1.033","","","","has coordinates","256047","2020-10-21","18:00:00",""
"1558260","11.1539","0.0003","16.6946","0.0004","14.6989","0.0003","90","","99.257","0.002","90","","2701.43","0.11","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H24 Co N4 O2 -","- C34 H24 Co N4 O2 -","- C136 H96 Co4 N16 O8 -","4","1","","Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.","Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.","Chemical science","2020","11","23","6085","6096","10.1039/d0sc02066d","","x-ray","1.54184","CuKα","","0.08","0.0649","","","0.1669","0.18","","","","","","1.061","","","","has coordinates","256047","2020-10-21","18:00:00",""
"1558261","14.5135","0.0005","16.2562","0.0004","17.4421","0.0008","87.763","0.003","69.624","0.004","70.719","0.003","3627.9","0.3","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C38 H35 Co N4 O4 -","- C38 H35 Co N4 O4 -","- C152 H140 Co4 N16 O16 -","4","2","","Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.","Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.","Chemical science","2020","11","23","6085","6096","10.1039/d0sc02066d","","x-ray","1.54184","CuKα","","0.1157","0.0909","","","0.2336","0.2488","","","","","","1.032","","","","has coordinates","256047","2020-10-21","18:00:00",""
"1558262","10.53544","0.00014","12.59025","0.00016","15.1966","0.0002","79.8711","0.0012","86.4335","0.0012","78.999","0.0011","1947","0.05","155","0.1","155","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C45 H39 Co N2 O5 P -","- C45 H39 Co N2 O5 P -","- C90 H78 Co2 N4 O10 P2 -","2","1","","Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.","Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.","Chemical science","2020","11","23","6085","6096","10.1039/d0sc02066d","","x-ray","0.71073","MoKα","","0.0599","0.0475","","","0.1278","0.1343","","","","","","1.041","","","","has coordinates,has disorder","256047","2020-10-21","18:00:00",""
"1558263","13.10757","0.00017","22.2355","0.0003","16.9979","0.0002","90","","101.054","0.0014","90","","4862.18","0.11","101","2","101","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C55 H61 Co N2 O6 P -","- C55 H61 Co N2 O6 P -","- C220 H244 Co4 N8 O24 P4 -","4","1","","Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.","Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.","Chemical science","2020","11","23","6085","6096","10.1039/d0sc02066d","","x-ray","0.71073","MoKα","","0.0618","0.0466","","","0.123","0.1314","","","","","","1.051","","","","has coordinates,has disorder","256047","2020-10-21","18:00:00",""
"1558264","11.6863","0.0007","20.5971","0.0008","19.6222","0.0009","90","","106.514","0.006","90","","4528.3","0.4","101","2","101","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H41 Cl4 Co N6 O3 -","- C53 H41 Cl4 Co N6 O3 -","- C212 H164 Cl16 Co4 N24 O12 -","4","1","","Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.","Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.","Chemical science","2020","11","23","6085","6096","10.1039/d0sc02066d","","x-ray","1.54184","CuKα","","0.0898","0.067","","","0.1809","0.1965","","","","","","1.017","","","","has coordinates,has disorder","256047","2020-10-21","18:00:00",""
"1558265","10.9148","0.0002","12.216","0.0002","14.515","0.0003","77.378","0.002","74.686","0.002","89.375","0.002","1819.28","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H39 Co N4 O4 -","- C45 H39 Co N4 O4 -","- C90 H78 Co2 N8 O8 -","2","1","","Xu, Li-Ping; Liu, Elaine E. L.-N.; Bacsa, John; MacBeth, Cora E.; Musaev, Djamaladdin G.","Mechanistic details of the cobalt-mediated dehydrogenative dimerization of aminoquinoline-directed benzamides.","Chemical science","2020","11","23","6085","6096","10.1039/d0sc02066d","","x-ray","0.71073","MoKα","","0.0449","0.0393","","","0.1085","0.1124","","","","","","1.056","","","","has coordinates,has disorder","256047","2020-10-21","18:00:00",""
"1558285","12.5498","0.0014","9.3561","0.001","20.332","0.002","90","","93.893","0.002","90","","2381.8","0.4","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C46 H40 N2 O6 -","- C46 H40 N2 O6 -","- C92 H80 N4 O12 -","2","0.5","","Hu, Xiaofan; Mu, Hongliang; Miao, Jie; Lu, Yao; Wang, Xianwei; Meng, Xiangsheng; Wang, Zhen; Yan, Jingling","Synthesis and gas separation performance of intrinsically microporous polyimides derived from sterically hindered binaphthalenetetracarboxylic dianhydride","Polymer Chemistry","2020","11","25","4172","4179","10.1039/D0PY00594K","","","0.71073","MoKα","","0.0801","0.054","","","0.148","0.1669","","","","","","1.028","","","","has coordinates","257942","2020-10-21","18:00:00",""
"1558304","24.325","0.0009","9.9336","0.0004","28.2901","0.0012","90","","104.953","0.0014","90","","6604.4","0.5","250","2","250","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","JL-376-1_250K","","","- C36 H29 B F2 N2 O0.5 -","- C36 H29 B F2 N2 O0.5 -","- C288 H232 B8 F16 N16 O4 -","8","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.139","0.0746","","","0.2262","0.2774","","","","","","1.051","","","","has coordinates,has disorder","258779","2020-11-06","11:30:40",""
"1558305","11.6062","0.0005","32.6033","0.001","7.6374","0.0003","90","","108.632","0.002","90","","2738.53","0.18","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","JL376-21_250K","","","- C34 H25 B F2 N2 -","- C34 H25 B F2 N2 -","- C136 H100 B4 F8 N8 -","4","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.091","0.0497","","","0.1316","0.1607","","","","","","1.099","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558306","12.5426","0.0005","41.2031","0.0015","13.9741","0.0005","90","","115.881","0.001","90","","6497.4","0.4","250","2","250","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","JL376_1_250K","","","- C44 H33 B F2 N2 -","- C44 H33 B F2 N2 -","- C352 H264 B8 F16 N16 -","8","2","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.0862","0.0466","","","0.1442","0.1878","","","","","","1.039","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558307","20.361","0.006","16.095","0.005","23.355","0.007","90","","114.048","0.007","90","","6989","4","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","JL364-68.MOR_200K","","","- C48 H38 N2 O2 -","- C48 H38 N2 O2 -","- C384 H304 N16 O16 -","8","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.2306","0.0729","","","0.1629","0.2629","","","","","","1.003","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558308","10.1937","0.0006","11.001","0.0006","14.28","0.0007","105.446","0.003","103.611","0.003","94.765","0.003","1481.92","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","JL376-11","","","- C36 H29 B F2 N2 -","- C36 H29 B F2 N2 -","- C72 H58 B2 F4 N4 -","2","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.1582","0.0561","","","0.1473","0.2279","","","","","","1.031","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558309","14.395","0.004","14.038","0.003","18.526","0.005","90","","108.639","0.011","90","","3547.3","1.6","250","2","250","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","JL376-5_250K","","","- C36 H29 B F2 N2 -","- C36 H29 B F2 N2 -","- C144 H116 B4 F8 N8 -","4","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.1716","0.0962","","","0.2819","0.3532","","","","","","1.03","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558310","7.916","0.0014","10.089","0.002","15.968","0.003","79.032","0.011","88.721","0.01","85.253","0.01","1247.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","JL376-21DEHIDRO","","","- C31 H25 B F2 N2 -","- C31 H25 B F2 N2 -","- C62 H50 B2 F4 N4 -","2","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.0602","0.044","","","0.1348","0.1632","","","","","","1.031","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558311","16.0345","0.0007","8.5128","0.0004","17.8694","0.0007","90","","93.426","0.002","90","","2434.79","0.18","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","JL376-22DEH_200K","","","- C31 H25 B F2 N2 -","- C31 H25 B F2 N2 -","- C124 H100 B4 F8 N8 -","4","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.0464","0.0369","","","0.0984","0.1078","","","","","","1.052","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558312","21.0905","0.0005","18.983","0.0006","8.7486","0.0003","90","","90","","90","","3502.6","0.18","250","2","250","2","","","","","","","","5","P n m a","-P 2ac 2n","62","JL376-26_250K","","","- C46 H33 B F2 N2 -","- C46 H33 B F2 N2 -","- C184 H132 B4 F8 N8 -","4","0.5","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.0808","0.0421","","","0.1233","0.178","","","","","","1.056","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558313","17.6517","0.0004","17.6517","0.0004","36.5175","0.001","90","","90","","90","","11378.2","0.5","250","2","250","2","","","","","","","","5","I 41 c d","I 4bw -2c","110","JL376-17_250K","","","- C36 H29 B F2 N2 -","- C36 H29 B F2 N2 -","- C576 H464 B16 F32 N32 -","16","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.0632","0.0378","","","0.0988","0.1486","","","","","","1.01","","","","has coordinates","258779","2020-11-06","11:30:41",""
"1558314","7.4833","0.0005","14.4445","0.001","19.1563","0.001","111.599","0.003","95.542","0.003","94.737","0.003","1900.6","0.2","200","2","200","2","","","","","","","","6","P -1","-P 1","2","JL363-68_200K","","","- C48 H37 B F2 N2 O2 -","- C48 H37 B F2 N2 O2 -","- C96 H74 B2 F4 N4 O4 -","2","1","","Labella, Jorge; Durán-Sampedro, Gonzalo; Martínez-Díaz, M. Victoria; Torres, Tomás","Annulative π-extension of BODIPYs made easy via gold(i)-catalyzed cycloisomerization","Chemical Science","2020","11","39","10778","10785","10.1039/D0SC01054E","","","0.71073","MoKα","","0.1122","0.0528","","","0.1404","0.1859","","","","","","1.064","","","","has coordinates,has disorder","258779","2020-11-06","11:30:41",""
"1558389","10.206","0.0004","11.8825","0.0005","12.7337","0.0005","90","","90","","90","","1544.25","0.11","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-N-(2-(2-hydroxy-3-phenoxypropyl)phenyl)acetamide","","- C17 H19 N O3 -","- C17 H19 N O3 -","- C68 H76 N4 O12 -","4","1","","Thombal, Raju S.; Feoktistova, Taisiia; González-Montiel, Gisela A.; Cheong, Paul H.-Y.; Lee, Yong Rok","Palladium-catalyzed synthesis of β-hydroxy compounds via a strained 6,4-palladacycle from directed C‒H activation of anilines and C‒O insertion of epoxides","Chemical Science","2020","11","27","7260","7265","10.1039/D0SC01462A","","","0.71073","MoKα","","0.0585","0.0413","","","0.1085","0.1283","","","","","","1.128","","","","has coordinates","257297","2020-10-21","18:00:00",""
"1558392","8.1025","0.0001","6.6401","0.0001","11.7134","0.0001","90","","102.405","0.001","90","","615.485","0.013","93.15","","93.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H12 O4 -","- C14 H12 O4 -","- C28 H24 O8 -","2","1","","Cui, Jin; Kumagai, Naoya; Watanabe, Takumi; Shibasaki, Masakatsu","Direct catalytic asymmetric and anti-selective vinylogous addition of butenolides to chromones","Chemical Science","2020","11","27","7170","7176","10.1039/D0SC01914C","","x-ray","1.54184","CuKα","","0.0273","0.0271","","","0.0706","0.0709","","","","","","1.07","","","","has coordinates","257298","2020-10-21","18:00:00",""
"1558393","12.4535","0.0002","6.5482","0.0001","15.9054","0.0003","90","","105.099","0.002","90","","1252.28","0.04","93.15","","93.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H11 N O6 -","- C14 H11 N O6 -","- C56 H44 N4 O24 -","4","2","","Cui, Jin; Kumagai, Naoya; Watanabe, Takumi; Shibasaki, Masakatsu","Direct catalytic asymmetric and anti-selective vinylogous addition of butenolides to chromones","Chemical Science","2020","11","27","7170","7176","10.1039/D0SC01914C","","x-ray","1.54184","CuKα","","0.0434","0.0375","","","0.0924","0.0942","","","","","","1.058","","","","has coordinates","275856","2022-06-07","07:08:28",""
"1558507","8.6917","0.0002","15.6895","0.0005","17.8706","0.0006","90","","101.494","0.002","90","","2388.11","0.12","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Cl N7 O -","- C24 H26 Cl N7 O -","- C96 H104 Cl4 N28 O4 -","4","1","","Hussain, MD. Waseem; Bhardwaj, Vipin; Giri, Arkaprabha; Chande, Ajit; Patra, Abhijit","Multifunctional ionic porous frameworks for CO2 conversion and combating microbes","Chemical Science","2020","11","30","7910","7920","10.1039/D0SC01658F","","","0.71073","MoKα","","0.1177","0.0677","","","0.1662","0.1939","","","","","","1.069","","","","has coordinates","257374","2020-10-21","18:00:00",""
"1558510","6.0977","0.0004","8.3134","0.0006","18.1062","0.0012","90","","97.792","0.002","90","","909.38","0.11","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 O2 P -","- C22 H21 O2 P -","- C44 H42 O4 P2 -","2","1","","Yang, Zhiping; Gu, Xiaodong; Han, Li-Biao; Wang, Jun (Joelle)","Palladium-catalyzed asymmetric hydrophosphorylation of alkynes: facile access to P-stereogenic phosphinates","Chemical Science","2020","11","28","7451","7455","10.1039/D0SC01049A","","x-ray","0.71073","MoKα","","0.0556","0.0517","","","0.1306","0.1334","","","","","","1.077","","","","has coordinates","257283","2020-10-21","18:00:00",""
"1558536","18.4073","0.0017","13.2209","0.0015","6.2891","0.0006","90","","90","","90","","1530.5","0.3","93","","93","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H16 O2 Te -","- C18 H16 O2 Te -","- C72 H64 O8 Te4 -","4","1","","Nishiyama, Hiroki; Zheng, Feng; Inagi, Shinsuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tomita, Ikuyoshi","Tellurophene-containing π-conjugated polymers with unique heteroatom‒heteroatom interactions by post-element-transformation of an organotitanium polymer","Polymer Chemistry","2020","11","29","4693","4698","10.1039/D0PY00724B","","","0.71075","MoKα","","","0.0472","","","","0.1507","","","","","","1.02","","","","has coordinates","257930","2020-10-21","18:00:00",""
"1558537","9.6046","0.0009","10.539","0.001","19.635","0.002","99.405","0.003","103.196","0.003","102.209","0.004","1843.9","0.3","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H16 Br2 O2 Te -","- C18 H16 Br2 O2 Te -","- C72 H64 Br8 O8 Te4 -","4","2","","Nishiyama, Hiroki; Zheng, Feng; Inagi, Shinsuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tomita, Ikuyoshi","Tellurophene-containing π-conjugated polymers with unique heteroatom‒heteroatom interactions by post-element-transformation of an organotitanium polymer","Polymer Chemistry","2020","11","29","4693","4698","10.1039/D0PY00724B","","","0.71075","MoKα","","","0.1255","","","","0.3573","","","","","","1.887","","","","has coordinates","257930","2020-10-21","18:00:00",""
"1558556","6.3096","0.0006","29.084","0.002","7.5539","0.0008","90","","91.45","0.009","90","","1385.8","0.2","133.15","","133.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N6 O3 -","- C15 H14 N6 O3 -","- C60 H56 N24 O12 -","4","1","","Ismail, Ismail; Chen, Zhuoyue; Sun, Lu; Ji, Xiuru; Ye, Haishun; Kang, Xueying; Huang, Haojie; Song, Haibin; Bolton, Sarah G.; Xi, Zhen; Pluth, Michael D.; Yi, Long","Highly efficient H2S scavengers via thiolysis of positively-charged NBD amines","Chemical Science","2020","11","30","7823","7828","10.1039/D0SC01518K","","x-ray","0.71073","MoKα","","0.0816","0.0615","","","0.1544","0.1686","","","","","","1.13","","","","has coordinates","257375","2020-10-21","18:00:00",""
"1558557","19.9828","0.0007","12.5986","0.0005","14.2705","0.0005","90","","101.853","0.003","90","","3516.1","0.2","133.15","","133.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 I N6 O3 -","- C16 H17 I N6 O3 -","- C128 H136 I8 N48 O24 -","8","2","","Ismail, Ismail; Chen, Zhuoyue; Sun, Lu; Ji, Xiuru; Ye, Haishun; Kang, Xueying; Huang, Haojie; Song, Haibin; Bolton, Sarah G.; Xi, Zhen; Pluth, Michael D.; Yi, Long","Highly efficient H2S scavengers via thiolysis of positively-charged NBD amines","Chemical Science","2020","11","30","7823","7828","10.1039/D0SC01518K","","","0.71073","MoKα","","0.1083","0.1022","","","0.2203","0.2243","","","","","","1.198","","","","has coordinates","257375","2020-10-21","18:00:00",""
"1558587","16.1738","0.0014","11.4534","0.0009","27.691","0.002","90","","96.754","0.002","90","","5094","0.7","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H62 Al2 O6 -","- C46 H62 Al2 O6 -","- C184 H248 Al8 O24 -","4","0.5","","Wang, Zhe; Zhang, Xianhui; Liang, Hongwen; Xian, Mo; Wang, Xiaowu","Binuclear aluminum Lewis acid and its behavior in the polymerization of methyl methacrylate and n-butyl acrylate","Polymer Chemistry","2020","11","34","5526","5533","10.1039/D0PY00572J","","","0.71073","MoKα","","0.1187","0.0729","","","0.2024","0.2252","","","","","","1.034","","","","has coordinates","257952","2020-10-21","18:00:00",""
"1558605","9.8861","0.0008","7.5065","0.0008","12.9438","0.001","90","","94.152","0.007","90","","958.04","0.15","119.99","0.1","119.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cr N2 O4 -","- C20 H24 Cr N2 O4 -","- C40 H48 Cr2 N4 O8 -","2","0.5","","Vinum, Morten Gotthold; Voigt, Laura; Hansen, Steen H.; Bell, Colby; Clark, Kensha Marie; Larsen, René Wugt; Pedersen, Kasper S.","Ligand field-actuated redox-activity of acetylacetonate","Chemical Science","2020","11","31","8267","8272","10.1039/D0SC01836H","","x-ray","0.71073","MoKα","","0.0874","0.0536","","","0.0907","0.1092","","","","","","1.049","","","","has coordinates","257376","2020-10-21","18:00:00",""
"1558606","10.2476","0.0013","4.7011","0.0006","11.3501","0.0015","90","","92.163","0.012","90","","546.4","0.12","120","0.1","120","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H14 Cr O4 -","- C10 H14 Cr O4 -","- C20 H28 Cr2 O8 -","2","0.5","","Vinum, Morten Gotthold; Voigt, Laura; Hansen, Steen H.; Bell, Colby; Clark, Kensha Marie; Larsen, René Wugt; Pedersen, Kasper S.","Ligand field-actuated redox-activity of acetylacetonate","Chemical Science","2020","11","31","8267","8272","10.1039/D0SC01836H","","x-ray","0.71073","MoKα","","0.1098","0.0615","","","0.0948","0.112","","","","","","1.073","","","","has coordinates","257376","2020-10-21","18:00:00",""
"1558607","7.9894","0.0007","8.5405","0.0008","9.4779","0.0009","103.054","0.008","101.71","0.008","92.188","0.007","614.49","0.1","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 Cr N4 O4 -","- C24 H34 Cr N4 O4 -","- C24 H34 Cr N4 O4 -","1","0.5","","Vinum, Morten Gotthold; Voigt, Laura; Hansen, Steen H.; Bell, Colby; Clark, Kensha Marie; Larsen, René Wugt; Pedersen, Kasper S.","Ligand field-actuated redox-activity of acetylacetonate","Chemical Science","2020","11","31","8267","8272","10.1039/D0SC01836H","","x-ray","0.71073","MoKα","","0.0983","0.06","","","0.105","0.1252","","","","","","1.091","","","","has coordinates","257376","2020-10-21","18:00:00",""
"1558608","9.9399","0.001","9.5252","0.0009","12.143","0.001","90","","94.29","0.008","90","","1146.47","0.18","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cr F6 N2 O4 -","- C22 H22 Cr F6 N2 O4 -","- C44 H44 Cr2 F12 N4 O8 -","2","0.5","","Vinum, Morten Gotthold; Voigt, Laura; Hansen, Steen H.; Bell, Colby; Clark, Kensha Marie; Larsen, René Wugt; Pedersen, Kasper S.","Ligand field-actuated redox-activity of acetylacetonate","Chemical Science","2020","11","31","8267","8272","10.1039/D0SC01836H","","x-ray","0.71073","MoKα","","0.0943","0.0631","","","0.1257","0.1433","","","","","","1.046","","","","has coordinates","257376","2020-10-21","18:00:00",""
"1558613","6.29482","0.00014","13.8975","0.0003","11.1692","0.0002","90","","90.663","0.002","90","","977.04","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N O4 -","- C11 H11 N O4 -","- C44 H44 N4 O16 -","4","1","","Birchall, Lee T.; Shehata, Sara; McCarthy, Sean; Shepherd, Helena J.; Clark, Ewan R.; Serpell, Christopher J.; Biagini, Stefano C. G.","Supramolecular behaviour and fluorescence of rhodamine-functionalised ROMP polymers","Polymer Chemistry","2020","11","32","5279","5285","10.1039/D0PY00799D","","x-ray","1.54184","CuKα","","0.0447","0.042","","","0.111","0.1134","","","","","","1.072","","","","has coordinates","257934","2020-10-21","18:00:00",""
"1558614","10.4936","0.0003","12.3484","0.0003","16.1383","0.0004","99.335","0.002","102.497","0.002","112.561","0.002","1814.32","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H42 N4 O5 -","- C41 H46 N4 O5 -","- C82 H92 N8 O10 -","2","1","","Birchall, Lee T.; Shehata, Sara; McCarthy, Sean; Shepherd, Helena J.; Clark, Ewan R.; Serpell, Christopher J.; Biagini, Stefano C. G.","Supramolecular behaviour and fluorescence of rhodamine-functionalised ROMP polymers","Polymer Chemistry","2020","11","32","5279","5285","10.1039/D0PY00799D","","","1.54184","CuKα","","0.0594","0.0512","","","0.147","0.1571","","","","","","1.031","","","","has coordinates,has disorder","257934","2020-10-21","18:00:00",""
"1558615","15.72214","0.00017","19.9433","0.0002","20.9335","0.0003","90","","90","","90","","6563.73","0.13","150","0.3","150","0.3","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C39 H42 N4 O4 -","- C39 H42 N4 O4 -","- C312 H336 N32 O32 -","8","1","","Birchall, Lee T.; Shehata, Sara; McCarthy, Sean; Shepherd, Helena J.; Clark, Ewan R.; Serpell, Christopher J.; Biagini, Stefano C. G.","Supramolecular behaviour and fluorescence of rhodamine-functionalised ROMP polymers","Polymer Chemistry","2020","11","32","5279","5285","10.1039/D0PY00799D","","x-ray","1.54184","CuKα","","0.043","0.0366","","","0.0903","0.0948","","","","","","1.024","","","","has coordinates,has disorder","257934","2020-10-21","18:00:00",""
"1558655","10.747","0.003","11.263","0.003","12.692","0.004","90","","102.758","0.012","90","","1498.4","0.7","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cl2 Rh2 -","- C16 H16 Cl2 Rh2 -","- C64 H64 Cl8 Rh8 -","4","1","","Tang, Tang; Ahumada, Guillermo; Bielawski, Christopher W.","Direct laser writing of poly(phenylene vinylene) on poly(barrelene)","Polymer Chemistry","2020","11","34","5437","5443","10.1039/D0PY00869A","","","1.54187","CuKα","","0.0353","0.033","","","0.0803","0.0812","","","","","","0.969","","","","has coordinates,has disorder","257951","2020-10-21","18:00:00",""
"1558683","5.4118","0.0001","15.0266","0.0002","15.9498","0.0003","91.13","0.001","96.791","0.001","92.639","0.001","1286.17","0.04","170","2","170.01","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H24 N6 Ni O2 -","- C32 H24 N6 Ni O2 -","- C64 H48 N12 Ni2 O4 -","2","1","","Li, Yanqing; Zhang, Hu; Xiao, Ru; Cai, Zhengguo","Bis(N-acylated imidazolin-2-imine) nickel catalyzed norbornene copolymerization with methyl acrylate","Polymer Chemistry","2020","11","34","5542","5547","10.1039/D0PY00857E","","","1.34139","GaKα","","0.042","0.0335","","","0.0809","0.0859","","","","","","1.023","","","","has coordinates","257953","2020-10-21","18:00:00",""
"1558684","6.3174","0.0002","10.7495","0.0003","12.7292","0.0004","74.886","0.002","79.406","0.002","89.242","0.002","819.75","0.04","170","2","170.03","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H44 N6 Ni O2 -","- C40 H44 N6 Ni O2 -","- C40 H44 N6 Ni O2 -","1","0.5","","Li, Yanqing; Zhang, Hu; Xiao, Ru; Cai, Zhengguo","Bis(N-acylated imidazolin-2-imine) nickel catalyzed norbornene copolymerization with methyl acrylate","Polymer Chemistry","2020","11","34","5542","5547","10.1039/D0PY00857E","","","1.34139","GaKα","","0.052","0.0434","","","0.1223","0.1374","","","","","","1.037","","","","has coordinates","257953","2020-10-21","18:00:00",""
"1558685","9.8938","0.0018","19.286","0.003","10.6047","0.0019","90","","116.982","0.013","90","","1803.2","0.6","170","2","169.98","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C44 H32 N6 Ni O2 -","- C44 H32 N6 Ni O2 -","- C88 H64 N12 Ni2 O4 -","2","1","","Li, Yanqing; Zhang, Hu; Xiao, Ru; Cai, Zhengguo","Bis(N-acylated imidazolin-2-imine) nickel catalyzed norbornene copolymerization with methyl acrylate","Polymer Chemistry","2020","11","34","5542","5547","10.1039/D0PY00857E","","","1.34139","GaKα","","0.129","0.0666","","","0.153","0.1858","","","","","","0.921","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1558686","11.1027","0.0002","12.8123","0.0002","16.5909","0.0003","68.334","0.001","89.593","0.001","74.963","0.001","2107.87","0.07","170","2","170.02","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H52 N6 Ni O2 -","- C52 H52 N6 Ni O2 -","- C104 H104 N12 Ni2 O4 -","2","1","","Li, Yanqing; Zhang, Hu; Xiao, Ru; Cai, Zhengguo","Bis(N-acylated imidazolin-2-imine) nickel catalyzed norbornene copolymerization with methyl acrylate","Polymer Chemistry","2020","11","34","5542","5547","10.1039/D0PY00857E","","","1.34139","GaKα","","0.0424","0.0367","","","0.0985","0.1022","","","","","","1.068","","","","has coordinates","257953","2020-10-21","18:00:00",""
"1558792","9.4021","0.0003","13.6517","0.0003","24.7468","0.0006","95.613","0.0014","95.4022","0.0015","91.5873","0.0015","3144.91","0.14","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 N4 O6 -","- C22 H18 N4 O6 -","- C132 H108 N24 O36 -","6","3","","Manes, Taylor A.; Imler, Gregory H.; Sullivan, Kyle T.; Bukovsky, Eric V.","Evaluating the bis-isoxazole core for energetic heterocyclic-based oligomers","Polymer Chemistry","2020","11","38","6149","6156","10.1039/D0PY00875C","","","1.54178","CuKα","","0.0905","0.0524","","","0.1474","0.1668","","","","","","1.033","","","","has coordinates","258994","2020-11-06","13:22:51",""
"1558835","16.5576","0.0006","13.6347","0.0006","35.072","0.0016","90","","90","","90","","7917.8","0.6","173","2","173.15","","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C64 H90 Br6 N14 O10 Zn3 -","- C64 H90 Br6 N14 O10 Zn3 -","- C256 H360 Br24 N56 O40 Zn12 -","4","1","","Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun","Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition","Chemical Science","2020","11","36","9818","9826","10.1039/D0SC01176B","","","0.71073","MoKα","","0.064","0.0539","","","0.1291","0.1386","","","","","","1.043","","","","has coordinates","257401","2020-10-21","18:00:00",""
"1558836","33.1022","0.0015","13.6273","0.0004","16.0057","0.0005","90","","90","","90","","7220.1","0.5","173","2","173.15","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C60 H78 Br6 N10 O10 Zn3 -","- C60 H78 Br6 N10 O10 Zn3 -","- C240 H312 Br24 N40 O40 Zn12 -","4","0.5","","Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun","Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition","Chemical Science","2020","11","36","9818","9826","10.1039/D0SC01176B","","","1.54184","CuKα","","0.0829","0.0661","","","0.1293","0.1365","","","","","","1.158","","","","has coordinates,has disorder","257401","2020-10-21","18:00:00",""
"1558837","15.889","0.002","13.4934","0.0013","33.29","0.008","90","","90","","90","","7137","2","100","0.6","100","0.6","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C50 H62 Br6 N6 O8 Zn3 -","- C50 H62 Br6 N6 O8 Zn3 -","- C200 H248 Br24 N24 O32 Zn12 -","4","1","","Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun","Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition","Chemical Science","2020","11","36","9818","9826","10.1039/D0SC01176B","","x-ray","1.3405","GaKα","","0.1326","0.1125","","","0.2757","0.2923","","","","","","1.088","","","","has coordinates","257401","2020-10-21","18:00:00",""
"1558838","15.659","0.003","13.6267","0.0018","32.01","0.002","90","","90","","90","","6830.3","1.6","99.9","0.6","99.9","0.6","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C56 H74 Br6 N6 O14 Zn3 -","- C56 H74 Br6 N6 O14 Zn3 -","- C224 H296 Br24 N24 O56 Zn12 -","4","1","","Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun","Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition","Chemical Science","2020","11","36","9818","9826","10.1039/D0SC01176B","","x-ray","1.3405","GaKα","","0.1333","0.1275","","","0.2571","0.26","","","","","","1.088","","","","has coordinates","257401","2020-10-21","18:00:00",""
"1558839","15.4998","0.0006","25.3392","0.0011","27.2058","0.0008","90","","90","","90","","10685.1","0.7","173","2","173.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H48 Br6 N8 O6 Zn3 -","- C44 H48 Br6 N8 O6 Zn3 -","- C352 H384 Br48 N64 O48 Zn24 -","8","1","","Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun","Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition","Chemical Science","2020","11","36","9818","9826","10.1039/D0SC01176B","","","0.71073","MoKα","","0.1292","0.0708","","","0.1452","0.1698","","","","","","1.052","","","","has coordinates","257401","2020-10-21","18:00:00",""
"1558840","16.3631","0.0003","13.1544","0.0002","30.779","0.0005","90","","90","","90","","6625.08","0.19","100","0.7","100","0.7","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C56 H74 Br6 N6 O14 Zn3 -","- C56 H74 Br6 N6 O14 Zn3 -","- C224 H296 Br24 N24 O56 Zn12 -","4","1","","Tian, Jiayue; Liu, Luyao; Zhou, Kang; Hong, Zixiao; Chen, Qihui; Jiang, Feilong; Yuan, Daqiang; Sun, Qingfu; Hong, Maochun","Metal‒organic tube or layered assembly: reversible sheet-to-tube transformation and adaptive recognition","Chemical Science","2020","11","36","9818","9826","10.1039/D0SC01176B","","x-ray","1.3405","GaKα","","0.1197","0.1073","","","0.2277","0.2351","","","","","","1.038","","","","has coordinates","257401","2020-10-21","18:00:00",""
"1558896","17.9616","0.0007","7.6761","0.0003","21.5205","0.0009","90","","90","","90","","2967.1","0.2","110","2","109.99","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H20 O2 -","- C18 H20 O2 -","- C144 H160 O16 -","8","2","","Shahni, Rahul K.; Mabin, Micah; Wang, Zhihan; Shaik, Muneer; Ugrinov, Angel; Chu, Qianli R.","Synthesis and characterization of BPA-free polyesters by incorporating a semi-rigid cyclobutanediol monomer","Polymer Chemistry","2020","11","37","6081","6090","10.1039/D0PY01098G","","","1.54178","CuKα","","0.0825","0.0782","","","0.204","0.2071","","","","","","1.082","","","","has coordinates","273808","2022-03-18","10:32:16",""
"1558929","12.6795","0.0003","19.6724","0.0004","21.4947","0.0004","90","","97.371","0.001","90","","5317.25","0.19","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C51 H43 B F24 N Ni O P -","- C51 H43 B F24 N Ni O P -","- C204 H172 B4 F96 N4 Ni4 O4 P4 -","4","1","","Cui, Lei; Jian, Zhongbao","A N-bridged strategy enables hemilabile phosphine‒carbonyl palladium and nickel catalysts to mediate ethylene polymerization and copolymerization with polar vinyl monomers","Polymer Chemistry","2020","11","38","6187","6193","10.1039/D0PY01106A","","","1.54178","CuKα","","0.0632","0.0553","","","0.1392","0.1475","","","","","","1.003","","","","has coordinates,has disorder","258993","2020-11-06","13:22:37",""
"1558930","8.633","0.0004","10.4214","0.0005","16.3267","0.0008","78.073","0.001","86.924","0.001","70.447","0.001","1354.1","0.11","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H25 Cl N O3 P Pd -","- C23 H25 Cl N O3 P Pd -","- C46 H50 Cl2 N2 O6 P2 Pd2 -","2","1","","Cui, Lei; Jian, Zhongbao","A N-bridged strategy enables hemilabile phosphine‒carbonyl palladium and nickel catalysts to mediate ethylene polymerization and copolymerization with polar vinyl monomers","Polymer Chemistry","2020","11","38","6187","6193","10.1039/D0PY01106A","","","0.71073","MoKα","","0.0441","0.0408","","","0.1023","0.105","","","","","","0.996","","","","has coordinates","258993","2020-11-06","13:22:37",""
"1558937","15.87","0.015","5.876","0.003","9.159","0.005","90","","99.55","0.02","90","","842.3","1","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C12 H22 Ca O14 -","- C12 H22 Ca O14 -","- C24 H44 Ca2 O28 -","2","0.5","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","","0.71073","MoKα","","0.1997","0.1313","","","0.2838","0.3286","","","","","","1.136","","","","has coordinates","258992","2020-11-06","13:22:21",""
"1558938","17.8169","0.0005","14.6327","0.0004","17.7916","0.0005","90","","93.5001","0.0014","90","","4629.8","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H64 Cl2 N4 Rh2 Si2 -","- C43 H64 Cl2 N4 Rh2 Si2 -","- C172 H256 Cl8 N16 Rh8 Si8 -","4","0.5","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","","0.71073","MoKα","","0.0234","0.0213","","","0.0527","0.0535","","","","","","1.047","","","","has coordinates,has disorder","258992","2020-11-06","13:22:21",""
"1558939","7.1992","0.0005","9.338","0.0006","15.7215","0.0011","89.392","0.003","81.1228","0.0019","75.73","0.002","1011.6","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H31 B Cl N2 Rh Si -","- C18 H31 B Cl N2 Rh Si -","- C36 H62 B2 Cl2 N4 Rh2 Si2 -","2","1","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","","0.71073","MoKα","","0.0498","0.0425","","","0.0833","0.0856","","","","","","1.129","","","","has coordinates","258992","2020-11-06","13:22:21",""
"1558940","15.2108","0.0001","24.5048","0.0002","9.7034","0.0001","90","","90","","90","","3616.82","0.05","150","2","150.01","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C37 H58 N O2 Sc Si -","- C37 H58 N O2 Sc Si -","- C148 H232 N4 O8 Sc4 Si4 -","4","1","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","x-ray","1.54184","CuKα","","0.0546","0.0522","","","0.14","0.1432","","","","","","1.044","","","","has coordinates,has disorder","258992","2020-11-06","13:22:21",""
"1558941","13.0882","0.0002","14.3825","0.0002","14.3203","0.0002","90","","104.34","0.001","90","","2611.68","0.07","150","2","150.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H41 Al Cl N O Si -","- C25 H41 Al Cl N O Si -","- C100 H164 Al4 Cl4 N4 O4 Si4 -","4","1","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","x-ray","1.54184","CuKα","","0.0502","0.0462","","","0.1285","0.1322","","","","","","1.029","","","","has coordinates","258992","2020-11-06","13:22:21",""
"1558942","11.597","0.0001","16.9523","0.0002","18.292","0.0002","90","","103.407","0.001","90","","3498.13","0.07","150","2","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H56 N O2 Sc Si -","- C36 H56 N O2 Sc Si -","- C144 H224 N4 O8 Sc4 Si4 -","4","1","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","x-ray","1.54184","CuKα","","0.0367","0.0338","","","0.0945","0.097","","","","","","1.063","","","","has coordinates","258992","2020-11-06","13:22:21",""
"1558943","14.9848","0.0009","15.2025","0.0003","17.316","0.0004","89.817","0.002","84.546","0.003","78.504","0.003","3847.6","0.3","150","2","150","0.16","","","","","","","","6","P -1","-P 1","2","","","","- C39 H62 Al N O2 Si -","- C39 H62 Al N O2 Si -","- C156 H248 Al4 N4 O8 Si4 -","4","2","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","x-ray","1.54184","CuKα","","0.0998","0.077","","","0.1645","0.1778","","","","","","1.079","","","","has coordinates,has disorder","258992","2020-11-06","13:22:21",""
"1558944","10.2397","0.0004","10.9358","0.0004","12.4015","0.0004","89.006","0.003","85.166","0.003","67.359","0.004","1276.96","0.09","150","2","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C25 H41 Cl N O Sc Si -","- C25 H41 Cl N O Sc Si -","- C50 H82 Cl2 N2 O2 Sc2 Si2 -","2","1","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","x-ray","1.54184","CuKα","","0.0353","0.0337","","","0.091","0.0924","","","","","","1.042","","","","has coordinates","258992","2020-11-06","13:22:21",""
"1558945","23.7263","0.0004","10.4153","0.0002","21.6239","0.0003","90","","106.991","0.002","90","","5110.38","0.16","150","2","150.01","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H74 Cl2 N2 O2 Sc2 Si2 -","- C54 H74 Cl2 N2 O2 Sc2 Si2 -","- C216 H296 Cl8 N8 O8 Sc8 Si8 -","4","0.5","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","x-ray","1.54184","CuKα","","0.0352","0.0327","","","0.0923","0.0945","","","","","","1.065","","","","has coordinates","258992","2020-11-06","13:22:21",""
"1558946","9.115","0.0005","11.4654","0.0005","18.1231","0.001","75.161","0.004","84.213","0.004","69.169","0.004","1711.05","0.16","150","2","150","0.16","","","","","","","","6","P -1","-P 1","2","","","","- C33 H50 Al N O2 Si -","- C33 H50 Al N O2 Si -","- C66 H100 Al2 N2 O4 Si2 -","2","1","","Diteepeng, Nichabhat; Wilson, Isobel A. P.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","l- and rac-lactide polymerisation using scandium and aluminium permethylindenyl complexes","Polymer Chemistry","2020","11","39","6308","6318","10.1039/D0PY00980F","","x-ray","1.54184","CuKα","","0.0726","0.0523","","","0.1311","0.148","","","","","","0.977","","","","has coordinates","258992","2020-11-06","13:22:21",""
"1558963","7.6121","0.0006","27.2894","0.0018","8.5005","0.0005","90","","107.255","0.008","90","","1686.3","0.2","200","","200","","","","","","","","","4","P 1 21 1","P 2yb","4","","MePhImCH(CHCH2)PhIm","","- C20 H14 N2 O4 -","- C20 H14 N2 O4 -","- C80 H56 N8 O16 -","4","2","","Kanbayashi, Naoya; Saegusa, Marina; Ishido, Yuki; Okamura, Taka-aki; Onitsuka, Kiyotaka","Synthesis of an optically active polymer containing a planar phthalimide backbone by asymmetric polymerization","Polymer Chemistry","2020","11","39","6241","6250","10.1039/D0PY01073A","","x-ray","0.71075","MoKα","","0.108","0.0567","","","0.0958","0.111","","","","","","1.032","","","","has coordinates","258991","2020-11-06","13:21:54",""
"1559081","11.3797","0.001","8.082","0.0004","28.058","0.002","90","","99.811","0.006","90","","2542.8","0.3","295","1","295","1","","","","","","","","3","P 1 21 1","P 2yb","4","","(25R)-5α-Spirostan-3β,5-diol","","- C27 H45 O4.5 -","- C27 H45 O4.5 -","- C108 H180 O18 -","4","2","","Hilario-Martínez, J. Ciciolil; Murillo, Fernando; García-Méndez, Jair; Dzib, Eugenia; Sandoval-Ramírez, Jesús; Muñoz-Hernández, Miguel Ángel; Bernès, Sylvain; Kürti, László; Duarte, Fernanda; Merino, Gabriel; Fernández-Herrera, María A.","trans-Hydroboration‒oxidation products in Δ5-steroids via a hydroboration-retro-hydroboration mechanism","Chemical Science","2020","11","47","12764","12768","10.1039/D0SC01701A","","x-ray","0.56083","AgKα","","0.1376","0.041","","","0.0571","0.0698","","","","","","0.602","","","","has coordinates","260727","2021-01-07","05:35:31",""
"1559082","8.3599","0.0003","10.7489","0.0004","28.4769","0.0014","90","","90","","90","","2558.93","0.18","295","1","295","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","5α-Cholestane-3β,6β-diol","","- C27 H48 O2 -","- C27 H48 O2 -","- C108 H192 O8 -","4","1","","Hilario-Martínez, J. Ciciolil; Murillo, Fernando; García-Méndez, Jair; Dzib, Eugenia; Sandoval-Ramírez, Jesús; Muñoz-Hernández, Miguel Ángel; Bernès, Sylvain; Kürti, László; Duarte, Fernanda; Merino, Gabriel; Fernández-Herrera, María A.","trans-Hydroboration‒oxidation products in Δ5-steroids via a hydroboration-retro-hydroboration mechanism","Chemical Science","2020","11","47","12764","12768","10.1039/D0SC01701A","","x-ray","0.56083","AgKα","","0.0987","0.043","","","0.0862","0.0977","","","","","","0.767","","","","has coordinates,has disorder","260727","2021-01-07","05:35:32",""
"1559083","8.1858","0.0003","10.4115","0.0006","30.9258","0.0012","90","","90","","90","","2635.7","0.2","295","1","295","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","5β-Cholestane-3β,6β-diol","","- C27 H47 D O2 -","- C27 H47 D O2 -","- C108 H188 D4 O8 -","4","1","","Hilario-Martínez, J. Ciciolil; Murillo, Fernando; García-Méndez, Jair; Dzib, Eugenia; Sandoval-Ramírez, Jesús; Muñoz-Hernández, Miguel Ángel; Bernès, Sylvain; Kürti, László; Duarte, Fernanda; Merino, Gabriel; Fernández-Herrera, María A.","trans-Hydroboration‒oxidation products in Δ5-steroids via a hydroboration-retro-hydroboration mechanism","Chemical Science","2020","11","47","12764","12768","10.1039/D0SC01701A","","x-ray","0.56083","AgKα","","0.1241","0.0493","","","0.1181","0.1381","","","","","","0.811","","","","has coordinates,has disorder","260727","2021-01-07","05:35:32",""
"1559084","8.2099","0.0002","9.1989","0.0003","32.4182","0.0014","90","","90","","90","","2448.29","0.15","295","1","295","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(25R)-5β-Spirostan-3β,6β-diol","","- C27 H44 O4 -","- C27 H44 O4 -","- C108 H176 O16 -","4","1","","Hilario-Martínez, J. Ciciolil; Murillo, Fernando; García-Méndez, Jair; Dzib, Eugenia; Sandoval-Ramírez, Jesús; Muñoz-Hernández, Miguel Ángel; Bernès, Sylvain; Kürti, László; Duarte, Fernanda; Merino, Gabriel; Fernández-Herrera, María A.","trans-Hydroboration‒oxidation products in Δ5-steroids via a hydroboration-retro-hydroboration mechanism","Chemical Science","2020","11","47","12764","12768","10.1039/D0SC01701A","","x-ray","0.56083","AgKα","","0.0681","0.0391","","","0.0768","0.083","","","","","","0.863","","","","has coordinates","260727","2021-01-07","05:35:32",""
"1559176","14.2611","0.0007","37.3119","0.0018","14.5988","0.0007","90","","115.426","0.001","90","","7015.7","0.6","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H55 B2 F8 N11 Rh2 -","- C68 H55 B2 F8 N11 Rh2 -","- C272 H220 B8 F32 N44 Rh8 -","4","1","","Huang, Jie; Gallucci, Judith C.; Turro, Claudia","Panchromatic dirhodium photocatalysts for dihydrogen generation with red light","Chemical Science","2020","11","36","9775","9783","10.1039/D0SC03114C","","x-ray","0.71073","MoKα","","0.0628","0.0564","","","0.1113","0.1135","","","","","","1.283","","","","has coordinates","256693","2020-10-21","18:00:00",""
"1559207","11.2778","0.0004","22.0014","0.0007","17.4636","0.0005","90","","99.651","0.002","90","","4271.9","0.2","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H40 Br2 N2 Ni -","- C46 H40 Br2 N2 Ni -","- C184 H160 Br8 N8 Ni4 -","4","1","","Wang, Xiaohua; Dong, Bo; Yang, Qi; Liu, Heng; Zhang, Chunyu; Zhang, Xuequan","α-Diimine nickel complexes bearing axially bulky terphenyl and equatorially bulky dibenzobarrelene groups: synthesis, characterization and olefin polymerization studies","Polymer Chemistry","2020","11","42","6783","6793","10.1039/D0PY01152E","","","1.54178","CuKα","","0.0674","0.0559","","","0.1924","0.207","","","","","","0.909","","","","has coordinates","258990","2020-11-06","13:21:44",""
"1559208","14.785","0.002","18.646","0.003","17.519","0.002","90","","107.516","0.003","90","","4605.7","1.1","192","2","192","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H24 Br2 F12 N2 Ni -","- C44 H24 Br2 F12 N2 Ni -","- C176 H96 Br8 F48 N8 Ni4 -","4","1","","Wang, Xiaohua; Dong, Bo; Yang, Qi; Liu, Heng; Zhang, Chunyu; Zhang, Xuequan","α-Diimine nickel complexes bearing axially bulky terphenyl and equatorially bulky dibenzobarrelene groups: synthesis, characterization and olefin polymerization studies","Polymer Chemistry","2020","11","42","6783","6793","10.1039/D0PY01152E","","","0.71073","MoKα","","0.1138","0.0729","","","0.1956","0.2168","","","","","","1.027","","","","has coordinates","258990","2020-11-06","13:21:45",""
"1559292","6.3429","0.0009","6.9256","0.0011","13.53","0.002","90","","99.769","0.012","90","","585.73","0.15","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H7 N O3 -","- C5 H7 N O3 -","- C20 H28 N4 O12 -","4","1","","Muhl, Christian; Zengerling, Lydia; Groß, Jonathan; Eckhardt, Paul; Opatz, Till; Besenius, Pol; Barz, Matthias","Insight into the synthesis of N-methylated polypeptides","Polymer Chemistry","2020","11","43","6919","6927","10.1039/D0PY01055C","","","0.71073","MoKα","","0.175","0.117","","","0.2821","0.3278","","","","","","1.145","","","","has coordinates","259626","2020-12-06","14:54:23",""
"1559293","7.9782","0.001","5.9102","0.0005","9.3714","0.0013","90","","100.168","0.011","90","","434.95","0.09","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H11 N O3 S -","- C7 H11 N O3 S -","- C14 H22 N2 O6 S2 -","2","1","","Muhl, Christian; Zengerling, Lydia; Groß, Jonathan; Eckhardt, Paul; Opatz, Till; Besenius, Pol; Barz, Matthias","Insight into the synthesis of N-methylated polypeptides","Polymer Chemistry","2020","11","43","6919","6927","10.1039/D0PY01055C","","","0.71073","MoKα","","0.0991","0.0756","","","0.1762","0.1951","","","","","","1.058","","","","has coordinates","259626","2020-12-06","14:54:23",""
"1559341","9.2468","0.0004","15.2962","0.0005","6.6028","0.0002","90","","95.037","0.001","90","","930.3","0.06","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 O4 -","- C11 H10 O4 -","- C44 H40 O16 -","4","1","","Nifant'ev, Ilya E.; Shlyakhtin, Andrey V.; Bagrov, Vladimir V.; Tavtorkin, Alexander N.; Komarov, Pavel D.; Churakov, Andrei V.; Ivchenko, Pavel V.","Substituted glycolides from natural sources: preparation, alcoholysis and polymerization","Polymer Chemistry","2020","11","43","6890","6902","10.1039/D0PY01297A","","","0.71073","MoKα","","0.0497","0.0408","","","0.0889","0.0932","","","","","","1.061","","","","has coordinates","259627","2020-12-06","14:54:29",""
"1559556","13.346","0.002","17.309","0.003","23.753","0.004","86.026","0.002","89.28","0.002","76.624","0.002","5325.4","1.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H156 O28 Si14 Zr2 -","- C68 H156 O28 Si14 Zr2 -","- C136 H312 O56 Si28 Zr4 -","2","1","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Zirconium and hafnium polyhedral oligosilsesquioxane complexes ‒ green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade","Catalysis Science & Technology","2021","11","1","211","218","10.1039/D0CY01864C","","","0.71073","MoKα","","0.063","0.0457","","","0.1013","0.1101","","","","","","1.114","","","","has coordinates,has disorder","261516","2021-02-04","22:23:11",""
"1559557","20.0054","0.0014","24.0516","0.0017","27.5739","0.0019","90","","90","","90","","13267.5","1.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C96 H184 O28 Si14 Zr2 -","- C96 H184 O28 Si14 Zr2 -","- C384 H736 O112 Si56 Zr8 -","4","0.5","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Zirconium and hafnium polyhedral oligosilsesquioxane complexes ‒ green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade","Catalysis Science & Technology","2021","11","1","211","218","10.1039/D0CY01864C","","","0.71073","MoKα","","0.0536","0.0345","","","0.0775","0.0878","","","","","","1.022","","","","has coordinates,has disorder","261516","2021-02-04","22:23:11",""
"1559558","18.563","0.004","22.017","0.004","26.445","0.005","90","","90","","90","","10808","4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C68 H156 Hf2 O28 Si14 -","- C68 H156 Hf2 O28 Si14 -","- C272 H624 Hf8 O112 Si56 -","4","0.5","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Zirconium and hafnium polyhedral oligosilsesquioxane complexes ‒ green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade","Catalysis Science & Technology","2021","11","1","211","218","10.1039/D0CY01864C","","","0.71073","MoKα","","0.1111","0.0503","","","0.107","0.1295","","","","","","0.999","","","","has coordinates,has disorder","261516","2021-02-04","22:23:11",""
"1559559","20.061","0.004","24.064","0.005","27.568","0.005","90","","90","","90","","13308","5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C96 H184 Hf2 O28 Si14 -","- C96 H184 Hf2 O28 Si14 -","- C384 H736 Hf8 O112 Si56 -","4","0.5","","Garg, Shipra; Unruh, Daniel K.; Krempner, Clemens","Zirconium and hafnium polyhedral oligosilsesquioxane complexes ‒ green homogeneous catalysts in the formation of bio-derived ethers via a MPV/etherification reaction cascade","Catalysis Science & Technology","2021","11","1","211","218","10.1039/D0CY01864C","","","0.71073","MoKα","","0.0341","0.0243","","","0.0558","0.0617","","","","","","1.066","","","","has coordinates,has disorder","261516","2021-02-04","22:23:11",""
"1559560","13.4214","0.0003","14.2596","0.0005","25.2549","0.0007","85.709","0.003","78.946","0.002","69.251","0.003","4435.9","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C86 H109 N9 Na2 O11 V2 -","- C86 H109 N9 Na2 O11 V2 -","- C172 H218 N18 Na4 O22 V4 -","2","1","","Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl","Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization","Catalysis Science & Technology","2021","11","2","624","636","10.1039/D0CY01979H","","","0.71073","MoKα","","0.1354","0.0988","","","0.216","0.2326","","","","","","1.127","","","","has coordinates,has disorder","261518","2021-02-04","22:23:49",""
"1559561","12.0966","0.0002","12.3373","0.0002","17.8971","0.0003","90.8728","0.0008","107.997","0.0007","99.2458","0.0008","2501.28","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H120 N8 O8 V2 -","- C104 H120 N8 O8 V2 -","- C104 H120 N8 O8 V2 -","1","0.5","","Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl","Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization","Catalysis Science & Technology","2021","11","2","624","636","10.1039/D0CY01979H","","","0.6939","synchrotron","","0.0853","0.0589","","","0.1637","0.1852","","","","","","1.033","","","","has coordinates,has disorder","261518","2021-02-04","22:23:50",""
"1559562","19.7039","0.0009","20.0862","0.0007","20.6921","0.001","90","","113.114","0.005","90","","7532","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C80 H90 Cl2 N2 O8 V2 -","- C80 H90 Cl2 N2 O8 V2 -","- C320 H360 Cl8 N8 O32 V8 -","4","1","","Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl","Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization","Catalysis Science & Technology","2021","11","2","624","636","10.1039/D0CY01979H","","","1.54184","CuKα","","0.1995","0.085","","","0.1975","0.2471","","","","","","1.016","","","","has coordinates,has disorder","261518","2021-02-04","22:23:50",""
"1559563","14.0354","0.0001","17.3396","0.0001","20.1906","0.0001","71.168","0.001","84.459","0.001","66.456","0.001","4260.59","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C178 H213 N11 O20 V4 -","- C178 H213 N11 O20 V4 -","- C178 H213 N11 O20 V4 -","1","0.5","","Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl","Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization","Catalysis Science & Technology","2021","11","2","624","636","10.1039/D0CY01979H","","","1.54178","CuKα","","0.053","0.0494","","","0.1442","0.1501","","","","","","1.044","","","","has coordinates,has disorder","261518","2021-02-04","22:23:50",""
"1559564","12.4983","0.0004","13.6976","0.0002","14.1554","0.0003","68.166","0.002","79.128","0.002","75.546","0.002","2165.92","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C86 H114 N6 O16 V4 -","- C86 H114 N6 O16 V4 -","- C86 H114 N6 O16 V4 -","1","0.5","","Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl","Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization","Catalysis Science & Technology","2021","11","2","624","636","10.1039/D0CY01979H","","","1.54178","CuKα","","0.0421","0.0407","","","0.1308","0.1319","","","","","","1.116","","","","has coordinates","261518","2021-02-04","22:23:50",""
"1559565","20.0005","0.0013","19.9315","0.0008","22.023","0.002","90","","116.08","0.01","90","","7885.4","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C82 H90 F6 N2 O8 V2 -","- C82 H90 F6 N2 O8 V2 -","- C328 H360 F24 N8 O32 V8 -","4","1","","Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl","Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization","Catalysis Science & Technology","2021","11","2","624","636","10.1039/D0CY01979H","","","0.71075","MoKα","","0.1928","0.0964","","","0.2235","0.2734","","","","","","1.023","","","","has coordinates,has disorder","261518","2021-02-04","22:23:50",""
"1559566","19.7899","0.0003","20.6775","0.0003","22.7696","0.0005","69.271","0.002","76.567","0.002","78.627","0.001","8407.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C355 H421 Cl2 N21 O32 V8 -","- C355 H421 Cl2 N21 O32 V8 -","- C355 H421 Cl2 N21 O32 V8 -","1","0.5","","Xing, Tian; Prior, Timothy J.; Elsegood, Mark R. J.; Semikolenova, Nina V.; Soshnikov, Igor E.; Bryliakov, Konstantin; Chen, Kai; Redshaw, Carl","Vanadium complexes derived from oxacalix[6]arenes: structural studies and use in the ring opening homo-/co-polymerization of ε-caprolactone/δ-valerolactone and ethylene polymerization","Catalysis Science & Technology","2021","11","2","624","636","10.1039/D0CY01979H","","","0.71073","MoKα","","0.1417","0.0881","","","0.223","0.2564","","","","","","1.026","","","","has coordinates,has disorder","261518","2021-02-04","22:23:50",""
"1559567","11.8773","0.0006","12.8721","0.0005","14.5308","0.0006","97.115","0.003","92.063","0.004","98.641","0.004","2176.04","0.17","170","0.1","170","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C49 H38 Cl2 Co F5 N3 -","- C49 H38 Cl2 Co F5 N3 -","- C98 H76 Cl4 Co2 F10 N6 -","2","1","","Zhang, Qiuyue; Li, Zilong; Han, Mingyang; Xiang, Junfeng; Solan, Gregory A.; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Fluorinated cobalt catalysts and their use in forming narrowly dispersed polyethylene waxes of high linearity and incorporating vinyl functionality","Catalysis Science & Technology","2021","11","2","656","670","10.1039/D0CY01917H","","x-ray","0.71073","MoKα","","0.1013","0.0515","","","0.1174","0.1438","","","","","","1.021","","","","has coordinates","261519","2021-02-04","22:24:06",""
"1559568","20.2887","0.0002","22.5854","0.0002","30.0093","0.0002","94.052","0.001","105.348","0.001","102.898","0.001","12802.4","0.2","169.99","0.14","169.99","0.14","","","","","","","","6","P -1","-P 1","2","","","","- C260 H220 Cl10 Co5 F25 N15 -","- C260 H220 Cl10 Co5 F25 N15 -","- C520 H440 Cl20 Co10 F50 N30 -","2","1","","Zhang, Qiuyue; Li, Zilong; Han, Mingyang; Xiang, Junfeng; Solan, Gregory A.; Ma, Yanping; Liang, Tongling; Sun, Wen-Hua","Fluorinated cobalt catalysts and their use in forming narrowly dispersed polyethylene waxes of high linearity and incorporating vinyl functionality","Catalysis Science & Technology","2021","11","2","656","670","10.1039/D0CY01917H","","x-ray","1.54184","CuKα","","0.1415","0.0862","","","0.2048","0.2442","","","","","","1.037","","","","has coordinates,has disorder","261519","2021-02-04","22:24:06",""
"1559569","12.4888","0.0001","16.9952","0.0002","19.3546","0.0002","69.171","0.001","75.05","0.001","81.715","0.001","3703.33","0.07","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C75 H60 B Cl2 F24 N3 Pd -","- C75 H60 B Cl2 F24 N3 Pd -","- C150 H120 B2 Cl4 F48 N6 Pd2 -","2","1","","Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang","Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization","Catalysis Science & Technology","2021","11","1","124","135","10.1039/D0CY01617A","","x-ray","1.54184","CuKα","","0.0508","0.0501","","","0.1295","0.1302","","","","","","1.025","","","","has coordinates,has disorder","261517","2021-02-04","22:23:27",""
"1559570","12.8172","0.0002","18.0795","0.0003","16.7528","0.0003","90","","96.977","0.001","90","","3853.36","0.11","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H45 Br2 Cl N2 Pd -","- C41 H45 Br2 Cl N2 Pd -","- C164 H180 Br8 Cl4 N8 Pd4 -","4","1","","Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang","Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization","Catalysis Science & Technology","2021","11","1","124","135","10.1039/D0CY01617A","","x-ray","1.54184","CuKα","","0.0594","0.0532","","","0.1458","0.1538","","","","","","1.036","","","","has coordinates,has disorder","261517","2021-02-04","22:23:27",""
"1559571","11.7251","0.0004","18.4561","0.0006","19.821","0.0006","90","","101.805","0.003","90","","4198.5","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H53 Cl3 N2 O2 Pd -","- C44 H53 Cl3 N2 O2 Pd -","- C176 H212 Cl12 N8 O8 Pd4 -","4","1","","Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang","Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization","Catalysis Science & Technology","2021","11","1","124","135","10.1039/D0CY01617A","","x-ray","0.71073","MoKα","","0.076","0.0631","","","0.1557","0.1636","","","","","","1.117","","","","has coordinates","261517","2021-02-04","22:23:27",""
"1559572","11.0716","0.0004","16.373","0.0006","21.6279","0.0007","89.42","0.003","76.403","0.003","88.652","0.003","3809.6","0.2","150.01","0.1","150.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C41 H45 Cl3 N2 Pd -","- C41 H45 Cl3 N2 Pd -","- C164 H180 Cl12 N8 Pd4 -","4","2","","Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang","Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization","Catalysis Science & Technology","2021","11","1","124","135","10.1039/D0CY01617A","","x-ray","1.54184","CuKα","","0.08","0.0688","","","0.1742","0.182","","","","","","1.108","","","","has coordinates,has disorder","261517","2021-02-04","22:23:27",""
"1559573","13.006","0.0004","16.863","0.0005","19.2164","0.0006","98.154","0.002","96.07","0.002","99.498","0.002","4078.6","0.2","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C78 H67 B F24 I2 N3 Pd -","- C78 H67 B F24 I2 N3 Pd -","- C156 H134 B2 F48 I4 N6 Pd2 -","2","1","","Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang","Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization","Catalysis Science & Technology","2021","11","1","124","135","10.1039/D0CY01617A","","x-ray","1.54184","CuKα","","0.0727","0.0635","","","0.1706","0.1843","","","","","","1.036","","","","has coordinates,has disorder","261517","2021-02-04","22:23:27",""
"1559574","14.4315","0.0006","16.2211","0.0006","18.6665","0.0008","109.704","0.004","107.844","0.004","95.369","0.003","3820.3","0.3","150","0.1","150","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C77.25 H66.5 B Cl0.5 F24 N3 O2 Pd -","- C77.25 H66.5 B Cl0.5 F24 N3 O2 Pd -","- C154.5 H133 B2 Cl F48 N6 O4 Pd2 -","2","1","","Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang","Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization","Catalysis Science & Technology","2021","11","1","124","135","10.1039/D0CY01617A","","x-ray","1.54184","CuKα","","0.0973","0.0767","","","0.2011","0.2201","","","","","","1.074","","","","has coordinates,has disorder","261517","2021-02-04","22:23:27",""
"1559575","10.0308","0.0002","19.7307","0.0004","20.2309","0.0004","90","","101.055","0.002","90","","3929.69","0.14","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H45 Cl I2 N2 Pd -","- C41 H45 Cl I2 N2 Pd -","- C164 H180 Cl4 I8 N8 Pd4 -","4","1","","Zheng, Handou; Zhong, Liu; Du, Cheng; Du, Wenbo; Cheung, Chi Shing; Ruan, Jingjing; Gao, Haiyang","Combining hydrogen bonding interactions with steric and electronic modifications for thermally robust α-diimine palladium catalysts toward ethylene (co)polymerization","Catalysis Science & Technology","2021","11","1","124","135","10.1039/D0CY01617A","","x-ray","0.71073","MoKα","","0.0638","0.0447","","","0.0927","0.1004","","","","","","1.056","","","","has coordinates,has disorder","261517","2021-02-04","22:23:27",""
"1559620","12.394","0.0009","14.5843","0.0005","19.472","0.0007","90","","107.233","0.004","90","","3361.7","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.78229","Synchrotron","","0.1727","0.0779","","","0.1738","0.2467","","","","","","1.052","","","","has coordinates,has disorder","259338","2020-11-30","02:04:43",""
"1559621","12.2772","0.0005","14.5882","0.0006","36.9888","0.0015","90","","91.924","0.007","90","","6621","0.5","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","4","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.0736","0.0601","","","0.1619","0.1709","","","","","","1.071","","","","has coordinates,has disorder","259338","2020-11-30","02:04:44",""
"1559622","12.3036","0.0005","14.6207","0.0006","19.2792","0.0008","90","","106.497","0.008","90","","3325.3","0.3","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.0605","0.0584","","","0.1591","0.1616","","","","","","1.046","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559623","12.131","0.011","14.308","0.012","36.28","0.03","90","","91.678","0.007","90","","6294","9","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","4","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4146","synchrotron","","0.1721","0.0777","","","0.2186","0.2743","","","","","","0.996","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559624","12.1827","0.0003","14.5714","0.0003","36.9401","0.0009","90","","91.847","0.007","90","","6554.2","0.3","20","2","20","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","4","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.0376","0.0363","","","0.0896","0.0905","","","","","","1.017","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559625","12.1462","0.0004","14.4267","0.0005","37.4462","0.0013","90","","90","","90","","6561.7","0.4","20","2","20","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.066","0.0567","","","0.1358","0.1424","","","","","","1.052","","","","has coordinates","259338","2020-11-30","02:04:45",""
"1559626","12.3769","0.0005","14.622","0.0006","19.3798","0.0008","90","","106.751","0.007","90","","3358.4","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4146","synchrotron","","0.0561","0.0516","","","0.1397","0.1447","","","","","","1.066","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559627","12.457","0.003","14.737","0.003","19.461","0.004","90","","107.079","0.008","90","","3415.1","1.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4146","synchrotron","","0.0798","0.0597","","","0.1591","0.1726","","","","","","1.049","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559628","13.253","0.003","13.253","0.003","19.0733","0.0018","90","","90","","90","","3350.1","1.1","173","2","173","2","","","","","","","","6","P 43","P 4cw","78","","","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","1","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4268","synchrotron","","0.0956","0.0889","","","0.27","0.2797","","","","","","1.102","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559629","12.366","0.0005","14.6509","0.0006","19.3318","0.0009","90","","106.695","0.008","90","","3354.8","0.3","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.0682","0.0642","","","0.1909","0.1956","","","","","","1.065","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559630","12.3394","0.0016","14.4779","0.0018","37.612","0.005","90","","90","","90","","6719.3","1.5","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.1438","0.0813","","","0.1947","0.2292","","","","","","1.026","","","","has coordinates","259338","2020-11-30","02:04:45",""
"1559631","12.3376","0.0006","14.6395","0.0007","19.3056","0.001","90","","106.583","0.008","90","","3341.9","0.3","140","2","140","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.0614","0.0588","","","0.1682","0.1712","","","","","","1.051","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559632","12.301","0.0009","14.4564","0.001","37.499","0.003","90","","90","","90","","6668.4","0.9","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.1441","0.09","","","0.2276","0.2656","","","","","","1.035","","","","has coordinates","259338","2020-11-30","02:04:45",""
"1559633","12.2172","0.0003","14.5659","0.0004","36.9576","0.001","90","","91.839","0.007","90","","6573.4","0.3","60","2","60","2","","","","","","","","6","P 1 21 1","P 2yb","4","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","4","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.0508","0.0482","","","0.1188","0.1208","","","","","","1.018","","","","has coordinates,has disorder","259338","2020-11-30","02:04:45",""
"1559634","12.2859","0.0008","14.4505","0.0009","37.464","0.002","90","","90","","90","","6651.3","0.7","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","1,2-Bis(2-methyl-5-{[((R)-1-phenylethyl)amino]carbonyl}thien-3-yl)perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C264 H224 F48 N16 O16 S16 -","8","2","","Fujimoto, Ayako; Fujinaga, Noriko; Nishimura, Ryo; Hatano, Eri; Kono, Luna; Nagai, Akira; Sekine, Akiko; Hattori, Yohei; Kojima, Yuko; Yasuda, Nobuhiro; Morimoto, Masakazu; Yokojima, Satoshi; Nakamura, Shinichiro; Feringa, Ben L.; Uchida, Kingo","Photoinduced swing of a diarylethene thin broad sword shaped crystal: a study on the detailed mechanism","Chemical Science","2020","11","45","12307","12315","10.1039/D0SC05388K","","","0.4246","synchrotron","","0.1493","0.0978","","","0.2501","0.2896","","","","","","1.03","","","","has coordinates","259338","2020-11-30","02:04:45",""
"1559693","9.3405","0.0008","10.8596","0.0009","18.9774","0.0017","75.724","0.001","82.338","0.002","86.529","0.003","1848.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H42 Br2 N2 Ni -","- C41 H42 Br2 N2 Ni -","- C82 H84 Br4 N4 Ni2 -","2","1","","Li, Shuaikang; Dai, Shengyu","8-Arylnaphthyl substituent retarding chain transfer in insertion polymerization with unsymmetrical α-diimine systems","Polymer Chemistry","2020","11","45","7199","7206","10.1039/D0PY01231A","","","0.71073","MoKα","","0.0736","0.0416","","","0.0859","0.091","","","","","","1.068","","","","has coordinates","259465","2020-12-02","06:07:20",""
"1559694","12.93","0.0011","14.8499","0.0013","15.1301","0.0014","105.57","0.003","113.86","0.005","103.22","0.003","2364.4","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H61 Cl N2 Pd -","- C50 H61 Cl N2 Pd -","- C100 H122 Cl2 N4 Pd2 -","2","1","","Li, Shuaikang; Dai, Shengyu","8-Arylnaphthyl substituent retarding chain transfer in insertion polymerization with unsymmetrical α-diimine systems","Polymer Chemistry","2020","11","45","7199","7206","10.1039/D0PY01231A","","","0.71073","MoKα","","0.0754","0.059","","","0.1715","0.1827","","","","","","1.097","","","","has coordinates,has disorder","259465","2020-12-02","06:07:21",""
"1559695","9.23","0.0009","22.71","0.002","18.1601","0.0017","90","","91.2","0.002","90","","3805.8","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H41 Cl F4 N2 Pd -","- C42 H41 Cl F4 N2 Pd -","- C168 H164 Cl4 F16 N8 Pd4 -","4","1","","Li, Shuaikang; Dai, Shengyu","8-Arylnaphthyl substituent retarding chain transfer in insertion polymerization with unsymmetrical α-diimine systems","Polymer Chemistry","2020","11","45","7199","7206","10.1039/D0PY01231A","","","0.71073","MoKα","","0.1684","0.0671","","","0.0925","0.1104","","","","","","0.988","","","","has coordinates,has disorder","259465","2020-12-02","06:07:21",""
"1559696","17.2731","0.0015","12.489","0.0011","21.4769","0.0019","90","","127.871","0.005","90","","3657.3","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H45 Cl N2 Pd -","- C42 H45 Cl N2 Pd -","- C168 H180 Cl4 N8 Pd4 -","4","1","","Li, Shuaikang; Dai, Shengyu","8-Arylnaphthyl substituent retarding chain transfer in insertion polymerization with unsymmetrical α-diimine systems","Polymer Chemistry","2020","11","45","7199","7206","10.1039/D0PY01231A","","","0.71073","MoKα","","0.108","0.0573","","","0.1051","0.1179","","","","","","1.028","","","","has coordinates,has disorder","259465","2020-12-02","06:07:21",""
"1559697","6.8808","0.0002","11.0218","0.0003","7.1787","0.0002","90","","94.454","0.003","90","","542.78","0.03","170.01","0.1","170.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 N2 S2 -","- C12 H6 N2 S2 -","- C24 H12 N4 S4 -","2","0.5","","Wei, Congyuan; Tang, Zhonghai; Zhang, Weifeng; Huang, Jianyao; Zhou, Yankai; Wang, Liping; Yu, Gui","Molecular engineering of (E)-1,2-bis(3-cyanothiophene-2-yl)ethene-based polymeric semiconductors for unipolar n-channel field-effect transistors","Polymer Chemistry","2020","11","46","7340","7348","10.1039/D0PY01399D","","x-ray","0.71073","MoKα","","0.0279","0.0261","","","0.0787","0.0798","","","","","","1.067","","","","has coordinates","260828","2021-01-07","07:14:43",""
"1559698","3.8298","0.0001","10.427","0.0002","13.8707","0.0002","90","","95.296","0.001","90","","551.54","0.02","170","0.1","170","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 N2 S2 -","- C12 H6 N2 S2 -","- C24 H12 N4 S4 -","2","0.5","","Wei, Congyuan; Tang, Zhonghai; Zhang, Weifeng; Huang, Jianyao; Zhou, Yankai; Wang, Liping; Yu, Gui","Molecular engineering of (E)-1,2-bis(3-cyanothiophene-2-yl)ethene-based polymeric semiconductors for unipolar n-channel field-effect transistors","Polymer Chemistry","2020","11","46","7340","7348","10.1039/D0PY01399D","","x-ray","1.54184","CuKα","","0.0384","0.0362","","","0.0978","0.0997","","","","","","1.127","","","","has coordinates","260828","2021-01-07","07:14:43",""
"1559718","14.931","0.003","8.6942","0.0017","18.187","0.004","90","","107.5","0.03","90","","2251.6","0.9","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 N2 Si -","- C24 H36 N2 Si -","- C96 H144 N8 Si4 -","4","1","","Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W.","A cyclopentadienyl functionalized silylene ‒ a flexible ligand for Si- and C-coordination","Chemical Science","2020","11","46","12446","12452","10.1039/D0SC04174B","","","0.71073","MoKα","","0.0514","0.0365","","","0.0867","0.0905","","","","","","0.927","","","","has coordinates","259673","2020-12-09","02:09:53",""
"1559719","11.4292","0.0005","20.8212","0.0011","16.8791","0.0007","90","","97.269","0.003","90","","3984.4","0.3","210","","210","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37.5 H54 N2 Si Zn -","- C37.5 H54 N2 Si Zn -","- C150 H216 N8 Si4 Zn4 -","4","1","","Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W.","A cyclopentadienyl functionalized silylene ‒ a flexible ligand for Si- and C-coordination","Chemical Science","2020","11","46","12446","12452","10.1039/D0SC04174B","","x-ray","0.71073","MoKα","","0.1027","0.0577","","","0.151","0.1689","","","","","","0.954","","","","has coordinates,has disorder","259673","2020-12-09","02:09:54",""
"1559720","8.5961","0.0004","10.5095","0.0003","19.1188","0.0009","90","","99.139","0.004","90","","1705.28","0.12","150","","150","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C36 H54 N2 Si Zn -","- C36 H54 N2 Si Zn -","- C72 H108 N4 Si2 Zn2 -","2","1","","Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W.","A cyclopentadienyl functionalized silylene ‒ a flexible ligand for Si- and C-coordination","Chemical Science","2020","11","46","12446","12452","10.1039/D0SC04174B","","x-ray","0.71073","MoKα","","0.0345","0.0293","","","0.0659","0.0671","","","","","","0.986","","","","has coordinates,has disorder","259673","2020-12-09","02:09:54",""
"1559721","11.4019","0.0006","20.6248","0.001","13.6772","0.0009","90","","101.761","0.005","90","","3148.8","0.3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Cl N2 Rh Si -","- C32 H48 Cl N2 Rh Si -","- C128 H192 Cl4 N8 Rh4 Si4 -","4","1","","Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W.","A cyclopentadienyl functionalized silylene ‒ a flexible ligand for Si- and C-coordination","Chemical Science","2020","11","46","12446","12452","10.1039/D0SC04174B","","","0.71073","MoKα","","0.0385","0.0267","","","0.0675","0.0713","","","","","","1.054","","","","has coordinates,has disorder","259673","2020-12-09","02:09:54",""
"1559722","33.271","0.007","9.5771","0.0019","19.943","0.004","90","","103.05","0.03","90","","6191","2","150","","150","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H48 Cl Ir N2 Si -","- C32 H48 Cl Ir N2 Si -","- C256 H384 Cl8 Ir8 N16 Si8 -","8","1","","Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W.","A cyclopentadienyl functionalized silylene ‒ a flexible ligand for Si- and C-coordination","Chemical Science","2020","11","46","12446","12452","10.1039/D0SC04174B","","x-ray","0.71073","MoKα","","0.0342","0.0224","","","0.0467","0.0484","","","","","","0.956","","","","has coordinates","259673","2020-12-09","02:09:55",""
"1559723","10.2454","0.0007","12.6409","0.0009","15.4096","0.0009","105.459","0.005","107.476","0.005","100.998","0.005","1753.3","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H51 Ca I N2 Si -","- C34 H51 Ca I N2 Si -","- C68 H102 Ca2 I2 N4 Si2 -","2","1","","Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W.","A cyclopentadienyl functionalized silylene ‒ a flexible ligand for Si- and C-coordination","Chemical Science","2020","11","46","12446","12452","10.1039/D0SC04174B","","x-ray","0.71073","MoKα","","0.0499","0.0328","","","0.0667","0.0689","","","","","","0.938","","","","has coordinates","259673","2020-12-09","02:09:55",""
"1559724","8.6931","0.0017","16.799","0.003","16.673","0.003","90","","102.11","0.03","90","","2380.7","0.8","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 N2 Si -","- C24 H36 N2 Si -","- C96 H144 N8 Si4 -","4","1","","Kaufmann, Sebastian; Krätschmer, Frederic; Köppe, Ralf; Schon, Thorben; Schoo, Christoph; Roesky, Peter W.","A cyclopentadienyl functionalized silylene ‒ a flexible ligand for Si- and C-coordination","Chemical Science","2020","11","46","12446","12452","10.1039/D0SC04174B","","","0.71073","MoKα","","0.0698","0.0489","","","0.1354","0.1486","","","","","","1.048","","","","has coordinates","259673","2020-12-09","02:09:55",""
"1559725","22.3705","0.0017","32.55","0.002","22.5838","0.0017","90","","95.026","0.002","90","","16381","2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C250 H258 Mn24 N2 O130 -","- C250 H140 Mn24 N2 O130 -","- C500 H280 Mn48 N4 O260 -","2","0.5","","Hu, Xiangquan; Feng, Sisi; Du, Jialei; Shao, Li; Lang, Jinxin; Zhang, Chen; Kelley, Steven P.; Lin, Jian; Dalgarno, Scott J.; Atwood, David A.; Atwood, Jerry L.","Controlled hierarchical self-assembly of networked coordination nanocapsules via the use of molecular chaperones","Chemical Science","2020","11","46","12547","12552","10.1039/D0SC05002D","","","0.71073","MoKα","","0.1907","0.1318","","","0.3923","0.4373","","","","","","1.678","","","","has coordinates,has disorder","259674","2020-12-09","02:11:18",""
"1559726","37.471","0.005","39.182","0.005","25.613","0.004","90","","90","","90","","37605","9","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C248 H252 Mn24 N4 O140 -","- C248 H204 Mn24 N4 O140 -","- C992 H816 Mn96 N16 O560 -","4","0.5","","Hu, Xiangquan; Feng, Sisi; Du, Jialei; Shao, Li; Lang, Jinxin; Zhang, Chen; Kelley, Steven P.; Lin, Jian; Dalgarno, Scott J.; Atwood, David A.; Atwood, Jerry L.","Controlled hierarchical self-assembly of networked coordination nanocapsules via the use of molecular chaperones","Chemical Science","2020","11","46","12547","12552","10.1039/D0SC05002D","","","0.71073","MoKα","","0.1834","0.0858","","","0.2134","0.2766","","","","","","1.013","","","","has coordinates,has disorder","259674","2020-12-09","02:11:18",""
"1559732","9.0142","0.0016","9.975","0.002","11.8175","0.0014","90","","95.44","0.013","90","","1057.8","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H19 Cl O2 -","- C25.963 H19 Cl O2 -","- C51.926 H38 Cl2 O4 -","2","1","","Peng, Xiaolin; Xu, Jun; Li, Tingting; Chi, Yonggui Robin; Jin, Zhichao","Chemo-selective cross reaction of two enals via carbene-catalyzed dual activation","Chemical Science","2020","11","46","12533","12539","10.1039/D0SC03297B","","","1.54178","CuKα","","0.0844","0.0655","","","0.154","0.1784","","","","","","1.079","","","","has coordinates,has disorder","259677","2020-12-09","02:14:02",""
"1559866","19.994","0.008","15.029","0.006","25.36","0.006","90","","94.394","0.01","90","","7598","5","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C130 H56 Cl0 Dy N4 Ni O0 S Sc -","- C130 H56 Dy N4 Ni S Sc -","- C520 H224 Dy4 N16 Ni4 S4 Sc4 -","4","1","","Cai, Wenting; Bocarsly, Joshua D.; Gomez, Ashley; Letona Lee, Rony J.; Metta-Magaña, Alejandro; Seshadri, Ram; Echegoyen, Luis","High blocking temperatures for DyScS endohedral fullerene single-molecule magnets","Chemical Science","2020","11","48","13129","13136","10.1039/D0SC05265E","","","0.71073","MoKα","","0.2615","0.1637","","","0.3514","0.3659","","","","","","1.488","","","","has coordinates,has disorder","260154","2020-12-26","01:40:24",""
"1559867","26.8856","0.0018","17.1624","0.0011","17.8103","0.0012","90","","106.578","0.003","90","","7876.4","0.9","150","2","150","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C256 H106 Dy2 N8 Ni2 S6 Sc2 -","- C256 H106 Dy2.0004 N8 Ni2 S6 Sc2.0004 -","- C512 H212 Dy4.0008 N16 Ni4 S12 Sc4.0008 -","2","0.25","","Cai, Wenting; Bocarsly, Joshua D.; Gomez, Ashley; Letona Lee, Rony J.; Metta-Magaña, Alejandro; Seshadri, Ram; Echegoyen, Luis","High blocking temperatures for DyScS endohedral fullerene single-molecule magnets","Chemical Science","2020","11","48","13129","13136","10.1039/D0SC05265E","","","0.71073","MoKα","","0.1966","0.1636","","","0.3708","0.3882","","","","","","1.647","","","","has coordinates,has disorder","260154","2020-12-26","01:40:25",""
"1559868","20.235","0.004","6.783","0.001","27.996","0.006","90","","90","","90","","3842.6","1.3","293","2","293","2","","","","","","","","3","P n a 21","P 2c -2n","33","Keinan-31","Pentakis(t-butylsulfido)corannulene","","- C40 H50 S5 -","- C40 H50 S5 -","- C160 H200 S20 -","4","1","","Solel, Ephrath; Pappo, Doron; Reany, Ofer; Mejuch, Tom; Gershoni-Poranne, Renana; Botoshansky, Mark; Stanger, Amnon; Keinan, Ehud","Flat corannulene: when a transition state becomes a stable molecule","Chemical Science","2020","11","48","13015","13025","10.1039/D0SC04566G","","","0.71073","MoKα","","0.127","0.0791","","","0.2085","0.2449","","","","","","1.155","","","","has coordinates","260155","2020-12-26","01:41:20",""
"1559869","10.37","0.002","21.376","0.004","14.87","0.003","90","","90.74","0.02","90","","3295.9","1.1","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","Keinan-43 polymorph B","Decakis(t-butylsulfido)corannulene","","- C60 H90 S10 -","- C60 H90 S10 -","- C120 H180 S20 -","2","1","","Solel, Ephrath; Pappo, Doron; Reany, Ofer; Mejuch, Tom; Gershoni-Poranne, Renana; Botoshansky, Mark; Stanger, Amnon; Keinan, Ehud","Flat corannulene: when a transition state becomes a stable molecule","Chemical Science","2020","11","48","13015","13025","10.1039/D0SC04566G","","","0.71073","MoKα","","0.2521","0.0968","","","0.2413","0.3063","","","","","","0.872","","","","has coordinates","260155","2020-12-26","01:41:21",""
"1559870","20.793","0.004","20.793","0.004","16.882","0.003","90","","90","","120","","6321","2","240","1","240","1","","","","","","","","4","P 3","P 3","143","Keinan-58 Polymorph A","Decakis(t-butylsulfido)corannulene","","- C60 H94.33 O2.33 S10 -","- C60 H94.33 O2.33 S10 -","- C180 H282.99 O6.99 S30 -","3","1","","Solel, Ephrath; Pappo, Doron; Reany, Ofer; Mejuch, Tom; Gershoni-Poranne, Renana; Botoshansky, Mark; Stanger, Amnon; Keinan, Ehud","Flat corannulene: when a transition state becomes a stable molecule","Chemical Science","2020","11","48","13015","13025","10.1039/D0SC04566G","","","0.71073","MoKα","","0.1836","0.0995","","","0.2371","0.2722","","","","","","1.427","","","","has coordinates","260155","2020-12-26","01:41:22",""
"1559893","15.797","0.0011","10.6695","0.0007","7.533","0.0005","90","","91.679","0.003","90","","1269.11","0.15","149.97","","149.97","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Br2 O -","- C12 H14 Br2 O -","- C48 H56 Br8 O4 -","4","1","","Roemer, Max; Gonçales, Vinicius R.; Keaveney, Sinead T.; Pernik, Indrek; Lian, Jiaxin; Downes, James; Gooding, J. Justin; Messerle, Barbara A.","Carbon supported hybrid catalysts for controlled product selectivity in the hydrosilylation of alkynes","Catalysis Science & Technology","2021","11","5","1888","1898","10.1039/D0CY02136A","","","0.71073","MoKα","","0.0495","0.0338","","","0.0772","0.0855","","","","","","1.021","","","","has coordinates","263611","2021-04-05","13:49:46",""
"1559894","14.654","0.0014","7.0476","0.0007","17.0806","0.0019","90","","91.653","0.004","90","","1763.3","0.3","149.95","","149.95","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N6 O -","- C18 H22 N6 O -","- C72 H88 N24 O4 -","4","1","","Roemer, Max; Gonçales, Vinicius R.; Keaveney, Sinead T.; Pernik, Indrek; Lian, Jiaxin; Downes, James; Gooding, J. Justin; Messerle, Barbara A.","Carbon supported hybrid catalysts for controlled product selectivity in the hydrosilylation of alkynes","Catalysis Science & Technology","2021","11","5","1888","1898","10.1039/D0CY02136A","","","0.71073","MoKα","","0.0903","0.0462","","","0.0985","0.1202","","","","","","1.053","","","","has coordinates","263611","2021-04-05","13:49:46",""
"1559895","5.4266","0.0005","52.494","0.005","8.032","0.0008","90","","107.835","0.003","90","","2178.1","0.4","99.57","","99.57","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H32 N6 O -","- C23 H32 N6 O -","- C92 H128 N24 O4 -","4","1","","Roemer, Max; Gonçales, Vinicius R.; Keaveney, Sinead T.; Pernik, Indrek; Lian, Jiaxin; Downes, James; Gooding, J. Justin; Messerle, Barbara A.","Carbon supported hybrid catalysts for controlled product selectivity in the hydrosilylation of alkynes","Catalysis Science & Technology","2021","11","5","1888","1898","10.1039/D0CY02136A","","","0.71073","MoKα","","0.0511","0.0425","","","0.1063","0.1091","","","","","","1.052","","","","has coordinates","263611","2021-04-05","13:49:46",""
"1559971","8.4055","0.0006","18.3319","0.0012","15.0466","0.001","90","","92.57","0.002","90","","2316.2","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 Fe N2 O4 Si2 -","- C20 H30 Fe N2 O4 Si2 -","- C80 H120 Fe4 N8 O16 Si8 -","4","1","","Cingolani, Andrea; Gualandi, Isacco; Scavetta, Erika; Cesari, Cristiana; Zacchini, Stefano; Tonelli, Domenica; Zanotti, Valerio; Franchi, Paola; Lucarini, Marco; Sicilia, Emilia; Mazzone, Gloria; Nanni, Daniele; Mazzoni, Rita","Cyclopentadienone‒NHC iron(0) complexes as low valent electrocatalysts for water oxidation","Catalysis Science & Technology","2021","11","4","1407","1418","10.1039/D0CY02329A","","","0.71073","MoKα","","0.0838","0.0751","","","0.1296","0.1319","","","","","","1.421","","","","has coordinates","262466","2021-03-05","01:14:10",""
"1560073","5.656","0.0003","8.202","0.0004","16.2422","0.0009","90","","92.949","0.002","90","","752.49","0.07","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(R,E)-4-(4-methoxybenzylidene)-3-phenyltetrahydrofuran-3-ol","","- C18 H18 O3 -","- C18 H18 O3 -","- C36 H36 O6 -","2","1","","Mu, Yu; Zhang, Tao; Cheng, Yaping; Fu, Wenzhen; Wei, Zuting; Chen, Wanjun; Liu, Guodu","Efficient synthesis of tetrahydrofurans with chiral tertiary allylic alcohols catalyzed by Ni/P-chiral ligand DI-BIDIME","Catalysis Science & Technology","2021","11","6","2306","2315","10.1039/D0CY02470H","","","0.71073","MoKα","","0.0893","0.0562","","","0.1274","0.1487","","","","","","1.049","","","","has coordinates","263613","2021-04-05","13:50:01",""
"1560074","6.5109","0.0008","8.5749","0.0012","26.234","0.004","90","","90","","90","","1464.7","0.4","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(R,E)-3-benzyl-4-benzylidenetetrahydrofuran-3-ol","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Mu, Yu; Zhang, Tao; Cheng, Yaping; Fu, Wenzhen; Wei, Zuting; Chen, Wanjun; Liu, Guodu","Efficient synthesis of tetrahydrofurans with chiral tertiary allylic alcohols catalyzed by Ni/P-chiral ligand DI-BIDIME","Catalysis Science & Technology","2021","11","6","2306","2315","10.1039/D0CY02470H","","","0.71073","MoKα","","0.0752","0.0551","","","0.1249","0.1397","","","","","","1.028","","","","has coordinates","263613","2021-04-05","13:50:01",""
"1560075","8.9958","0.0001","12.8818","0.0001","19.2304","0.0002","90","","96.615","0.001","90","","2213.62","0.04","150.01","0.15","150.01","0.15","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Al N2 O6 -","- C23 H27 Al N2 O6 -","- C92 H108 Al4 N8 O24 -","4","1","","Diment, Wilfred T.; Stößer, Tim; Kerr, Ryan W. F.; Phanopoulos, Andreas; Durr, Christopher B.; Williams, Charlotte K.","Ortho-vanillin derived Al(iii) and Co(iii) catalyst systems for switchable catalysis using ε-decalactone, phthalic anhydride and cyclohexene oxide","Catalysis Science & Technology","2021","11","5","1737","1745","10.1039/D0CY02164D","","x-ray","1.54184","CuKα","","0.0335","0.0312","","","0.0812","0.083","","","","","","1.045","","","","has coordinates","263610","2021-04-05","13:49:35",""
"1560076","8.9996","0.0001","12.8364","0.0002","19.0472","0.0003","90","","96.745","0.001","90","","2185.15","0.05","150","0.16","150","0.16","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Co N2 O6 -","- C23 H27 Co N2 O6 -","- C92 H108 Co4 N8 O24 -","4","1","","Diment, Wilfred T.; Stößer, Tim; Kerr, Ryan W. F.; Phanopoulos, Andreas; Durr, Christopher B.; Williams, Charlotte K.","Ortho-vanillin derived Al(iii) and Co(iii) catalyst systems for switchable catalysis using ε-decalactone, phthalic anhydride and cyclohexene oxide","Catalysis Science & Technology","2021","11","5","1737","1745","10.1039/D0CY02164D","","x-ray","1.54184","CuKα","","0.0375","0.0337","","","0.0807","0.083","","","","","","1.072","","","","has coordinates","263610","2021-04-05","13:49:36",""
"1560077","7.869","0.0001","15.7511","0.0002","17.6113","0.0003","90","","90","","90","","2182.84","0.05","149.98","0.18","149.98","0.18","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 Al N2 O4 -","- C23 H29 Al N2 O4 -","- C92 H116 Al4 N8 O16 -","4","1","","Diment, Wilfred T.; Stößer, Tim; Kerr, Ryan W. F.; Phanopoulos, Andreas; Durr, Christopher B.; Williams, Charlotte K.","Ortho-vanillin derived Al(iii) and Co(iii) catalyst systems for switchable catalysis using ε-decalactone, phthalic anhydride and cyclohexene oxide","Catalysis Science & Technology","2021","11","5","1737","1745","10.1039/D0CY02164D","","x-ray","1.54184","CuKα","","0.0391","0.0362","","","0.0957","0.098","","","","","","1.039","","","","has coordinates","263610","2021-04-05","13:49:36",""
"1560115","18.363","0.005","3.83","0.0009","14.745","0.003","90","","90","","90","","1037","0.4","150","2","150","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C6 H8 Mo N4 O4 -","- C6 H6 Mo N4 O4 -","- C24 H24 Mo4 N16 O16 -","4","0.5","","Amarante, Tatiana R.; Neves, Patrícia; Almeida Paz, Filipe A.; Gomes, Ana C.; Pillinger, Martyn; Valente, Anabela A.; Gonçalves, Isabel S.","Heterogeneous catalysis with an organic‒inorganic hybrid based on MoO3 chains decorated with 2,2′-biimidazole ligands","Catalysis Science & Technology","2021","11","6","2214","2228","10.1039/D1CY00055A","","","0.71073","MoKα","","0.1075","0.0574","","","0.123","0.1405","","","","","","1.188","","","","has coordinates","263612","2021-04-05","13:49:54",""
"1560129","7.2473","0.0001","12.2693","0.0002","10.9251","0.0001","90","","90.353","0.001","90","","971.43","0.02","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H19 N O3 S Se -","- C22 H19 N O3 S Se -","- C44 H38 N2 O6 S2 Se2 -","2","1","","Hua, Jiawei; Bian, Mixue; Ma, Tao; Yang, Man; He, Wei; Yang, Zhao; Liu, ChengKou; Fang, Zheng; Guo, Kai","The sunlight-promoted aerobic selective cyclization of olefinic amides and diselenides","Catalysis Science & Technology","2021","11","6","2299","2305","10.1039/D0CY02273J","","","1.54178","CuKα","","0.0306","0.0304","","","0.081","0.0812","","","","","","0.989","","","","has coordinates","263614","2021-04-05","13:50:08",""
"1560130","5.8297","0.0004","16.2078","0.001","20.9813","0.0013","90","","93.402","0.003","90","","1979","0.2","173","2","173.01","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N O3 S Se -","- C22 H19 N O3 S Se -","- C88 H76 N4 O12 S4 Se4 -","4","1","","Hua, Jiawei; Bian, Mixue; Ma, Tao; Yang, Man; He, Wei; Yang, Zhao; Liu, ChengKou; Fang, Zheng; Guo, Kai","The sunlight-promoted aerobic selective cyclization of olefinic amides and diselenides","Catalysis Science & Technology","2021","11","6","2299","2305","10.1039/D0CY02273J","","","1.34139","GaKα","","0.065","0.0625","","","0.1592","0.1612","","","","","","1.045","","","","has coordinates","263614","2021-04-05","13:50:09",""
"1560262","16.268","0.003","17.763","0.003","23.082","0.004","87.715","0.01","81.35","0.01","66.621","0.009","6051.3","1.9","193","2","193","2","","","","","","","","7","P 1","P 1","1","","","","- C57 H73 Cl2 N2 O3.5 P2 Ru -","- C57 H73 Cl2 N2 O3.5 P2 Ru -","- C228 H292 Cl8 N8 O14 P8 Ru4 -","4","4","","León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio","A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands","Catalysis Science & Technology","2021","11","7","2497","2511","10.1039/D0CY02390F","","","0.71073","MoKα","","0.1214","0.0836","","","0.2425","0.2708","","","","","","1.062","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1560263","14.0362","0.0013","14.0362","0.0013","55.098","0.007","90","","90","","90","","10855","2","193","2","193","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C55 H68 Cl2 N2 O3 P2 Ru -","- C55 H68 Cl2 N2 O3 P2 Ru -","- C440 H544 Cl16 N16 O24 P16 Ru8 -","8","1","","León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio","A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands","Catalysis Science & Technology","2021","11","7","2497","2511","10.1039/D0CY02390F","","","0.71073","MoKα","","0.0823","0.0569","","","0.131","0.1416","","","","","","1.028","","","","has coordinates","264853","2021-05-05","07:55:38",""
"1560264","14.485","0.003","13.276","0.003","16.008","0.004","90","","104.344","0.006","90","","2982.4","1.2","193","2","193","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C55 H68 Cl2 N2 O3 P2 Ru -","- C55 H68 Cl2 N2 O3 P2 Ru -","- C110 H136 Cl4 N4 O6 P4 Ru2 -","2","1","","León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio","A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands","Catalysis Science & Technology","2021","11","7","2497","2511","10.1039/D0CY02390F","","","0.71073","MoKα","","0.0284","0.0266","","","0.0702","0.0708","","","","","","1.219","","","","has coordinates","264853","2021-05-05","07:55:40",""
"1560265","29.604","0.014","12.869","0.004","29.396","0.014","90","","114.68","0.02","90","","10176","8","193","2","193","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C50 H58 Cl4 N2 O5 P2 Ru -","- C50 H58 Cl4 N2 O5 P2 Ru -","- C400 H464 Cl32 N16 O40 P16 Ru8 -","8","2","","León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio","A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands","Catalysis Science & Technology","2021","11","7","2497","2511","10.1039/D0CY02390F","","","0.71073","MoKα","","0.1347","0.0617","","","0.1278","0.1524","","","","","","1.015","","","","has coordinates","264853","2021-05-05","07:55:41",""
"1560266","13.3642","0.0003","15.0349","0.0003","18.4697","0.0004","89.212","0.001","76.738","0.001","66.771","0.001","3307.09","0.13","173","2","173","2","","","","","","","","8","P 1","P 1","1","","","","- C123 H142 Cl10 F4 N4 O6 P4 Ru2 -","- C123 H142 Cl10 F4 N4 O6 P4 Ru2 -","- C123 H142 Cl10 F4 N4 O6 P4 Ru2 -","1","1","","León, Félix; Comas-Vives, Aleix; Álvarez, Eleuterio; Pizzano, Antonio","A combined experimental and computational study to decipher complexity in the asymmetric hydrogenation of imines with Ru catalysts bearing atropisomerizable ligands","Catalysis Science & Technology","2021","11","7","2497","2511","10.1039/D0CY02390F","","","0.71073","MoKα","","0.0361","0.0317","","","0.0901","0.0926","","","","","","1.052","","","","has coordinates,has disorder","264853","2021-05-05","07:55:41",""
"1560272","7.1611","0.0004","10.7203","0.0006","11.6662","0.0007","90","","90.805","0.002","90","","895.52","0.09","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 Cl6 N8 O2 Ru2 -","- C10 H8 Cl6 N8 O2 Ru2 -","- C20 H16 Cl12 N16 O4 Ru4 -","2","0.5","","Orts-Arroyo, Marta; Castro, Isabel; Martínez-Lillo, José","Detection of Hypoxanthine from Inosine and Unusual Hydrolysis of Immunosuppressive Drug Azathioprine through the Formation of a Diruthenium(III) System.","Biosensors","2021","11","1","19","","10.3390/bios11010019","","","0.71073","MoKα","","0.1128","0.0726","","","0.1811","0.2239","","","","","","1.17","","","","has coordinates","261773","2021-02-05","01:18:46",""
"1560273","8.7139","0.0006","11.8652","0.0009","10.2858","0.0008","90","","112.318","0.002","90","","983.81","0.13","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Cl6 N8 O4 Ru2 -","- C10 H12 Cl6 N8 O4 Ru2 -","- C20 H24 Cl12 N16 O8 Ru4 -","2","0.5","","Orts-Arroyo, Marta; Castro, Isabel; Martínez-Lillo, José","Detection of Hypoxanthine from Inosine and Unusual Hydrolysis of Immunosuppressive Drug Azathioprine through the Formation of a Diruthenium(III) System.","Biosensors","2021","11","1","19","","10.3390/bios11010019","","","0.71073","MoKα","","0.1099","0.0844","","","0.2014","0.2185","","","","","","1.066","","","","has coordinates","261774","2021-02-05","01:19:08",""
"1560480","11.9618","0.0003","16.8603","0.0004","23.0411","0.0006","90","","90","","90","","4646.9","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","n-Butyltin(IV) benzoate","","- C25 H24 O6 Sn -","- C25 H24 O6 Sn -","- C200 H192 O48 Sn8 -","8","1","","Wolzak, Lukas A.; Hermans, Joen J.; de Vries, Folkert; van den Berg, Keimpe J.; Reek, Joost N. H.; Tromp, Moniek; Korstanje, Ties J.","Mechanistic elucidation of monoalkyltin(iv)-catalyzed esterification","Catalysis Science & Technology","2021","11","10","3326","3332","10.1039/D1CY00184A","","","0.71073","MoKα","","0.0478","0.0277","","","0.0497","0.0553","","","","","","1.049","","","","has coordinates","265830","2021-06-05","17:10:18",""
"1560497","8.2268","0.0003","14.3426","0.0006","14.7546","0.0006","90","","90","","90","","1740.95","0.12","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H23 Cl Ir N O2 -","- C18 H23 Cl Ir N O2 -","- C72 H92 Cl4 Ir4 N4 O8 -","4","1","","Gatto, Giordano; De Palo, Alice; Carrasco, Ana C.; Pizarro, Ana M.; Zacchini, Stefano; Pampaloni, Guido; Marchetti, Fabio; Macchioni, Alceo","Modulating the water oxidation catalytic activity of iridium complexes by functionalizing the Cp*-ancillary ligand: hints on the nature of the active species","Catalysis Science & Technology","2021","11","8","2885","2895","10.1039/D0CY02306J","","","0.71073","MoKα","","0.0147","0.0145","","","0.033","0.033","","","","","","1.189","","","","has coordinates","264852","2021-05-05","07:54:59",""
"1560498","8.7487","0.001","17.713","0.002","20.308","0.003","73.261","0.004","89.913","0.004","83.794","0.004","2994.6","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Cl4 F2 Ir2 -","- C30 H32 Cl4 F2 Ir2 -","- C120 H128 Cl16 F8 Ir8 -","4","2","","Gatto, Giordano; De Palo, Alice; Carrasco, Ana C.; Pizarro, Ana M.; Zacchini, Stefano; Pampaloni, Guido; Marchetti, Fabio; Macchioni, Alceo","Modulating the water oxidation catalytic activity of iridium complexes by functionalizing the Cp*-ancillary ligand: hints on the nature of the active species","Catalysis Science & Technology","2021","11","8","2885","2895","10.1039/D0CY02306J","","","0.71073","MoKα","","0.0815","0.0612","","","0.1395","0.1479","","","","","","1.074","","","","has coordinates,has disorder","264852","2021-05-05","07:55:00",""
"1560703","13.0437","0.0002","24.3865","0.0005","28.8657","0.0005","90","","101.971","0.002","90","","8982.2","0.3","173","2","293.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H32 Cl2 Ir N8 Pt -","- C54.5 H32 Cl2 Ir N8 Pt -","- C436 H256 Cl16 Ir8 N64 Pt8 -","8","1","","Wu, Si-Hai; Ma, Dian-Xue; Gong, Zhong-Liang; Ma, Junjie; Shao, Jiang-Yang; Yang, Rong; Zhong, Yu-Wu","Synthesis, Photophysical, and Computational Studies of a Bridged Ir^III^-Pt^II^ Heterodimetallic Complex","Crystals","2021","11","3","236","","10.3390/cryst11030236","","","0.71073","MoKα","","0.0543","0.0442","","","0.112","0.1179","","","","","","1.087","","","","has coordinates","262275","2021-02-26","15:42:47",""
"1561024","10.3649","0.0002","17.385","0.0004","10.4787","0.0002","90","","93.802","0.002","90","","1884.04","0.07","150","0.3","150","0.3","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H48 I2 N2 O7 Zn2 -","- C33 H48 I2 N2 O7 Zn2 -","- C66 H96 I4 N4 O14 Zn4 -","2","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","x-ray","1.54184","CuKα","","0.0448","0.0421","","","0.1101","0.1134","","","","","","1.033","","","","has coordinates,has disorder","265832","2021-06-05","17:11:35",""
"1561025","13.906","0.0002","14.3422","0.0002","37.8508","0.0005","90","","90","","90","","7549.06","0.18","150","2","150.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C33 H48 Ca I2 N2 O7 Zn -","- C33 H48 Ca I2 N2 O7 Zn -","- C264 H384 Ca8 I16 N16 O56 Zn8 -","8","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0417","0.0353","","","0.089","0.0939","","","","","","1.057","","","","has coordinates,has disorder","265832","2021-06-05","17:11:36",""
"1561026","12.3544","0.0001","10.9625","0.0001","19.5187","0.0001","90","","90.048","0.001","90","","2643.52","0.03","150","2","150.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 Br Li Mg N2 O5 -","- C25 H32 Br Li Mg N2 O5 -","- C100 H128 Br4 Li4 Mg4 N8 O20 -","4","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0265","0.0253","","","0.0678","0.0689","","","","","","1.055","","","","has coordinates","265832","2021-06-05","17:11:36",""
"1561027","26.6385","0.0005","12.1506","0.0002","18.5863","0.0003","90","","90","","90","","6015.9","0.18","150","2","150.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C63 H72 Mg3 N6 O12 -","- C63 H72 Mg3 N6 O12 -","- C252 H288 Mg12 N24 O48 -","4","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0521","0.0456","","","0.1154","0.1227","","","","","","1.011","","","","has coordinates,has disorder","265832","2021-06-05","17:11:36",""
"1561028","11.2287","0.0004","11.2287","0.0004","32.691","0.002","90","","90","","90","","4121.8","0.3","150","2","150.15","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C42 H48 Li4 N4 O8 -","- C42 H48 Li4 N4 O8 -","- C168 H192 Li16 N16 O32 -","4","0.5","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0624","0.049","","","0.1181","0.1255","","","","","","1.063","","","","has coordinates","265832","2021-06-05","17:11:36",""
"1561029","12.2484","0.0003","11.1331","0.0003","19.8508","0.0005","90","","91.174","0.002","90","","2706.34","0.12","150","2","150.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 I Li N2 O5 Zn -","- C25 H32 I Li N2 O5 Zn -","- C100 H128 I4 Li4 N8 O20 Zn4 -","4","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0258","0.0224","","","0.0534","0.0552","","","","","","1.023","","","","has coordinates","265832","2021-06-05","17:11:36",""
"1561030","10.7086","0.0001","20.5174","0.0002","8.9876","0.0001","90","","98.462","0.001","90","","1953.19","0.03","150","2","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 N4 O8 Zn2 -","- C42 H48 N4 O8 Zn2 -","- C84 H96 N8 O16 Zn4 -","2","0.5","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0322","0.0305","","","0.082","0.0839","","","","","","1.023","","","","has coordinates","265832","2021-06-05","17:11:36",""
"1561031","10.7707","0.0003","17.2439","0.0007","19.6341","0.0006","90","","90.981","0.003","90","","3646.1","0.2","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 Cd I2 Mg N4 O4 -","- C25 H30 Cd I2 Mg N4 O4 -","- C100 H120 Cd4 I8 Mg4 N16 O16 -","4","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","x-ray","0.71073","MoKα","","0.1102","0.0824","","","0.2613","0.2868","","","","","","1.041","","","","has coordinates","265832","2021-06-05","17:11:36",""
"1561032","10.3649","0.0002","17.385","0.0004","10.4787","0.0002","90","","93.802","0.002","90","","1884.04","0.07","150","2","150.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H46 I2 N2 O7 Zn2 -","- C33 H46 I2 N2 O7 Zn2 -","- C66 H92 I4 N4 O14 Zn4 -","2","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0448","0.0421","","","0.1103","0.1136","","","","","","1.033","","","","has coordinates,has disorder","265832","2021-06-05","17:11:36",""
"1561033","10.1985","0.0002","10.9552","0.0003","15.6105","0.0003","86.416","0.002","87.592","0.002","73.094","0.002","1664.95","0.07","150","2","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C29 H40 Cd I2 N2 O6 Zn -","- C29 H40 Cd I2 N2 O6 Zn -","- C58 H80 Cd2 I4 N4 O12 Zn2 -","2","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0825","0.0817","","","0.1787","0.1803","","","","","","1.215","","","","has coordinates","265832","2021-06-05","17:11:36",""
"1561034","21.0024","0.0005","10.5844","0.0002","15.9024","0.0003","90","","91.002","0.002","90","","3534.53","0.13","150","2","150.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H48 I N2 Na O7 Zn -","- C33 H48 I N2 Na O7 Zn -","- C132 H192 I4 N8 Na4 O28 Zn4 -","4","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","","1.54184","CuKα","","0.0477","0.0376","","","0.0949","0.1021","","","","","","1.037","","","","has coordinates,has disorder","265832","2021-06-05","17:11:36",""
"1561035","10.7118","0.0002","20.0019","0.0002","18.6537","0.0003","90","","91.671","0.001","90","","3994.97","0.11","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H56 Br2 Mg2 N2 O8 -","- C37 H56 Br2 Mg2 N2 O8 -","- C148 H224 Br8 Mg8 N8 O32 -","4","1","","Deacy, Arron C.; Durr, Christopher B.; Kerr, Ryan W. F.; Williams, Charlotte K.","Heterodinuclear catalysts Zn(ii)/M and Mg(ii)/M, where M = Na(i), Ca(ii) or Cd(ii), for phthalic anhydride/cyclohexene oxide ring opening copolymerisation","Catalysis Science & Technology","2021","11","9","3109","3118","10.1039/D1CY00238D","","x-ray","1.54184","CuKα","","0.0672","0.0521","","","0.1427","0.1531","","","","","","1.084","","","","has coordinates","265832","2021-06-05","17:11:36",""
"1561513","18.425","0.0007","8.8088","0.0004","17.927","0.0007","90","","113.42","0.001","90","","2669.89","0.19","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H37 Cl N P2 Rh S2 -","- C23 H37 Cl N P2 Rh S2 -","- C92 H148 Cl4 N4 P8 Rh4 S8 -","4","1","","Hasche, Patrick; Haak, Julia; Anke, Felix; Kubis, Christoph; Baumann, Wolfgang; Drexler, Hans-Joachim; Jiao, Haijun; Beweries, Torsten","Dehydropolymerisation of methylamine borane using highly active rhodium(iii) bis(thiophosphinite) pincer complexes: catalytic and mechanistic insights","Catalysis Science & Technology","2021","11","10","3514","3526","10.1039/D1CY00124H","","","0.71073","MoKα","","0.0226","0.0192","","","0.0491","0.0505","","","","","","1.054","","","","has coordinates","265831","2021-06-05","17:10:30",""
"1561514","11.1268","0.0004","11.9807","0.0005","17.1003","0.0007","90","","92.141","0.001","90","","2278","0.16","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cl P2 Rh S2 -","- C18 H32 Cl P2 Rh S2 -","- C72 H128 Cl4 P8 Rh4 S8 -","4","1","","Hasche, Patrick; Haak, Julia; Anke, Felix; Kubis, Christoph; Baumann, Wolfgang; Drexler, Hans-Joachim; Jiao, Haijun; Beweries, Torsten","Dehydropolymerisation of methylamine borane using highly active rhodium(iii) bis(thiophosphinite) pincer complexes: catalytic and mechanistic insights","Catalysis Science & Technology","2021","11","10","3514","3526","10.1039/D1CY00124H","","","0.71073","MoKα","","0.0298","0.0245","","","0.0582","0.0619","","","","","","1.026","","","","has coordinates,has disorder","265831","2021-06-05","17:10:35",""
"1561515","9.2984","0.0002","15.248","0.0003","22.7278","0.0004","90","","100.479","0.001","90","","3168.65","0.11","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H29 Cl N P2 Rh S2 -","- C35 H29 Cl N P2 Rh S2 -","- C140 H116 Cl4 N4 P8 Rh4 S8 -","4","1","","Hasche, Patrick; Haak, Julia; Anke, Felix; Kubis, Christoph; Baumann, Wolfgang; Drexler, Hans-Joachim; Jiao, Haijun; Beweries, Torsten","Dehydropolymerisation of methylamine borane using highly active rhodium(iii) bis(thiophosphinite) pincer complexes: catalytic and mechanistic insights","Catalysis Science & Technology","2021","11","10","3514","3526","10.1039/D1CY00124H","","","0.71073","MoKα","","0.0233","0.021","","","0.0522","0.0537","","","","","","1.075","","","","has coordinates","265831","2021-06-05","17:10:35",""
"1562424","10.2734","0.0003","14.333","0.0006","21.7148","0.0006","90","","99.339","0.001","90","","3155.09","0.18","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H27 Cr N O4 P2 -","- C37 H27 Cr N O4 P2 -","- C148 H108 Cr4 N4 O16 P8 -","4","1","","Wang, Zhichao; Liu, Lin; Ma, Xufeng; Liu, Yao; Mi, Puke; Liu, Zhen; Zhang, Jun","Effect of an additional donor on decene formation in ethylene oligomerization catalyzed by a Cr/PCCP system: a combined experimental and DFT study","Catalysis Science & Technology","2021","11","13","4596","4604","10.1039/D1CY00423A","","","0.71073","MoKα","","0.0668","0.0445","","","0.0903","0.1017","","","","","","1.042","","","","has coordinates","268492","2021-09-06","08:48:08",""
"1562548","16.1662","0.0015","12.7556","0.0012","16.3557","0.0015","90","","96.7815","0.0018","90","","3349.1","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H50 N2 Si2 Zr2 -","- C33 H50 N2 Si2 Zr2 -","- C132 H200 N8 Si8 Zr8 -","4","1","","Lindenau, Kevin; Jannsen, Nora; Rippke, Mirko; Al Hamwi, Hanan; Selle, Carmen; Drexler, Hans-Joachim; Spannenberg, Anke; Sawall, Mathias; Neymeyr, Klaus; Heller, Detlef; Reiß, Fabian; Beweries, Torsten","Mechanistic insights into dehydrocoupling of amine boranes using dinuclear zirconocene complexes","Catalysis Science & Technology","2021","11","12","4034","4050","10.1039/D1CY00531F","","","0.71073","MoKα","","0.0527","0.0449","","","0.1129","0.1216","","","","","","1.04","","","","has coordinates,has disorder","266994","2021-07-05","16:05:02",""
"1562549","8.4309","0.0006","8.6096","0.0006","10.3197","0.0008","89.1575","0.0017","78.2307","0.0018","74.7766","0.0017","706.99","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H40 Si2 Zr2 -","- C29 H40 Si2 Zr2 -","- C29 H40 Si2 Zr2 -","1","0.5","","Lindenau, Kevin; Jannsen, Nora; Rippke, Mirko; Al Hamwi, Hanan; Selle, Carmen; Drexler, Hans-Joachim; Spannenberg, Anke; Sawall, Mathias; Neymeyr, Klaus; Heller, Detlef; Reiß, Fabian; Beweries, Torsten","Mechanistic insights into dehydrocoupling of amine boranes using dinuclear zirconocene complexes","Catalysis Science & Technology","2021","11","12","4034","4050","10.1039/D1CY00531F","","","1.54178","CuKα","","0.0328","0.0327","","","0.0889","0.089","","","","","","1.096","","","","has coordinates,has disorder","266994","2021-07-05","16:05:03",""
"1562550","8.3405","0.0002","25.5764","0.0006","14.2103","0.0004","90","","100.188","0.002","90","","2983.54","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H40 Si Zr2 -","- C33 H40 Si Zr2 -","- C132 H160 Si4 Zr8 -","4","1","","Lindenau, Kevin; Jannsen, Nora; Rippke, Mirko; Al Hamwi, Hanan; Selle, Carmen; Drexler, Hans-Joachim; Spannenberg, Anke; Sawall, Mathias; Neymeyr, Klaus; Heller, Detlef; Reiß, Fabian; Beweries, Torsten","Mechanistic insights into dehydrocoupling of amine boranes using dinuclear zirconocene complexes","Catalysis Science & Technology","2021","11","12","4034","4050","10.1039/D1CY00531F","","","0.71073","MoKα","","0.0326","0.0265","","","0.0697","0.0712","","","","","","1.028","","","","has coordinates,has disorder","266994","2021-07-05","16:05:03",""
"1562551","12.9147","0.0008","16.0454","0.0011","16.0971","0.001","73.455","0.003","74.142","0.003","82.668","0.003","3071.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30.11 H41.33 Cl0.89 Si2 Zr2 -","- C30.11 H41.33 Cl0.89 Si2 Zr2 -","- C120.44 H165.32 Cl3.56 Si8 Zr8 -","4","2","","Lindenau, Kevin; Jannsen, Nora; Rippke, Mirko; Al Hamwi, Hanan; Selle, Carmen; Drexler, Hans-Joachim; Spannenberg, Anke; Sawall, Mathias; Neymeyr, Klaus; Heller, Detlef; Reiß, Fabian; Beweries, Torsten","Mechanistic insights into dehydrocoupling of amine boranes using dinuclear zirconocene complexes","Catalysis Science & Technology","2021","11","12","4034","4050","10.1039/D1CY00531F","","","0.71073","MoKα","","0.0311","0.0274","","","0.0685","0.0706","","","","","","1.174","","","","has coordinates,has disorder","266994","2021-07-05","16:05:03",""
"1562893","9.4652","0.0009","9.6082","0.0009","24.647","0.003","90","","90.999","0.003","90","","2241.1","0.4","120","","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 Cl N O2 Os -","- C25 H28 Cl N O2 Os -","- C100 H112 Cl4 N4 O8 Os4 -","4","1","","Biriukov, Klim O.; Vinogradov, Mikhail M.; Afanasyev, Oleg I.; Vasilyev, Dmitry V.; Tsygankov, Alexey A.; Godovikova, Maria; Nelyubina, Yulia V.; Loginov, Dmitry A.; Chusov, Denis","Carbon monoxide-driven osmium catalyzed reductive amination harvesting WGSR power","Catalysis Science & Technology","2021","11","14","4922","4930","10.1039/D1CY00695A","","","0.71073","MoKα","","0.0626","0.0404","","","0.0712","0.0798","","","","","","0.969","","","","has coordinates","268493","2021-09-06","08:48:31",""
"1562894","6.961","0.003","19.454","0.007","16.217","0.006","90","","95.607","0.008","90","","2185.6","1.5","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Cl2 N2 O2 Os -","- C26 H16 Cl2 N2 O2 Os -","- C104 H64 Cl8 N8 O8 Os4 -","4","1","","Biriukov, Klim O.; Vinogradov, Mikhail M.; Afanasyev, Oleg I.; Vasilyev, Dmitry V.; Tsygankov, Alexey A.; Godovikova, Maria; Nelyubina, Yulia V.; Loginov, Dmitry A.; Chusov, Denis","Carbon monoxide-driven osmium catalyzed reductive amination harvesting WGSR power","Catalysis Science & Technology","2021","11","14","4922","4930","10.1039/D1CY00695A","","","0.71073","MoKα","","0.1337","0.0765","","","0.127","0.1488","","","","","","1.072","","","","has coordinates","268493","2021-09-06","08:48:42",""
"1563131","36.1891","0.0003","13.7667","0.0001","33.3782","0.0003","90","","107.739","0.001","90","","15838.5","0.2","169.99","0.1","169.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C85 H71 Cl2 F8 Fe N3 -","- C85 H71 Cl2 F8 Fe N3 -","- C680 H568 Cl16 F64 Fe8 N24 -","8","2","","Zhang, Qiuyue; Yang, Wenhong; Wang, Zheng; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Doubly fused N,N,N-iron ethylene polymerization catalysts appended with fluoride substituents; probing catalytic performance via a combined experimental and MLR study","Catalysis Science & Technology","2021","11","13","4605","4618","10.1039/D1CY00821H","","x-ray","1.54184","CuKα","","0.0619","0.0467","","","0.1191","0.133","","","","","","1.051","","","","has coordinates","275434","2022-05-16","05:31:58",""
"1563132","14.6606","0.0003","14.6606","0.0003","22.0189","0.0005","90","","90","","120","","4098.55","0.15","169.99","0.1","169.99","0.1","","","","","","","","6","P 31","P 31","144","","","","- C57 H51 Cl2 F4 Fe N3 -","- C57 H51 Cl2 F4 Fe N3 -","- C171 H153 Cl6 F12 Fe3 N9 -","3","1","","Zhang, Qiuyue; Yang, Wenhong; Wang, Zheng; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Doubly fused N,N,N-iron ethylene polymerization catalysts appended with fluoride substituents; probing catalytic performance via a combined experimental and MLR study","Catalysis Science & Technology","2021","11","13","4605","4618","10.1039/D1CY00821H","","x-ray","1.54184","CuKα","","0.0703","0.0494","","","0.1173","0.1315","","","","","","1.038","","","","has coordinates","268491","2021-09-06","08:47:43",""
"1563133","20.1017","0.0005","15.0497","0.0003","18.8974","0.0005","90","","117.144","0.003","90","","5087.3","0.3","169.99","0.11","169.99","0.11","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H53 Cl4 F4 Fe N3 -","- C58 H53 Cl4 F4 Fe N3 -","- C232 H212 Cl16 F16 Fe4 N12 -","4","1","","Zhang, Qiuyue; Yang, Wenhong; Wang, Zheng; Solan, Gregory A.; Liang, Tongling; Sun, Wen-Hua","Doubly fused N,N,N-iron ethylene polymerization catalysts appended with fluoride substituents; probing catalytic performance via a combined experimental and MLR study","Catalysis Science & Technology","2021","11","13","4605","4618","10.1039/D1CY00821H","","x-ray","1.54184","CuKα","","0.092","0.0799","","","0.2087","0.2188","","","","","","1.036","","","","has coordinates","268491","2021-09-06","08:47:56",""
"1563171","10.532","0.0006","13.2619","0.0007","18.1118","0.001","70.883","0.005","74.056","0.005","85.86","0.004","2297.9","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C80 H92 Co5 N2 O48 -","- C76 H52 Co5 O44 -","- C76 H52 Co5 O44 -","1","0.5","","Lu, Bing-Bing; Han, Xue; Feng, Cheng-Jie; Wang, Duo; Ye, Fei","Two Co(II)-Based MOFs Constructed from Resorcin[4]Arene Ligand: Syntheses, Structures, and Heterogeneous Catalyst for Conversion of CO2","Crystals","2021","11","6","574","","10.3390/cryst11060574","","","0.71073","MoKα","","0.1538","0.0847","","","0.1648","0.1883","","","","","","1.211","","","","has coordinates","266187","2021-06-06","00:06:52",""
"1563172","11.2564","0.0006","15.9785","0.0009","16.5583","0.001","62.347","0.006","73.527","0.005","70.219","0.005","2453.6","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H86 Co6 N2 O48 -","- C82 H52 Co6 N2 O46 -","- C82 H52 Co6 N2 O46 -","1","0.5","","Lu, Bing-Bing; Han, Xue; Feng, Cheng-Jie; Wang, Duo; Ye, Fei","Two Co(II)-Based MOFs Constructed from Resorcin[4]Arene Ligand: Syntheses, Structures, and Heterogeneous Catalyst for Conversion of CO2","Crystals","2021","11","6","574","","10.3390/cryst11060574","","","0.71073","MoKα","","0.1109","0.0663","","","0.1369","0.1559","","","","","","1.175","","","","has coordinates","266187","2021-06-06","00:07:04",""
"1563177","4.52","0.003","5.8014","0.0017","4.009","0.004","90","","90","","90","","105.13","0.13","293","","293","","","","","","","","high-pressure high-temperature synthesis","2","P n m a","-P 2ac 2n","62","Nickel carbide (3/1)","Nickel carbide (3/1)","","- C Ni3 -","- C Ni3 -","- C4 Ni12 -","4","0.5","","Fedotenko, Timofey; Khandarkhaeva, Saiana; Dubrovinsky, Leonid; Glazyrin, Konstantin; Sedmak, Pavel; Dubrovinskaia, Natalia","Synthesis and Compressibility of Novel Nickel Carbide at Pressures of Earth’s Outer Core","Minerals","2021","11","5","516","","10.3390/min11050516","","x-ray","0.2895","synchrotron","","0.1167","0.0659","","","0.1321","0.1571","","","","1.77","1.77","1.34","","","","has coordinates","266198","2021-06-06","07:34:28",""
"1564146","14.8197","0.0007","9.1753","0.0005","39.094","0.002","90","","94.49","0.005","90","","5299.5","0.5","173","0.2","173","0.2","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C49.8 H81.1 O15.75 -","- C49.8 H81.09 O15.745 -","- C199.2 H324.36 O62.98 -","4","1","","Shubin, Kirill; Bērziņš, Agris; Belyakov, Sergey","Crystal Structures of New Ivermectin Pseudopolymorphs","Crystals","2021","11","2","172","","10.3390/cryst11020172","","","1.54184","CuKα","","0.0982","0.0971","","","0.2572","0.2584","","","","","","1.052","","","","has coordinates","267527","2021-07-14","07:41:43",""
"1564147","16.7127","0.0002","24.5777","0.0002","24.5908","0.0002","90","","90","","90","","10100.9","0.17","160","0.1","160","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C98.1 H151.2 O29 -","- C98.1 H151.2 O29 -","- C392.4 H604.8 O116 -","4","1","","Shubin, Kirill; Bērziņš, Agris; Belyakov, Sergey","Crystal Structures of New Ivermectin Pseudopolymorphs","Crystals","2021","11","2","172","","10.3390/cryst11020172","","","1.54184","CuKα","","0.1051","0.0981","","","0.2873","0.2987","","","","","","1.485","","","","has coordinates","267528","2021-07-14","07:43:21",""
"1564148","16.7309","0.0001","24.5805","0.0002","24.5797","0.0002","90","","90","","90","","10108.5","0.13","160","0.2","160","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C98.1 H152.2 O28.5 -","- C98.1 H147.2 O28.5 -","- C392.4 H588.8 O114 -","4","1","","Shubin, Kirill; Bērziņš, Agris; Belyakov, Sergey","Crystal Structures of New Ivermectin Pseudopolymorphs","Crystals","2021","11","2","172","","10.3390/cryst11020172","","","1.54184","CuKα","","0.101","0.0972","","","0.2745","0.2815","","","","","","1.043","","","","has coordinates","267529","2021-07-14","07:44:55",""
"1564316","16.1058","0.0006","12.1316","0.0005","17.2976","0.0007","90","","100.554","0.001","90","","3322.6","0.2","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 Cl3 Cr N O P2 -","- C33 H35 Cl3 Cr N O P2 -","- C132 H140 Cl12 Cr4 N4 O4 P8 -","4","1","","Wang, Zhichao; Liu, Lin; Ma, Xufeng; Liu, Yao; Mi, Puke; Liu, Zhen; Zhang, Jun","Effect of an additional donor on decene formation in ethylene oligomerization catalyzed by a Cr/PCCP system: a combined experimental and DFT study","Catalysis Science & Technology","2021","11","13","4596","4604","10.1039/D1CY00423A","","","0.71073","MoKα","","0.0588","0.0396","","","0.0828","0.0932","","","","","","1.06","","","","has coordinates","267929","2021-08-04","03:02:47",""
"1564378","12.4454","0.0003","13.2667","0.0004","16.8433","0.0005","76.118","0.002","87.983","0.002","82.56","0.002","2677.01","0.13","100.02","0.1","100.02","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C56 H41 Cl Cu3 N15 O8 -","- C56 H40 Cl Cu3 N15 O8 -","- C112 H80 Cl2 Cu6 N30 O16 -","2","1","","Benkó, Tímea; Lukács, Dávid; Frey, Krisztina; Németh, Miklós; Móricz, Márta M.; Liu, Dongyu; Kováts, Éva; May, Nóra V.; Vayssieres, Lionel; Li, Mingtao; Pap, József S.","Redox-inactive metal single-site molecular complexes: a new generation of electrocatalysts for oxygen evolution?","Catalysis Science & Technology","2021","11","19","6411","6424","10.1039/D1CY01087E","","x-ray","1.54184","CuKα","","0.0473","0.0383","","","0.0958","0.1032","","","","","","1.02","","","","has coordinates","276143","2022-06-22","06:24:16",""
"1564379","7.881","0.0002","10.7847","0.0003","12.077","0.0004","91.738","0.002","105.882","0.002","95.876","0.002","980.28","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 Cl Cu N5 O6 -","- C19 H18 Cl Cu N5 O6 -","- C38 H36 Cl2 Cu2 N10 O12 -","2","1","","Benkó, Tímea; Lukács, Dávid; Frey, Krisztina; Németh, Miklós; Móricz, Márta M.; Liu, Dongyu; Kováts, Éva; May, Nóra V.; Vayssieres, Lionel; Li, Mingtao; Pap, József S.","Redox-inactive metal single-site molecular complexes: a new generation of electrocatalysts for oxygen evolution?","Catalysis Science & Technology","2021","11","19","6411","6424","10.1039/D1CY01087E","","x-ray","0.71073","MoKα","","0.0546","0.039","","","0.0835","0.0923","","","","","","1.059","","","","has coordinates","270342","2021-11-06","18:30:02",""
"1564529","7.4094","0.0002","9.2008","0.0002","14.0802","0.0003","90","","94.27","0.001","90","","957.22","0.04","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(amino(dimethylamino)methylene)-N-methylmethanaminiumhydrogen carbonate","","- C6 H15 N3 O3 -","- C6 H15 N3 O3 -","- C24 H60 N12 O12 -","4","1","","Mannisto, Jere K.; Pavlovic, Ljiljana; Tiainen, Tony; Nieger, Martin; Sahari, Aleksi; Hopmann, Kathrin H.; Repo, Timo","Mechanistic insights into carbamate formation from CO2 and amines: the role of guanidine–CO2 adducts","Catalysis Science & Technology","2021","11","20","6877","6886","10.1039/D1CY01433A","","","1.54178","CuKα","","0.0332","0.0308","","","0.0783","0.0799","","","","","","1.037","","","","has coordinates","270343","2021-11-06","18:30:11",""
"1564635","12.4856","0.0003","10.6263","0.0002","15.2385","0.0004","90","","98.181","0.002","90","","2001.2","0.08","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Cl N2 Rh -","- C21 H26 Cl N2 Rh -","- C84 H104 Cl4 N8 Rh4 -","4","1","","Sambou, Sasaline Salomon; Hromov, Roman; Ruzhylo, Illia; Wang, Hui; Allandrieu, Audrey; Sabatier, Cassandra; Coppel, Yannick; Daran, Jean-Claude; Gayet, Florence; Labande, Agnès; Manoury, Eric; Poli, Rinaldo","Amphiphilic polymeric nanoreactors containing Rh(i)–NHC complexes for the aqueous biphasic hydrogenation of alkenes","Catalysis Science & Technology","2021","11","20","6811","6824","10.1039/D1CY00554E","","x-ray","1.54184","CuKα","","0.0411","0.0378","","","0.1002","0.1045","","","","","","1.045","","","","has coordinates","270344","2021-11-06","18:30:21",""
"1564636","17.8663","0.0007","15.711","0.0006","9.4111","0.0004","90","","96.939","0.004","90","","2622.32","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 Cl N2 Rh -","- C29 H34 Cl N2 Rh -","- C116 H136 Cl4 N8 Rh4 -","4","1","","Sambou, Sasaline Salomon; Hromov, Roman; Ruzhylo, Illia; Wang, Hui; Allandrieu, Audrey; Sabatier, Cassandra; Coppel, Yannick; Daran, Jean-Claude; Gayet, Florence; Labande, Agnès; Manoury, Eric; Poli, Rinaldo","Amphiphilic polymeric nanoreactors containing Rh(i)–NHC complexes for the aqueous biphasic hydrogenation of alkenes","Catalysis Science & Technology","2021","11","20","6811","6824","10.1039/D1CY00554E","","","0.71073","MoKα","","0.0542","0.0518","","","0.1011","0.1024","","","","","","1.206","","","","has coordinates,has disorder","270344","2021-11-06","18:30:21",""
"1564764","12.6058","0.0003","36.234","0.0008","13.4322","0.0004","90","","91.713","0.001","90","","6132.5","0.3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H48 B F24 N3 Ni -","- C60 H48 B F24 N3 Ni -","- C240 H192 B4 F96 N12 Ni4 -","4","1","","Trofymchuk, Oleksandra S.; Ortega, Daniela E.; Cortés-Arriagada, Diego; Pereira, Alfredo; Daniliuc, Constantin G.; Klitzke, Clecio F.; Santos, Leonardo S.; Rojas, Rene S.","Neutral and cationic methallyl nickel complexes in alkene activation: a combined DFT, ESI-MS and chemometric approach","Catalysis Science & Technology","2021","11","22","7475","7485","10.1039/D1CY01595H","","","0.71073","MoKα","","0.1837","0.0927","","","0.189","0.2411","","","","","","1.029","","","","has coordinates,has disorder","271150","2021-12-07","02:20:39",""
"1564765","14.2641","0.0003","19.0639","0.0004","22.615","0.0005","90","","90","","90","","6149.7","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C56 H76 Cl8 N4 Pd2 -","- C56 H76 Cl8 N4 Pd2 -","- C224 H304 Cl32 N16 Pd8 -","4","0.5","","Prima, Darya O.; Madiyeva, Malena; Burykina, Julia V.; Minyaev, Mikhail E.; Boiko, Daniil A.; Ananikov, Valentine P.","Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study","Catalysis Science & Technology","2021","11","21","7171","7188","10.1039/D1CY01601F","","","0.71073","MoKα","","0.0411","0.0286","","","0.0567","0.0628","","","","","","1.075","","","","has coordinates,has disorder","270345","2021-11-06","18:30:46",""
"1564766","12.4263","0.0003","14.7841","0.0004","16.2288","0.0004","90","","103.567","0.001","90","","2898.23","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C54 H74 Br2 N4 O2 Pd2 -","- C54 H74 Br2 N4 O2 Pd2 -","- C108 H148 Br4 N8 O4 Pd4 -","2","1","","Prima, Darya O.; Madiyeva, Malena; Burykina, Julia V.; Minyaev, Mikhail E.; Boiko, Daniil A.; Ananikov, Valentine P.","Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study","Catalysis Science & Technology","2021","11","21","7171","7188","10.1039/D1CY01601F","","","0.71073","MoKα","","0.0565","0.0404","","","0.0965","0.1079","","","","","","1.022","","","","has coordinates,has disorder","270345","2021-11-06","18:30:46",""
"1564767","14.6417","0.0004","19.3275","0.0006","22.4789","0.0007","90","","90","","90","","6361.2","0.3","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H76 Br4 Cl4 N4 Pd2 -","- C56 H76 Br4 Cl4 N4 Pd2 -","- C224 H304 Br16 Cl16 N16 Pd8 -","4","0.5","","Prima, Darya O.; Madiyeva, Malena; Burykina, Julia V.; Minyaev, Mikhail E.; Boiko, Daniil A.; Ananikov, Valentine P.","Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study","Catalysis Science & Technology","2021","11","21","7171","7188","10.1039/D1CY01601F","","","0.71073","MoKα","","0.0371","0.0304","","","0.0809","0.0849","","","","","","1.037","","","","has coordinates,has disorder","270345","2021-11-06","18:30:46",""
"1564768","12.5373","0.0003","15.0465","0.0003","16.1547","0.0003","90","","100.064","0.001","90","","3000.57","0.11","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55 H74 Cl2 I4 N4 Pd2 -","- C55 H74 Cl2 I4 N4 Pd2 -","- C110 H148 Cl4 I8 N8 Pd4 -","2","1","","Prima, Darya O.; Madiyeva, Malena; Burykina, Julia V.; Minyaev, Mikhail E.; Boiko, Daniil A.; Ananikov, Valentine P.","Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study","Catalysis Science & Technology","2021","11","21","7171","7188","10.1039/D1CY01601F","","","0.71073","MoKα","","0.0197","0.0185","","","0.0412","0.0417","","","","","","1.086","","","","has coordinates,has disorder","270345","2021-11-06","18:30:46",""
"1564769","29.8011","0.0004","13.1568","0.0002","30.6277","0.0004","90","","95.8028","0.0006","90","","11947.2","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54.5 H75 Cl3 N4 O2 Pd2 -","- C54.5 H75 Cl3 N4 O2 Pd2 -","- C436 H600 Cl24 N32 O16 Pd16 -","8","1","","Prima, Darya O.; Madiyeva, Malena; Burykina, Julia V.; Minyaev, Mikhail E.; Boiko, Daniil A.; Ananikov, Valentine P.","Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study","Catalysis Science & Technology","2021","11","21","7171","7188","10.1039/D1CY01601F","","","0.71073","MoKα","","0.0484","0.0375","","","0.0842","0.092","","","","","","1.017","","","","has coordinates,has disorder","270345","2021-11-06","18:30:46",""
"1564770","25.3642","0.0007","12.2415","0.0003","18.7483","0.0005","90","","105.03","0.001","90","","5622.1","0.3","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H74 I2 N4 O2 Pd2 -","- C54 H74 I2 N4 O2 Pd2 -","- C216 H296 I8 N16 O8 Pd8 -","4","0.5","","Prima, Darya O.; Madiyeva, Malena; Burykina, Julia V.; Minyaev, Mikhail E.; Boiko, Daniil A.; Ananikov, Valentine P.","Evidence for “cocktail”-type catalysis in Buchwald–Hartwig reaction. A mechanistic study","Catalysis Science & Technology","2021","11","21","7171","7188","10.1039/D1CY01601F","","","0.71073","MoKα","","0.0436","0.0337","","","0.0617","0.0661","","","","","","1.059","","","","has coordinates,has disorder","270345","2021-11-06","18:30:46",""
"1565037","12.4748","0.0008","16.3845","0.0011","21.7988","0.0014","90","","94.3271","0.0017","90","","4442.8","0.5","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Cp*Ir(pba)Cl]","4-(picolinamido)benzoic acid pentamethylcyclopentadiene iridium complex","","- C23 H24 Cl Ir N2 O3 -","- C23 H24 Cl Ir N2 O3 -","- C184 H192 Cl8 Ir8 N16 O24 -","8","2","","Zhao, Li-Jun; Yin, Zequn; Shi, Yusheng; Sun, Wen; Sun, Libo; Su, Huijuan; Sun, Xun; Zhang, Weiling; Xia, Linyan; Qi, Caixia","A highly active Cp*Ir complex with an anionic N,N-donor chelate ligand catalyzes the robust regeneration of NADH under physiological conditions","Catalysis Science & Technology","2021","11","24","7982","7991","10.1039/D1CY01458G","","","0.71073","MoKα","","0.0862","0.0493","","","0.1475","0.1657","","","","","","1.1","","","","has coordinates","271827","2022-01-06","20:41:01",""
"1565038","10.2605","0.0002","15.2842","0.0003","26.1552","0.0005","90","","90","","90","","4101.75","0.14","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H44 F8 Mn N6 O6 S2 -","- C36 H43.9999 F8 Mn N6 O6 S2 -","- C144 H176 F32 Mn4 N24 O24 S8 -","4","1","","Masferrer-Rius, Eduard; Li, Fanshi; Lutz, Martin; Klein Gebbink, Robertus J. M.","Exploration of highly electron-rich manganese complexes in enantioselective oxidation catalysis; a focus on enantioselective benzylic oxidation","Catalysis Science & Technology","2021","11","23","7751","7763","10.1039/D1CY01642C","","","0.71073","MoKα","","0.0461","0.038","","","0.0988","0.1031","","","","","","1.045","","","","has coordinates,has disorder","271152","2021-12-07","02:21:05",""
"1565039","10.2594","0.0003","15.1887","0.0004","25.5178","0.0005","90","","90","","90","","3976.36","0.17","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H48 F6 Fe N6 O7 S2 -","- C34 H48 F6 Fe N6 O7 S2 -","- C136 H192 F24 Fe4 N24 O28 S8 -","4","1","","Masferrer-Rius, Eduard; Li, Fanshi; Lutz, Martin; Klein Gebbink, Robertus J. M.","Exploration of highly electron-rich manganese complexes in enantioselective oxidation catalysis; a focus on enantioselective benzylic oxidation","Catalysis Science & Technology","2021","11","23","7751","7763","10.1039/D1CY01642C","","","0.71073","MoKα","","0.0541","0.0397","","","0.0931","0.0981","","","","","","1.059","","","","has coordinates,has disorder","271152","2021-12-07","02:21:05",""
"1565040","5.9384","0.0001","5.3053","0.0001","15.9518","0.0004","90","","93.289","0.001","90","","501.734","0.018","170","","170","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H12 F N O3 -","- C10 H12 F N O3 -","- C20 H24 F2 N2 O6 -","2","1","","Zhang, Rui; Tan, Jiamu; Luo, Zhenzhen; Dong, Haihong; Ma, Ningshan; Liao, Cangsong","Stereo-selective synthesis of non-canonical γ-hydroxy-α-amino acids by enzymatic carbon–carbon bond formation","Catalysis Science & Technology","2021","11","22","7380","7385","10.1039/D1CY00955A","","","1.54178","CuKα","","0.0268","0.026","","","0.0656","0.0676","","","","","","1.095","","","","has coordinates","271151","2021-12-07","02:20:50",""
"1565138","7.94037","0.00015","10.1189","0.0002","12.8889","0.0003","87.2665","0.0019","76.201","0.002","70.5516","0.0019","947.75","0.04","169.99","0.11","169.99","0.11","","","","","","","","6","P -1","-P 1","2","","","","- C16 H23 Br Mn N3 O4 -","- C16 H23 Br Mn N3 O4 -","- C32 H46 Br2 Mn2 N6 O8 -","2","1","","Wang, Zheng; Lin, Qing; Ma, Ning; Liu, Song; Han, Mingyang; Yan, Xiuli; Liu, Qingbin; Solan, Gregory A.; Sun, Wen-Hua","Direct synthesis of ring-fused quinolines and pyridines catalyzed by NNHY-ligated manganese complexes (Y = NR2 or SR)","Catalysis Science & Technology","2021","11","24","8026","8036","10.1039/D1CY01945G","","x-ray","1.54184","CuKα","","0.0328","0.0324","","","0.0892","0.0894","","","","","","1.0285","","","","has coordinates","271826","2022-01-06","20:40:53",""
"1565139","7.71788","0.00015","10.1753","0.0002","13.2154","0.0002","103.067","0.0016","101.353","0.0015","108.667","0.0017","916.12","0.03","169.98","0.1","169.98","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C16 H20 Br Mn N2 O3 S -","- C16 H20 Br Mn N2 O3 S -","- C32 H40 Br2 Mn2 N4 O6 S2 -","2","1","","Wang, Zheng; Lin, Qing; Ma, Ning; Liu, Song; Han, Mingyang; Yan, Xiuli; Liu, Qingbin; Solan, Gregory A.; Sun, Wen-Hua","Direct synthesis of ring-fused quinolines and pyridines catalyzed by NNHY-ligated manganese complexes (Y = NR2 or SR)","Catalysis Science & Technology","2021","11","24","8026","8036","10.1039/D1CY01945G","","x-ray","1.54184","CuKα","","0.0341","0.0337","","","0.0915","0.0919","","","","","","1.0414","","","","has coordinates","271826","2022-01-06","20:40:53",""
"1565140","9.1878","0.0018","28.171","0.006","10.117","0.002","90","","105.67","0.03","90","","2521.3","1","173.15","","173.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Br Mn N2 O3 P -","- C26 H24 Br Mn N2 O3 P -","- C104 H96 Br4 Mn4 N8 O12 P4 -","4","1","","Wang, Zheng; Lin, Qing; Ma, Ning; Liu, Song; Han, Mingyang; Yan, Xiuli; Liu, Qingbin; Solan, Gregory A.; Sun, Wen-Hua","Direct synthesis of ring-fused quinolines and pyridines catalyzed by NNHY-ligated manganese complexes (Y = NR2 or SR)","Catalysis Science & Technology","2021","11","24","8026","8036","10.1039/D1CY01945G","","","0.71073","MoKα","","0.082","0.0806","","","0.1849","0.1859","","","","","","1.064","","","","has coordinates","271826","2022-01-06","20:40:53",""
"1565581","11.0895","0.0003","18.9868","0.0005","34.9643","0.001","90","","90.0597","0.001","90","","7361.9","0.3","101","2","101","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H41 B9 Cl3 P2 Ru -","- C33 H41 B9 Cl3 P2 Ru -","- C264 H328 B72 Cl24 P16 Ru8 -","8","2","","Grishin, Ivan D.; Zimina, Anastasiya M.; Anufriev, Sergey A.; Knyazeva, Nadezhda A.; Piskunov, Alexander V.; Dolgushin, Fedor M.; Sivaev, Igor B.","Synthesis and Catalytic Properties of Novel Ruthenacarboranes Based on nido-[5-Me-7,8-C2B9H10]2− and nido-[5,6-Me2-7,8-C2B9H9]2− Dicarbollide Ligands","Catalysts","2021","11","11","1409","","10.3390/catal11111409","","","0.71073","MoKα","","0.0731","0.0474","","","0.0963","0.1088","","","","","","1.029","","","","has coordinates,has disorder","271240","2021-12-07","11:27:18",""
"1565582","16.8803","0.001","20.5774","0.0012","20.9312","0.0012","90","","106.242","0.002","90","","6980.3","0.7","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 B9 Cl P2 Ru -","- C32 H44 B9 Cl P2 Ru -","- C256 H352 B72 Cl8 P16 Ru8 -","8","2","","Grishin, Ivan D.; Zimina, Anastasiya M.; Anufriev, Sergey A.; Knyazeva, Nadezhda A.; Piskunov, Alexander V.; Dolgushin, Fedor M.; Sivaev, Igor B.","Synthesis and Catalytic Properties of Novel Ruthenacarboranes Based on nido-[5-Me-7,8-C2B9H10]2− and nido-[5,6-Me2-7,8-C2B9H9]2− Dicarbollide Ligands","Catalysts","2021","11","11","1409","","10.3390/catal11111409","","","0.71073","MoKα","","0.0769","0.0419","","","0.0774","0.0918","","","","","","1.024","","","","has coordinates,has disorder","271241","2021-12-07","11:28:57",""
"1565583","13.9369","0.0018","12.4716","0.0016","20.085","0.003","90","","93.786","0.004","90","","3483.5","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 B9 Cl P2 Ru -","- C32 H41 B9 Cl P2 Ru -","- C128 H164 B36 Cl4 P8 Ru4 -","4","1","","Grishin, Ivan D.; Zimina, Anastasiya M.; Anufriev, Sergey A.; Knyazeva, Nadezhda A.; Piskunov, Alexander V.; Dolgushin, Fedor M.; Sivaev, Igor B.","Synthesis and Catalytic Properties of Novel Ruthenacarboranes Based on nido-[5-Me-7,8-C2B9H10]2− and nido-[5,6-Me2-7,8-C2B9H9]2− Dicarbollide Ligands","Catalysts","2021","11","11","1409","","10.3390/catal11111409","","","0.71073","MoKα","","0.0715","0.057","","","0.0943","0.0985","","","","","","1.177","","","","has coordinates,has disorder","271242","2021-12-07","11:29:51",""
"1565813","14.4504","0.0016","14.4504","0.0016","7.42607","0.00023","90","","90","","120","","1342.9","0.2","300","","","","","","","","","","","3","P 63","P 6c","173","","","","- Fe7 O38 P11 -","- Fe7 O38 P11 -","- Fe14 O76 P22 -","2","0.333333","","Goj, Pawel; Wajda, Aleksandra; Blachowski, Artur; Stoch, Pawel","A new iron-phosphate compound (Fe7P11O38) obtained by pyrophosphate stoichiometric glass devitrification","Scientific Reports","2021","11","1","22957","","10.1038/s41598-021-02471-0","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","271539","2021-12-20","15:52:24",""
"1566037","18.3434","0.0017","6.7313","0.0008","10.8844","0.0012","90","","90","","90","","1344","0.3","296","2","296","2","","","","","","","","4","P n n m","-P 2 2n","58","Bredigite","","","- Ca7 Mg O16 Si4 -","- Ca7 Mg O16 Si4 -","- Ca28 Mg4 O64 Si16 -","4","0.5","","Bao, Xinjian; He, Mingyue; Zhang, Zhigang; Liu, Xi","Crystal Structure and Some Thermodynamic Properties of Ca7MgSi4O16-Bredigite","Crystals","2020","11","1","14","","10.3390/cryst11010014","","","0.71073","MoKα","","0.0675","0.0472","","","0.1157","0.1289","","","","","","1.004","","","","has coordinates","272127","2022-01-19","09:39:56",""
"1566038","11.4728","0.0003","14.2115","0.0004","16.0992","0.0004","92.018","0.002","91.054","0.002","112.546","0.002","2421.34","0.12","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C56 H45 Cu F6 N2 O1.5 P3 -","- C56 H45 Cu F6 N2 O1.5 P3 -","- C112 H90 Cu2 F12 N4 O3 P6 -","2","1","","Arnosti, Nina; Meyer, Marco; Prescimone, Alessandro; Constable, Edwin; Housecroft, Catherine","Heteroleptic [Cu(P^P)(N^N)][PF6] Complexes: Effects of Isomer Switching from 2,2′-biquinoline to 1,1′-biisoquinoline","Crystals","2021","11","2","185","","10.3390/cryst11020185","","x-ray","1.34143","GaKα","","0.0468","0.0457","","","0.1252","0.1269","","","","","","1.032","","","","has coordinates,has disorder","272128","2022-01-19","09:48:42",""
"1566039","8.9307","0.0004","28.9448","0.0012","16.2421","0.0007","90","","105.674","0.002","90","","4042.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[PrL3(MeOH)2]","","","- C44 H32 F9 O8 Pr -","- C44 H32 F9 O8 Pr -","- C176 H128 F36 O32 Pr4 -","4","1","","Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Vicente, Ramon; Tubau, Ànnia; Ferran, Arnau; Massoud, Salah S.","Structural Characterization, Magnetic and Luminescent Properties of Praseodymium(III)-4,4,4-Trifluoro-1-(2-Naphthyl)Butane-1,3-Dionato(1-) Complexes","Crystals","2021","11","2","179","","10.3390/cryst11020179","","","0.71073","MoKα","","0.0533","0.0437","","","0.0829","0.0853","","","","","","1.243","","","","has coordinates","272129","2022-01-19","09:58:38",""
"1566040","11.9059","0.0004","15.3694","0.0005","16.5675","0.0006","79.097","0.002","70.308","0.002","67.575","0.002","2632.08","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","[PrL3(bipy)2]","","","- C62 H40 F9 N4 O6 Pr -","- C62 H40 F9 N4 O6 Pr -","- C124 H80 F18 N8 O12 Pr2 -","2","1","","Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Vicente, Ramon; Tubau, Ànnia; Ferran, Arnau; Massoud, Salah S.","Structural Characterization, Magnetic and Luminescent Properties of Praseodymium(III)-4,4,4-Trifluoro-1-(2-Naphthyl)Butane-1,3-Dionato(1-) Complexes","Crystals","2021","11","2","179","","10.3390/cryst11020179","","","0.71073","MoKα","","0.0318","0.0276","","","0.0697","0.0728","","","","","","0.991","","","","has coordinates,has disorder","272129","2022-01-19","09:58:39",""
"1566041","13.2021","0.0005","14.6509","0.0006","24.8108","0.001","90","","98.938","0.002","90","","4740.7","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[PrL3(4,4'-dimethoxy-bipy]","","","- C54 H36 F9 N2 O8 Pr -","- C54 H36 F9 N2 O8 Pr -","- C216 H144 F36 N8 O32 Pr4 -","4","1","","Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Vicente, Ramon; Tubau, Ànnia; Ferran, Arnau; Massoud, Salah S.","Structural Characterization, Magnetic and Luminescent Properties of Praseodymium(III)-4,4,4-Trifluoro-1-(2-Naphthyl)Butane-1,3-Dionato(1-) Complexes","Crystals","2021","11","2","179","","10.3390/cryst11020179","","","0.71073","MoKα","","0.029","0.026","","","0.0602","0.0622","","","","","","1.146","","","","has coordinates","272129","2022-01-19","09:58:39",""
"1566042","20.1848","0.0006","11.9034","0.0003","19.6102","0.0006","90","","90","","90","","4711.7","0.2","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","[PrL3(5,5'-Me2bipy)]","","","- C54 H36 F9 N2 O6 Pr -","- C54 H36 F9 N2 O6 Pr -","- C216 H144 F36 N8 O24 Pr4 -","4","1","","Mautner, Franz A.; Bierbaumer, Florian; Fischer, Roland C.; Vicente, Ramon; Tubau, Ànnia; Ferran, Arnau; Massoud, Salah S.","Structural Characterization, Magnetic and Luminescent Properties of Praseodymium(III)-4,4,4-Trifluoro-1-(2-Naphthyl)Butane-1,3-Dionato(1-) Complexes","Crystals","2021","11","2","179","","10.3390/cryst11020179","","","0.71073","MoKα","","0.0329","0.0266","","","0.0509","0.0534","","","","","","1.029","","","","has coordinates","272129","2022-01-19","09:58:40",""
"1566043","6.9675","0.001","7.6046","0.0012","20.706","0.003","83.02","0.012","80.403","0.012","83.126","0.012","1068.2","0.3","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H20 Cl N O -","- C28 H20 Cl N O -","- C56 H40 Cl2 N2 O2 -","2","1","","Tan, Zeqing; Zhao, Jian; Sun, Jingzhi; Zhao, Jiaxin; He, Xinrui; Liu, Zhe; Zhu, Lin; Cheng, Xiao; Zhou, Chuanjian","CHCl3-Dependent Emission Color and Jumping Behavior of Cyclic Chalcone Single Crystals: The Halogen Bond Network Effect","Crystals","2021","11","5","530","","10.3390/cryst11050530","","x-ray","0.71073","MoKα","","0.1391","0.0704","","","0.1837","0.2068","","","","","","0.949","","","","has coordinates,has disorder","272130","2022-01-19","10:15:35",""
"1566044","10.1961","0.0016","10.854","0.0016","14.091","0.002","84.387","0.012","87.485","0.012","84.125","0.012","1542.9","0.4","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 Cl7 N O -","- C30 H22 Cl7 N O -","- C60 H44 Cl14 N2 O2 -","2","1","","Tan, Zeqing; Zhao, Jian; Sun, Jingzhi; Zhao, Jiaxin; He, Xinrui; Liu, Zhe; Zhu, Lin; Cheng, Xiao; Zhou, Chuanjian","CHCl3-Dependent Emission Color and Jumping Behavior of Cyclic Chalcone Single Crystals: The Halogen Bond Network Effect","Crystals","2021","11","5","530","","10.3390/cryst11050530","","","0.71073","MoKα","","0.1272","0.0841","","","0.2234","0.2609","","","","","","1.067","","","","has coordinates","272130","2022-01-19","10:15:36",""
"1566634","6.356","0.00021","6.356","","6.356","","90","","90","","90","","256.774","0.008","","","","","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","Ice Ic","","- D2 O -","- D2 O -","- D16 O8 -","8","0.0416667","","Komatsu, K.; Machida, S.; Noritake, F.; Hattori, T.; Sano-Furukawa, A.; Yamane, R.; Yamashita, K.; Kagi, H.","Ice Ic without stacking disorder by evacuating hydrogen from hydrogen hydrate","Nature Communications","2020","11","","464","","","","","","","","","","","","","","","","","","","","","","","has coordinates","273828","2022-03-20","01:01:03",""
"1568593","17.8167","0.0003","17.9076","0.0003","19.7519","0.0004","116.936","0.002","116.807","0.002","90.012","0.001","4846","0.2","130","2","130","2","","","","","","","","5","P 1","P 1","1","","","","- C96 H110 Cl42 Mo18 O97 -","- C96 H110 Cl42 Mo18 O97 -","- C96 H110 Cl42 Mo18 O97 -","1","1","","Ivanov, Anton A.; Abramov, Pavel A.; Haouas, Mohamed; Molard, Yann; Cordier, Stéphane; Falaise, Clément; Cadot, Emmanuel; Shestopalov, Michael A.","Supramolecular Host–Guest Assemblies of [M6Cl14]2–, M = Mo, W, Clusters with γ-Cyclodextrin for the Development of CLUSPOMs","Inorganics","2023","11","2","77","","10.3390/inorganics11020077","","x-ray","0.71073","MoKα","","0.1486","0.1443","","","0.3181","0.3202","","","","","","1.091","","","","has coordinates,has disorder","281630","2023-03-05","07:50:36",""
"1568594","23.806","0.001","23.806","0.001","22.831","0.001","90","","90","","90","","12938.9","1","200.15","","200.15","","","","","","","","","5","P 4 21 2","P 4ab 2ab","90","","","","- C144 H168 Cl14 Mo6 O140 -","- C144 H168 Cl14 Mo6 O138 -","- C288 H336 Cl28 Mo12 O276 -","2","0.25","","Ivanov, Anton A.; Abramov, Pavel A.; Haouas, Mohamed; Molard, Yann; Cordier, Stéphane; Falaise, Clément; Cadot, Emmanuel; Shestopalov, Michael A.","Supramolecular Host–Guest Assemblies of [M6Cl14]2–, M = Mo, W, Clusters with γ-Cyclodextrin for the Development of CLUSPOMs","Inorganics","2023","11","2","77","","10.3390/inorganics11020077","","","0.71073","MoKα","","0.0811","0.0749","","","0.2134","0.2199","","","","","","1.038","","","","has coordinates","281630","2023-03-05","07:50:39",""
"1568595","35.7254","0.0005","35.7254","0.0005","34.3472","0.0012","90","","90","","90","","43837.5","1.8","130","2","130","2","","","","","","","","5","I 4 2 2","I 4 2","97","","","","- C192 H224 Cl42 O189.6 W18 -","- C192 H224 Cl42 O189.6 W18 -","- C768 H896 Cl168 O758.4 W72 -","4","0.25","","Ivanov, Anton A.; Abramov, Pavel A.; Haouas, Mohamed; Molard, Yann; Cordier, Stéphane; Falaise, Clément; Cadot, Emmanuel; Shestopalov, Michael A.","Supramolecular Host–Guest Assemblies of [M6Cl14]2–, M = Mo, W, Clusters with γ-Cyclodextrin for the Development of CLUSPOMs","Inorganics","2023","11","2","77","","10.3390/inorganics11020077","","x-ray","0.71073","MoKα","","0.1326","0.0657","","","0.1563","0.1922","","","","","","1.026","","","","has coordinates,has disorder","281630","2023-03-05","07:50:42",""
"1568983","3.8141","0.0003","15.617","0.006","2.9664","0.0006","90","","90","","90","","176.69","0.08","","","298","","","","100","","","","","4","C m c m","-C 2c 2","63","K0.75Li0.25Ti1.75O4","","","- K0.75 Li0.25 O4 Ti1.75 -","- K0.742 Li0.25 O4 Ti1.75 -","- K1.484 Li0.5 O8 Ti3.5 -","2","0.125","","Makise, K.; Takei, T.; Saito, N.; Yamanaka, J.; Kumada, N.; Mori, H.; Ito, N.; Goto, T.","Crystal structure and ion-exchange properties of a lepidocrocite-like sodium titanate : K0.75Li0.25Ti1.75O4","Journal of Asian Ceramic Societies","2023","11","","170","177","10.1080/21870764.2023.2173849","","","","","","","","","","","","","","","","","","","","","has coordinates","282927","2023-05-01","09:32:53",""
"1568984","3.783","0.0003","14.578","0.005","2.9723","0.0003","90","","90","","90","","163.92","0.06","","","473","","","","100","","","","","4","C m c m","-C 2c 2","63","Na0.75Li0.25Ti1.75O4 at 200 C","","","- Li0.25 Na0.75 O4 Ti1.75 -","- Li0.25 Na0.672 O4 Ti1.75 -","- Li0.5 Na1.344 O8 Ti3.5 -","2","0.125","","Makise, K.; Takei, T.; Saito, N.; Yamanaka, J.; Kumada, N.; Mori, H.; Ito, N.; Goto, T.","Crystal structure and ion-exchange properties of a lepidocrocite-like sodium titanate : Na0.75Li0.25Ti1.75O4 at 200 C","Journal of Asian Ceramic Societies","2023","11","","170","177","10.1080/21870764.2023.2173849","","","","","","","","","","","","","","","","","","","","","has coordinates","282928","2023-05-01","09:33:42",""
"1568985","2.984","0.0001","3.7997","0.00001","11.4992","0.0002","90","","90","","90","","130.381","0.005","","","298","","","","100","","","","","5","P m m 2","P 2 -2","25","Na0.75Li0.25Ti1.75O4 2H2O","","","- H2 Li0.25 Na0.75 O6 Ti1.75 -","- Li0.25 Na0.627 O6 Ti1.75 -","- Li0.25 Na0.627 O6 Ti1.75 -","1","0.25","","Makise, K.; Takei, T.; Saito, N.; Yamanaka, J.; Kumada, N.; Mori, H.; Ito, N.; Goto, T.","Crystal structure and ion-exchange properties of a lepidocrocite-like sodium titanate : Na0.75Li0.25Ti1.75O4-2H2O","Journal of Asian Ceramic Societies","2023","11","","170","177","10.1080/21870764.2023.2173849","","","","","","","","","","","","","","","","","","","","","has coordinates","282929","2023-05-01","09:34:51",""
"1569040","28.7667","0.001","31.0967","0.0011","22.7773","0.0008","90","","90","","90","","20375.4","1.2","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C23 H21 I2 N3 O5 Zn -","- C23 H21 I2 N3 O5 Zn -","- C736 H672 I64 N96 O160 Zn32 -","32","2","","Zaguzin, Alexander S.; Sukhikh, Taisiya; Sokolov, Maxim N.; Fedin, Vladimir P.; Adonin, Sergey A.","Zn(II) Three-Dimensional Metal-Organic Frameworks Based on 2,5-Diiodoterephthalate and N,N Linkers: Structures and Features of Sorption Behavior","Inorganics","2023","11","5","192","","10.3390/inorganics11050192","","","0.71073","MoKα","","0.0862","0.0615","","","0.1406","0.1565","","","","","","1.031","","","","has coordinates,has disorder","283525","2023-05-05","15:42:39",""
"1569041","28.6666","0.0011","31.2803","0.0015","22.6871","0.0011","90","","90","","90","","20343.5","1.6","150","2","150","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C23 H19 I2 N3 O5 Zn -","- C23 H19 I2 N3 O5 Zn -","- C736 H608 I64 N96 O160 Zn32 -","32","2","","Zaguzin, Alexander S.; Sukhikh, Taisiya; Sokolov, Maxim N.; Fedin, Vladimir P.; Adonin, Sergey A.","Zn(II) Three-Dimensional Metal-Organic Frameworks Based on 2,5-Diiodoterephthalate and N,N Linkers: Structures and Features of Sorption Behavior","Inorganics","2023","11","5","192","","10.3390/inorganics11050192","","","0.71073","MoKα","","0.0543","0.0449","","","0.0951","0.0999","","","","","","1.048","","","","has coordinates,has disorder","283526","2023-05-05","15:43:25",""
"1569042","12.8452","0.0005","22.8123","0.0008","13.0509","0.0005","90","","115.75","0.002","90","","3444.5","0.2","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H14.5 Ag3 F18 N7 O1.25 -","- C29 H14.5 Ag3 F18 N7 O1.25 -","- C116 H58 Ag12 F72 N28 O5 -","4","1","","Olbrykh, Arina; Titov, Aleksei; Smol’yakov, Alexander; Filippov, Oleg; Shubina, Elena S.","Exploring the Interaction of Pyridine-Based Chalcones with Trinuclear Silver(I) Pyrazolate Complex","Inorganics","2023","11","4","175","","10.3390/inorganics11040175","","","0.71073","MoKα","","0.0512","0.0388","","","0.0888","0.0956","","","","","","1.032","","","","has coordinates,has disorder","283527","2023-05-05","15:43:53",""
"1569043","13.1222","0.0008","14.3897","0.001","20.6671","0.0014","90","","91.486","0.003","90","","3901.1","0.4","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H18 Ag3 F18 N7 O -","- C37 H18 Ag3 F18 N7 O -","- C148 H72 Ag12 F72 N28 O4 -","4","1","","Olbrykh, Arina; Titov, Aleksei; Smol’yakov, Alexander; Filippov, Oleg; Shubina, Elena S.","Exploring the Interaction of Pyridine-Based Chalcones with Trinuclear Silver(I) Pyrazolate Complex","Inorganics","2023","11","4","175","","10.3390/inorganics11040175","","","0.71073","MoKα","","0.0462","0.0424","","","0.0955","0.0978","","","","","","1.151","","","","has coordinates,has disorder","283528","2023-05-05","15:44:26",""
"1569044","7.8326","0.0002","11.0556","0.0002","12.8446","0.0003","114.754","0.001","102.718","0.001","94.914","0.001","965.22","0.04","100","","100","","","","","","","","","6","P 1","P 1","1","","","","- C37 H18 Ag3 F18 N7 O -","- C37 H18 Ag3 F18 N7 O -","- C37 H18 Ag3 F18 N7 O -","1","1","","Olbrykh, Arina; Titov, Aleksei; Smol’yakov, Alexander; Filippov, Oleg; Shubina, Elena S.","Exploring the Interaction of Pyridine-Based Chalcones with Trinuclear Silver(I) Pyrazolate Complex","Inorganics","2023","11","4","175","","10.3390/inorganics11040175","","","0.71073","MoKα","","0.0155","0.0153","","","0.0367","0.0368","","","","","","1.037","","","","has coordinates","283529","2023-05-05","15:44:41",""
"1569456","8.15286","0.00019","18.933","0.0004","28.0248","0.0007","90","","95.618","0.002","90","","4305.08","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H39 Br2 Cl3 N6 Pd2 S -","- C40 H39 Br2 Cl3 N6 Pd2 S -","- C160 H156 Br8 Cl12 N24 Pd8 S4 -","4","1","","Popov, Roman A.; Novikov, Alexander S.; Suslonov, Vitalii V.; Boyarskiy, Vadim P.","Molecular Switching through Chalcogen-Bond-Induced Isomerization of Binuclear (Diaminocarbene)PdII Complexes","Inorganics","2023","11","6","255","","10.3390/inorganics11060255","","","0.71073","MoKα","","0.0334","0.0264","","","0.0573","0.06","","","","","","1.072","","","","has coordinates","285001","2023-07-05","22:20:15",""
"1569457","16.654","0.0004","16.7752","0.0003","15.361","0.0003","90","","111.854","0.003","90","","3983.06","0.17","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H38 I2 N6 Pd2 S -","- C39 H38 I2 N6 Pd2 S -","- C156 H152 I8 N24 Pd8 S4 -","4","1","","Popov, Roman A.; Novikov, Alexander S.; Suslonov, Vitalii V.; Boyarskiy, Vadim P.","Molecular Switching through Chalcogen-Bond-Induced Isomerization of Binuclear (Diaminocarbene)PdII Complexes","Inorganics","2023","11","6","255","","10.3390/inorganics11060255","","","0.71073","MoKα","","0.0373","0.0287","","","0.0629","0.0673","","","","","","1.064","","","","has coordinates","285002","2023-07-05","22:20:43",""
"1569458","18.3186","0.0003","18.3186","0.0003","11.6298","0.0004","90","","90","","90","","3902.62","0.16","290","2","290","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C15 H12 N4 O4 Zn -","- C15 H12 N4 O4 Zn -","- C120 H96 N32 O32 Zn8 -","8","1","","Matveevskaya, Vladislava V.; Pavlov, Dmitry I.; Ryadun, Alexey A.; Fedin, Vladimir P.; Potapov, Andrei S.","Synthesis, Crystal Structure, and Luminescent Sensing Properties of a Supramolecular 3D Zinc(II) Metal–Organic Framework with Terephthalate and Bis(imidazol-1-yl)methane Linkers","Inorganics","2023","11","7","264","","10.3390/inorganics11070264","","x-ray","0.71073","MoKα","","0.0487","0.0358","","","0.0898","0.0965","","","","","","1.047","","","","has coordinates,has disorder","285003","2023-07-05","22:21:22",""
"1570214","13.6447","0.0015","16.79","0.002","18.809","0.002","111.312","0.004","99.798","0.003","90.068","0.004","3946.5","0.8","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H50 Au Cl2 N3 -","- C45 H50 Au Cl2 N3 -","- C180 H200 Au4 Cl8 N12 -","4","2","","Au-Yeung, Cathay Chai; Leung, Ming-Yi; Lai, Shiu-Lun; Cheng, Shun-Cheung; Li, Lok-Kwan; Tang, Man-Chung; Kwok, Wing-Kei; Ko, Chi-Chiu; Chan, Mei-Yee; Yam, Vivian Wing-Wah","Thermally activated delayed fluorescence tetradentate ligand-containing gold(III) complexes with preferential molecular orientation and their application in organic light-emitting devices.","Materials horizons","2024","11","1","151","162","10.1039/d3mh00910f","","x-ray","0.71073","MoKα","","0.065","0.0428","","","0.0888","0.0999","","","","","","1.083","","","","has coordinates","289651","2024-02-04","12:33:33",""
"1570251","6.0975","0.0002","8.7626","0.0004","14.6204","0.0006","95.01","0.002","100.127","0.001","90.578","0.002","765.8","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H10 Ag N3 O S2 -","- C14 H10 Ag N3 O S2 -","- C28 H20 Ag2 N6 O2 S4 -","2","1","","Altowyan, Mezna Saleh; Fathalla, Eman M.; Albering, Jörg H.; Abu-Youssef, Morsy A. M.; Kassem, Taher S.; Barakat, Assem; Haukka, Matti; Badr, Ahmed M. A.; Soliman, Saied M.","Synthesis, X-ray Structures and Hirshfeld Analysis of Two Novel Thiocyanate-Bridged Ag(I) Coordination Polymers","Inorganics","2023","11","10","417","","10.3390/inorganics11100417","","","0.71073","MoKα","","0.0182","0.0174","","","0.0448","0.045","","","","","","1.078","","","","has coordinates","287437","2023-11-06","19:07:31",""
"1570252","27.2079","0.0009","6.0833","0.0002","7.5732","0.0002","90","","90","","90","","1253.47","0.07","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C13 H9 Ag N2 O S -","- C13 H9 Ag N2 O S -","- C52 H36 Ag4 N8 O4 S4 -","4","1","","Altowyan, Mezna Saleh; Fathalla, Eman M.; Albering, Jörg H.; Abu-Youssef, Morsy A. M.; Kassem, Taher S.; Barakat, Assem; Haukka, Matti; Badr, Ahmed M. A.; Soliman, Saied M.","Synthesis, X-ray Structures and Hirshfeld Analysis of Two Novel Thiocyanate-Bridged Ag(I) Coordination Polymers","Inorganics","2023","11","10","417","","10.3390/inorganics11100417","","","0.71073","MoKα","","0.0244","0.0228","","","0.058","0.0589","","","","","","0.971","","","","has coordinates","287438","2023-11-06","19:07:54",""
"1570270","9.4947","0.0002","15.7979","0.0003","14.4936","0.0003","90","","93.65","0.002","90","","2169.58","0.08","300","0.1","300","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H42 Cl2 Cu2 N6 O15 -","- C38 H42 Cl2 Cu2 N6 O15 -","- C76 H84 Cl4 Cu4 N12 O30 -","2","1","","Haldar, Rajashi; Kumar, Ajay; Mandal, Dipankar; Shanmugam, Maheswaran","Deciphering the anisotropic energy harvesting responses of an above room temperature molecular ferroelectric copper(II) complex single crystal.","Materials horizons","2024","11","2","454","459","10.1039/d3mh01336g","","x-ray","0.71073","MoKα","","0.0451","0.0382","","","0.0905","0.0955","","","","","","1.027","","","","has coordinates","289652","2024-02-04","12:33:43",""
"1570271","9.3868","0.0002","15.5499","0.0003","14.4461","0.0002","90","","93.944","0.002","90","","2103.61","0.07","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H42 Cl2 Cu2 N6 O15 -","- C38 H42 Cl2 Cu2 N6 O15 -","- C76 H84 Cl4 Cu4 N12 O30 -","2","1","","Haldar, Rajashi; Kumar, Ajay; Mandal, Dipankar; Shanmugam, Maheswaran","Deciphering the anisotropic energy harvesting responses of an above room temperature molecular ferroelectric copper(II) complex single crystal.","Materials horizons","2024","11","2","454","459","10.1039/d3mh01336g","","x-ray","0.71073","MoKα","","0.0325","0.0285","","","0.0609","0.0629","","","","","","1.029","","","","has coordinates","289652","2024-02-04","12:33:43",""
"1570302","23.295","0.004","10.179","0.002","10.6479","0.0019","90","","97.284","0.006","90","","2504.5","0.8","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H33 F N4 O4 -","- C27 H33 F N4 O4 -","- C108 H132 F4 N16 O16 -","4","1","LQ5053","Chen, An; Cai, Peishan; Peng, Yayun; Guo, Minshan; Su, Yuan; Cai, Ting","The role of alkyl chain length in the melt and solution crystallization of paliperidone aliphatic prodrugs.","IUCrJ","2024","11","Pt 1","23","33","10.1107/S2052252523009582","","","0.71073","MoKα","","0.1746","0.0974","","","0.2334","0.2707","","","","","","1.109","","","","has coordinates","289698","2024-02-05","12:10:56",""
"1570303","26.953","0.011","10.08","0.004","10.753","0.004","90","","92.658","0.012","90","","2918","2","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H41 F N4 O4 -","- C31 H41 F N4 O4 -","- C124 H164 F4 N16 O16 -","4","1","","Chen, An; Cai, Peishan; Peng, Yayun; Guo, Minshan; Su, Yuan; Cai, Ting","The role of alkyl chain length in the melt and solution crystallization of paliperidone aliphatic prodrugs.","IUCrJ","2024","11","Pt 1","23","33","10.1107/S2052252523009582","","","0.71073","MoKα","","0.1921","0.0827","","","0.1807","0.2323","","","","","","1.011","","","","has coordinates","289698","2024-02-05","12:10:57",""
"1570304","31.029","0.003","9.9381","0.001","10.8384","0.0011","90","","99.374","0.003","90","","3297.6","0.6","170","","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H49 F N4 O4 -","- C35 H49 F N4 O4 -","- C140 H196 F4 N16 O16 -","4","1","","Chen, An; Cai, Peishan; Peng, Yayun; Guo, Minshan; Su, Yuan; Cai, Ting","The role of alkyl chain length in the melt and solution crystallization of paliperidone aliphatic prodrugs.","IUCrJ","2024","11","Pt 1","23","33","10.1107/S2052252523009582","","","0.71073","MoKα","","0.1392","0.059","","","0.1112","0.1483","","","","","","1.051","","","","has coordinates","289698","2024-02-05","12:10:57",""
"1570305","34.188","0.003","9.828","0.0009","10.8068","0.0009","90","","92.992","0.003","90","","3626.1","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H57 F N4 O4 -","- C39 H57 F N4 O4 -","- C156 H228 F4 N16 O16 -","4","1","","Chen, An; Cai, Peishan; Peng, Yayun; Guo, Minshan; Su, Yuan; Cai, Ting","The role of alkyl chain length in the melt and solution crystallization of paliperidone aliphatic prodrugs.","IUCrJ","2024","11","Pt 1","23","33","10.1107/S2052252523009582","","","0.71073","MoKα","","0.1155","0.0556","","","0.1165","0.1462","","","","","","1.016","","","","has coordinates","289698","2024-02-05","12:10:57",""
"1570433","5.5541","0.0004","6.6179","0.0011","6.964","0.003","90","","103.835","0.019","90","","248.55","0.12","295","2","295","2","","","3300000","","","","","3","P 1 21/c 1","-P 2ybc","14","","dimethyl ether","","- C2 H6 O -","- C2 H6 O -","- C8 H24 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0776","0.0708","","","0.1861","0.1927","","","","","","1.204","","","","has coordinates","289697","2024-02-05","12:10:00",""
"1570434","5.5277","0.0004","6.527","0.01","6.8941","0.0005","90","","103.869","0.006","90","","241.5","0.4","295","2","295","2","","","3900000","","","","","3","P 1 21/c 1","-P 2ybc","14","","dimethyl ether","","- C2 H6 O -","- C2 H6 O -","- C8 H24 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0728","0.069","","","0.1661","0.1724","","","","","","1.192","","","","has coordinates","289697","2024-02-05","12:10:09",""
"1570435","5.5073","0.0004","6.493","0.005","6.8431","0.0008","90","","103.848","0.008","90","","237.59","0.19","295","2","295","2","","","4300000","","","","","3","P 1 21/c 1","-P 2ybc","14","","dimethyl ether","","- C2 H6 O -","- C2 H6 O -","- C8 H24 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0566","0.0525","","","0.1326","0.1399","","","","","","1.181","","","","has coordinates","289697","2024-02-05","12:10:16",""
"1570436","4.3394","0.0012","8.414","0.002","12.821","0.006","90.55","0.04","93.89","0.06","90.83","0.02","467","0.3","295","2","295","2","","","4500000","","","","","3","P -1","-P 1","2","","dimethyl ether","","- C2 H6 O -","- C2 H6 O -","- C16 H48 O8 -","8","4","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0628","0.0554","","","0.1474","0.1553","","","","","","1.131","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570437","4.2888","0.0017","8.3045","0.0018","12.7912","0.0013","90.249","0.012","93.92","0.02","90.14","0.03","454.5","0.2","295","2","295","2","","","5600000","","","","","3","P -1","-P 1","2","","dimethyl ether","","- C2 H6 O -","- C2 H6 O -","- C16 H48 O8 -","8","4","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.1296","0.1173","","","0.2518","0.2604","","","","","","1.135","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570438","4.25","0.004","8.198","0.003","12.6105","0.0019","90.641","0.019","93.97","0.03","90.04","0.05","438.3","0.4","295","2","295","2","","","7300000","","","","","3","P -1","-P 1","2","","dimethyl ether","","- C2 H6 O -","- C2 H6 O -","- C16 H48 O8 -","8","4","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.1062","0.0793","","","0.1688","0.1868","","","","","","1.055","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570439","6.8268","0.0003","8.1428","0.0017","7.7731","0.0003","90","","93.443","0.004","90","","431.32","0.09","295","2","295","2","","","1850000","","","","","3","P 1 21/c 1","-P 2ybc","14","","diethyl ether","","- C4 H10 O -","- C4 H10 O -","- C16 H40 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0403","0.0353","","","0.095","0.0988","","","","","","1.121","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570440","6.7948","0.0003","8.0952","0.0012","7.7259","0.0002","90","","93.621","0.003","90","","424.12","0.07","295","2","295","2","","","2150000","","","","","3","P 1 21/c 1","-P 2ybc","14","","diethyl ether","","- C4 H10 O -","- C4 H10 O -","- C16 H40 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0367","0.0327","","","0.0883","0.0928","","","","","","1.168","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570441","6.7759","0.0003","8.0552","0.0014","7.6873","0.0002","90","","93.713","0.003","90","","418.7","0.08","295","2","295","2","","","2450000","","","","","3","P 1 21/c 1","-P 2ybc","14","","diethyl ether","","- C4 H10 O -","- C4 H10 O -","- C16 H40 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0421","0.039","","","0.1069","0.111","","","","","","1.138","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570442","6.7612","0.0003","8.0271","0.0015","7.6687","0.0003","90","","93.784","0.004","90","","415.29","0.08","295","2","295","2","","","2650000","","","","","3","P 1 21/c 1","-P 2ybc","14","","diethyl ether","","- C4 H10 O -","- C4 H10 O -","- C16 H40 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0423","0.0388","","","0.1073","0.111","","","","","","1.088","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570443","7.7073","0.0012","4.0885","0.0004","13.233","0.002","90","","93.793","0.016","90","","416.08","0.1","295","2","295","2","","","2650000","","","","","3","I 1 2/a 1","-I 2ya","15","","diethyl ether","","- C4 H10 O -","- C4 H10 O -","- C16 H40 O4 -","4","0.5","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0417","0.0371","","","0.1052","0.1085","","","","","","1.13","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570444","5.1196","0.0004","5.6659","0.001","7.2999","0.0004","97.275","0.008","102.728","0.006","96.747","0.01","202.56","0.04","295","2","295","2","","","2800000","","","","","3","P -1","-P 1","2","","diethyl ether","","- C4 H10 O -","- C4 H10 O -","- C8 H20 O2 -","2","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0419","0.0388","","","0.098","0.1","","","","","","1.179","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570445","5.0809","0.0005","5.6329","0.001","7.2451","0.001","97.382","0.013","102.749","0.01","97.002","0.011","198.13","0.05","295","2","295","2","","","3450000","","","","","3","P -1","-P 1","2","","diethyl ether","","- C4 H10 O -","- C4 H10 O -","- C8 H20 O2 -","2","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.1071","0.1011","","","0.338","0.3608","","","","","","1.788","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570446","5.072","0.003","5.629","0.002","7.215","0.005","97.43","0.05","102.91","0.06","97.15","0.05","196.6","0.2","295","2","295","2","","","3700000","","","","","3","P -1","-P 1","2","","diethyl ether","","- C4 H10 O -","- C4 H10 O -","- C8 H20 O2 -","2","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0553","0.0489","","","0.1344","0.1407","","","","","","1.166","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570447","5.0182","0.0019","5.575","0.003","7.136","0.003","97.36","0.04","102.81","0.03","97.72","0.04","190.31","0.15","295","2","295","2","","","4900000","","","","","3","P -1","-P 1","2","","diethyl ether","","- C4 H10 O -","- C4 H10 O -","- C8 H20 O2 -","2","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0739","0.061","","","0.1665","0.1816","","","","","","1.086","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570448","9.416","0.004","4.1817","0.0003","15.579","0.007","90","","101.23","0.05","90","","601.7","0.4","295","2","295","2","","","1700000","","","","","3","P 1 21/c 1","-P 2ybc","14","","dipropyl ether","","- C6 H14 O -","- C6 H14 O -","- C24 H56 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0661","0.0455","","","0.1296","0.1513","","","","","","1.077","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570449","9.368","0.008","4.1229","0.0004","15.434","0.004","90","","100.84","0.06","90","","585.5","0.5","295","2","295","2","","","2100000","","","","","3","P 1 21/c 1","-P 2ybc","14","","dipropyl ether","","- C6 H14 O -","- C6 H14 O -","- C24 H56 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0723","0.0524","","","0.1255","0.1416","","","","","","1.053","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570450","9.293","0.007","4.0686","0.0002","15.1855","0.001","90","","100.35","0.03","90","","564.8","0.4","295","2","295","2","","","2800000","","","","","3","P 1 21/c 1","-P 2ybc","14","","dipropyl ether","","- C6 H14 O -","- C6 H14 O -","- C24 H56 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0591","0.0456","","","0.1256","0.1447","","","","","","1.082","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570451","9.198","0.009","4.0064","0.0003","14.9459","0.0015","90","","99.54","0.04","90","","543.2","0.5","295","2","295","2","","","3850000","","","","","3","P 1 21/c 1","-P 2ybc","14","","dipropyl ether","","- C6 H14 O -","- C6 H14 O -","- C24 H56 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0424","0.0308","","","0.081","0.09","","","","","","1.111","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570452","9.099","0.012","3.9465","0.0003","14.649","0.008","90","","98.32","0.1","90","","520.5","0.8","295","2","295","2","","","5300000","","","","","3","P 1 21/c 1","-P 2ybc","14","","dipropyl ether","","- C6 H14 O -","- C6 H14 O -","- C24 H56 O4 -","4","1","","Sacharczuk, Natalia; Olejniczak, Anna; Bujak, Maciej; Dziubek, Kamil Filip; Katrusiak, Andrzej; Podsiadło, Marcin","Conformation-aggregation interplay in the simplest aliphatic ethers probed under high pressure.","IUCrJ","2024","11","Pt 1","57","61","10.1107/S2052252523009995","","","0.71073","MoKα","","0.0666","0.0469","","","0.1081","0.1229","","","","","","1.06","","","","has coordinates","289697","2024-02-05","12:10:17",""
"1570607","25","0.003","25","0.003","25","0.003","90","","90","","90","","15625","3","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Zeolite Y","","- Na0.23 O2.17 Si1.04 -","- Na0.234783 O2.17391 Si1.04348 -","- Na43.2 O400 Si192 -","184","0.958333","OF5002","Hogan-Lamarre, Pascal; Luo, Yi; Bücker, Robert; Miller, R. J. Dwayne; Zou, Xiaodong","STEM SerialED: achieving high-resolution data for ab initio structure determination of beam-sensitive nanocrystalline materials.","IUCrJ","2024","11","Pt 1","62","72","10.1107/S2052252523009661","","electron","0.0251","electron","","0.2498","0.22","","","0.4966","0.5144","","","","","","1.621","","","","has coordinates","294012","2024-08-06","22:09:24",""
"1570608","25","0.003","25","0.003","25","0.003","90","","90","","90","","15625","3","293","2","293","2","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Zeolite Y","","- Na21.6 O201.92 Si96 -","- Na21.6 O201.92 Si96 -","- Na43.2 O403.84 Si192 -","2","0.0104167","","Hogan-Lamarre, Pascal; Luo, Yi; Bücker, Robert; Miller, R. J. Dwayne; Zou, Xiaodong","STEM SerialED: achieving high-resolution data for ab initio structure determination of beam-sensitive nanocrystalline materials.","IUCrJ","2024","11","Pt 1","62","72","10.1107/S2052252523009661","","electron","0.0196","electron","","0.3127","0.301","","","0.6077","0.6136","","","","","","2.052","","","","has coordinates","294012","2024-08-06","22:09:24",""
"1570609","43.269","0.005","43.269","0.005","43.269","0.005","90","","90","","90","","81008","16","293","2","293","2","","","","","","","","3","I -4 3 m","I -4 2 3","217","","ZSM-25","","- Na156 O2880 Si1440 -","- Na156 O2880 Si1440 -","- Na156 O2880 Si1440 -","1","0.0208333","","Hogan-Lamarre, Pascal; Luo, Yi; Bücker, Robert; Miller, R. J. Dwayne; Zou, Xiaodong","STEM SerialED: achieving high-resolution data for ab initio structure determination of beam-sensitive nanocrystalline materials.","IUCrJ","2024","11","Pt 1","62","72","10.1107/S2052252523009661","","electron","0.0196","electron","","0.3351","0.2684","","","0.5468","0.5815","","","","","","1.566","","","","has coordinates","294012","2024-08-06","22:09:24",""
"1570710","3.6259","0.0014","3.6259","0.0014","6.29","0.002","90","","90","","120","","71.62","0.05","293","2","293","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Se0.72 Te1.28 V1.13 -","- Se0.72 Te1.28 V1.128 -","- Se0.72 Te1.28 V1.128 -","1","0.0833333","","Kurig, Sophia; Ketter, Fabian; Frommelius, Anne; Hakala, B. Viliam; van Leusen, Jan; Friese, Karen; Dronskowski, Richard","Exploring the Structure and Properties of VwSeyTe2−y Mixed Crystals in the VTe2–VSe2 System","Inorganics","2023","11","12","481","","10.3390/inorganics11120481","","","0.71073","MoKα","","0.0222","0.0204","","","0.0482","0.0491","","","","","","1.208","","","","has coordinates","288919","2024-01-06","19:08:11",""
"1570711","3.633","0.007","3.633","0.007","6.365","0.012","90","","90","","120","","72.8","0.2","293","2","293","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Se0.42 Te1.58 V1.1 -","- Se0.42 Te1.58 V1.099 -","- Se0.42 Te1.58 V1.099 -","1","0.0833333","","Kurig, Sophia; Ketter, Fabian; Frommelius, Anne; Hakala, B. Viliam; van Leusen, Jan; Friese, Karen; Dronskowski, Richard","Exploring the Structure and Properties of VwSeyTe2−y Mixed Crystals in the VTe2–VSe2 System","Inorganics","2023","11","12","481","","10.3390/inorganics11120481","","","0.71073","MoKα","","0.0202","0.0192","","","0.0411","0.0416","","","","","","0.987","","","","has coordinates","288920","2024-01-06","19:08:47",""
"1570712","10.2795","0.0003","11.81","0.0003","18.7503","0.0004","98.07","0.002","103.124","0.002","106.865","0.002","2068.9","0.1","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H39 Ag B F4 N2 O2 P -","- C48 H39 Ag B F4 N2 O2 P -","- C96 H78 Ag2 B2 F8 N4 O4 P2 -","2","1","","Glykos, Dimitrios; Plakatouras, John C.; Malandrinos, Gerasimos","Solution-State Studies, X-ray Structure Determination and Luminescence Properties of an Ag(I) Heteroleptic Complex Containing 2,9-Bis(styryl)-1,10-phenanthroline Derivative and Triphenylphosphine","Inorganics","2023","11","12","467","","10.3390/inorganics11120467","","","0.71073","MoKα","","0.0485","0.0324","","","0.0728","0.079","","","","","","1.052","","","","has coordinates","288921","2024-01-06","19:09:10",""
"1570713","7.292","0.0006","10.7627","0.0006","10.0442","0.0008","90","","94.795","0.006","90","","785.53","0.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Cl4 N8 Si -","- C10 H8 Cl4 N8 Si -","- C20 H16 Cl8 N16 Si2 -","2","0.5","","Riedel, Sophie; Gerwig, Maik; Gerlach, Daniela; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg","The Hexacoordinate Si Complex SiCl4(4-Azidopyridine)2—Crystallographic Characterization of Two Conformers and Probing the Influence of SiCl4-Complexation on a Click Reaction with Phenylacetylene","Inorganics","2023","11","12","473","","10.3390/inorganics11120473","","","0.71073","MoKα","","0.0386","0.032","","","0.072","0.077","","","","","","1.277","","","","has coordinates","288922","2024-01-06","19:09:53",""
"1570714","8.4988","0.0008","17.5628","0.0015","11.3833","0.0011","90","","101.86","0.007","90","","1662.8","0.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Cl4 N8 Si -","- C10 H8 Cl4 N8 Si -","- C40 H32 Cl16 N32 Si4 -","4","0.5","","Riedel, Sophie; Gerwig, Maik; Gerlach, Daniela; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg","The Hexacoordinate Si Complex SiCl4(4-Azidopyridine)2—Crystallographic Characterization of Two Conformers and Probing the Influence of SiCl4-Complexation on a Click Reaction with Phenylacetylene","Inorganics","2023","11","12","473","","10.3390/inorganics11120473","","","0.71073","MoKα","","0.0413","0.029","","","0.0669","0.0723","","","","","","1.082","","","","has coordinates","288922","2024-01-06","19:09:54",""
"1570715","9.1259","0.0003","11.9037","0.0003","9.7351","0.0004","90","","99.034","0.003","90","","1044.42","0.06","180","2","180","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N4 -","- C13 H10 N4 -","- C52 H40 N16 -","4","1","","Riedel, Sophie; Gerwig, Maik; Gerlach, Daniela; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg","The Hexacoordinate Si Complex SiCl4(4-Azidopyridine)2—Crystallographic Characterization of Two Conformers and Probing the Influence of SiCl4-Complexation on a Click Reaction with Phenylacetylene","Inorganics","2023","11","12","473","","10.3390/inorganics11120473","","","0.71073","MoKα","","0.0421","0.0374","","","0.0897","0.0922","","","","","","1.075","","","","has coordinates","288922","2024-01-06","19:09:54",""
"1570716","5.677","0.0004","7.1648","0.0005","13.4102","0.0011","75.071","0.006","79.636","0.006","89.686","0.006","517.96","0.07","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H10 N4 -","- C13 H10 N4 -","- C26 H20 N8 -","2","1","","Riedel, Sophie; Gerwig, Maik; Gerlach, Daniela; Brendler, Erica; Gericke, Robert; Kroke, Edwin; Wagler, Jörg","The Hexacoordinate Si Complex SiCl4(4-Azidopyridine)2—Crystallographic Characterization of Two Conformers and Probing the Influence of SiCl4-Complexation on a Click Reaction with Phenylacetylene","Inorganics","2023","11","12","473","","10.3390/inorganics11120473","","","0.71073","MoKα","","0.0707","0.0488","","","0.1226","0.1323","","","","","","1.052","","","","has coordinates","288922","2024-01-06","19:09:54",""
"1570792","12.718","0.0005","8.3994","0.0003","5.375","0.0002","90","","90","","90","","574.18","0.04","281.7","0.2","281.7","0.2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- Lu Na O6 Se2 -","- Lu Na O6 Se2 -","- Lu4 Na4 O24 Se8 -","4","1","","Li, Peng-Fei; Hu, Chun-Li; Mao, Jiang-Gao; Kong, Fang","A UV non-hydrogen pure selenite nonlinear optical material for achieving balanced properties through framework-optimized structural transformation.","Materials horizons","2024","11","7","1704","1709","10.1039/d3mh01790g","","x-ray","0.71073","MoKα","","0.0214","0.02","","","0.0416","0.0419","","","","","","1","","","","has coordinates","291073","2024-04-05","00:19:10",""
"1571018","12.18","0.002","20.741","0.003","16.353","0.003","90","","110.644","0.003","90","","3865.9","1.1","296.15","","296.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H40 Cl4 P2 Zn -","- C40 H40 Cl4 P2 Zn -","- C160 H160 Cl16 P8 Zn4 -","4","1","","Yu, Shuiyue; Peng, Hui; Wei, Qilin; Li, Tongzhou; Huang, Weiguo; He, Xuefei; Du, Zhentao; Zhao, Jialong; Zou, Bingsuo","Realizing efficient broadband near-infrared emission and multimode photoluminescence switching <i>via</i> coordination structure modulation in Sb<sup>3+</sup>-doped 0D organic metal chlorides.","Materials horizons","2024","11","9","2230","2241","10.1039/d3mh01962d","","","0.71073","MoKα","","0.0662","0.0426","","","0.078","0.0874","","","","","","0.966","","","","has coordinates","293299","2024-07-05","18:12:59",""
"1571019","12.2339","0.0014","21.044","0.002","16.5713","0.0019","90","","112.272","0.002","90","","3948","0.7","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C40 H40 Cd Cl4 P2 -","- C40 H40 Cd Cl4 P2 -","- C160 H160 Cd4 Cl16 P8 -","4","1","","Yu, Shuiyue; Peng, Hui; Wei, Qilin; Li, Tongzhou; Huang, Weiguo; He, Xuefei; Du, Zhentao; Zhao, Jialong; Zou, Bingsuo","Realizing efficient broadband near-infrared emission and multimode photoluminescence switching <i>via</i> coordination structure modulation in Sb<sup>3+</sup>-doped 0D organic metal chlorides.","Materials horizons","2024","11","9","2230","2241","10.1039/d3mh01962d","","","0.71073","MoKα","","0.0377","0.0313","","","0.0741","0.0771","","","","","","1.059","","","","has coordinates","293299","2024-07-05","18:12:59",""
"1571086","5.1722","0.0004","11.4102","0.0009","12.6516","0.0011","76.401","0.004","85.975","0.004","80.371","0.004","715.12","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 Br N2 O4 -","- C15 H11 Br N2 O4 -","- C30 H22 Br2 N4 O8 -","2","1","","Shahbaz, Muhammad; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer","Cocrystals of a coumarin derivative: an efficient approach towards anti-leishmanial cocrystals against MIL-resistant Leishmania tropica.","IUCrJ","2024","11","2","224","236","10.1107/S2052252524001416","","","1.54178","CuKα","","0.045","0.0372","","","0.0916","0.0976","","","","","","1.086","","","","has coordinates","290341","2024-03-05","20:46:43",""
"1571087","28.3874","0.001","4.9666","0.0002","21.326","0.0007","90","","95.807","0.002","90","","2991.3","0.19","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H11 F3 N2 O4 -","- C16 H11 F3 N2 O4 -","- C128 H88 F24 N16 O32 -","8","1","","Shahbaz, Muhammad; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer","Cocrystals of a coumarin derivative: an efficient approach towards anti-leishmanial cocrystals against MIL-resistant Leishmania tropica.","IUCrJ","2024","11","2","224","236","10.1107/S2052252524001416","","","1.54178","CuKα","","0.0327","0.0315","","","0.093","0.0942","","","","","","1.037","","","","has coordinates","290341","2024-03-05","20:46:43",""
"1571088","8.5818","0.0003","21.8411","0.0007","7.7116","0.0002","90","","95.273","0.001","90","","1439.31","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C64 H56 N8 O16 -","4","1","","Shahbaz, Muhammad; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer","Cocrystals of a coumarin derivative: an efficient approach towards anti-leishmanial cocrystals against MIL-resistant Leishmania tropica.","IUCrJ","2024","11","2","224","236","10.1107/S2052252524001416","","","1.54178","CuKα","","0.0586","0.0467","","","0.1196","0.1277","","","","","","1.089","","","","has coordinates","290341","2024-03-05","20:46:43",""
"1571089","11.6158","0.0003","7.6829","0.0002","16.7602","0.0004","90","","103.279","0.001","90","","1455.74","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N O6 -","- C17 H13 N O6 -","- C68 H52 N4 O24 -","4","1","","Shahbaz, Muhammad; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer","Cocrystals of a coumarin derivative: an efficient approach towards anti-leishmanial cocrystals against MIL-resistant Leishmania tropica.","IUCrJ","2024","11","2","224","236","10.1107/S2052252524001416","","","1.54178","CuKα","","0.0411","0.0385","","","0.1073","0.1099","","","","","","1.057","","","","has coordinates","290341","2024-03-05","20:46:43",""
"1571090","26.172","0.003","3.9741","0.0004","11.4267","0.0011","90","","90","","90","","1188.5","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H9 N4 O4 -","- C12 H10 N4 O4 -","- C48 H40 N16 O16 -","4","1","","Shahbaz, Muhammad; Farooq, Saba; Choudhary, M. Iqbal; Yousuf, Sammer","Cocrystals of a coumarin derivative: an efficient approach towards anti-leishmanial cocrystals against MIL-resistant Leishmania tropica.","IUCrJ","2024","11","2","224","236","10.1107/S2052252524001416","","","1.54178","CuKα","","0.1295","0.071","","","0.152","0.1769","","","","","","1.063","","","","has coordinates","290341","2024-03-05","20:46:43",""
"1571127","19.5688","0.0009","4.0772","0.0003","15.9523","0.0008","90","","104.783","0.005","90","","1230.64","0.13","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","1.54184","CuKα","","0.0695","0.0369","","","0.0763","0.1108","","","","","","1.0846","","","","has coordinates","290321","2024-03-05","20:38:47",""
"1571128","19.55","0.005","4.0396","0.0003","15.854","0.005","90","","104.96","0.04","90","","1209.6","0.5","298","2","298","2","","","140000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.227","0.0802","","","0.1594","0.2245","","","","","","0.997","","","","has coordinates","290321","2024-03-05","20:38:49",""
"1571129","19.561","0.008","4.001","0.0005","15.776","0.009","90","","105.08","0.06","90","","1192.2","0.9","298","2","298","2","","","250000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.2939","0.0655","","","0.0931","0.1488","","","","","","1.027","","","","has coordinates","290321","2024-03-05","20:38:49",""
"1571130","19.582","0.007","3.9289","0.0004","15.625","0.006","90","","105.3","0.05","90","","1159.5","0.7","298","2","298","2","","","480000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.1837","0.0614","","","0.128","0.1744","","","","","","1.007","","","","has coordinates","290321","2024-03-05","20:38:49",""
"1571131","19.581","0.006","3.9351","0.0005","15.64","0.007","90","","105.31","0.04","90","","1162.3","0.7","298","2","298","2","","","660000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.3008","0.0891","","","0.1829","0.2754","","","","","","0.97","","","","has coordinates","290321","2024-03-05","20:38:49",""
"1571132","19.604","0.005","3.8747","0.0003","15.531","0.004","90","","105.37","0.03","90","","1137.5","0.5","298","2","298","2","","","710000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.1674","0.0554","","","0.1101","0.1502","","","","","","1.078","","","","has coordinates","290321","2024-03-05","20:38:49",""
"1571133","19.612","0.005","3.8444","0.0003","15.462","0.004","90","","105.61","0.03","90","","1122.8","0.4","298","2","298","2","","","870000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.1777","0.0639","","","0.1282","0.177","","","","","","1.078","","","","has coordinates","290321","2024-03-05","20:38:49",""
"1571134","19.598","0.009","3.8374","0.0005","15.442","0.009","90","","105.76","0.07","90","","1117.7","0.9","298","2","298","2","","","1030000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.2159","0.0739","","","0.1011","0.1349","","","","","","1.031","","","","has coordinates","290321","2024-03-05","20:38:49",""
"1571135","19.631","0.005","3.7932","0.0003","15.352","0.004","90","","105.95","0.03","90","","1099.2","0.4","298","2","298","2","","","1320000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.2055","0.0616","","","0.1014","0.1384","","","","","","1.053","","","","has coordinates,has disorder","290321","2024-03-05","20:38:49",""
"1571136","19.635","0.003","3.7664","0.0002","15.296","0.003","90","","106.03","0.02","90","","1087.2","0.3","298","2","298","2","","","1540000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.162","0.0632","","","0.0851","0.1126","","","","","","1.059","","","","has coordinates,has disorder","290321","2024-03-05","20:38:50",""
"1571137","19.647","0.004","3.7198","0.0003","15.191","0.004","90","","106.21","0.03","90","","1066.1","0.4","298","2","298","2","","","1740000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.1554","0.0699","","","0.1377","0.1798","","","","","","1.033","","","","has coordinates,has disorder","290321","2024-03-05","20:38:50",""
"1571138","19.647","0.006","3.7375","0.0004","15.222","0.006","90","","106.12","0.04","90","","1073.8","0.6","298","2","298","2","","","1830000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.2104","0.0665","","","0.1012","0.1544","","","","","","1.047","","","","has coordinates,has disorder","290321","2024-03-05","20:38:50",""
"1571139","19.662","0.009","3.7264","0.0006","15.211","0.01","90","","106.16","0.07","90","","1070.5","1","298","2","298","2","","","1950000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.2318","0.0765","","","0.1312","0.1944","","","","","","1.032","","","","has coordinates,has disorder","290321","2024-03-05","20:38:50",""
"1571140","19.648","0.017","3.7139","0.0011","15.171","0.017","90","","106.08","0.12","90","","1063.7","1.7","298","2","298","2","","","2100000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.2259","0.0785","","","0.1641","0.2363","","","","","","0.974","","","","has coordinates,has disorder","290321","2024-03-05","20:38:50",""
"1571141","19.67","0.005","3.6881","0.0003","15.112","0.005","90","","106.48","0.04","90","","1051.3","0.5","298","2","298","2","","","2190000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.245","0.0925","","","0.1432","0.2146","","","","","","1.095","","","","has coordinates,has disorder","290321","2024-03-05","20:38:50",""
"1571142","19.687","0.013","3.6609","0.0007","15.043","0.013","90","","106.48","0.09","90","","1039.6","1.2","298","2","298","2","","","2470000","20000","","","","4","C 1 2/c 1","-C 2yc","15","","Malonic acid 4,4'-bipyridyl","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","0.5","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.2347","0.0735","","","0.0751","0.111","","","","","","1.008","","","","has coordinates,has disorder","290321","2024-03-05","20:38:50",""
"1571143","8.412","0.004","7.9665","0.0011","15.576","0.009","90","","103.33","0.06","90","","1015.7","0.8","298","5","298","5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-bipyridine hydrogen malonate","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.1954","0.0617","","","0.1093","0.1621","","","","","","1.023","","","","has coordinates","290321","2024-03-05","20:38:50",""
"1571144","8.438","0.006","7.9032","0.0014","15.425","0.01","90","","103.18","0.08","90","","1001.6","1","298","2","298","2","","","3040000","20000","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-bipyridine hydrogen malonate","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.2782","0.064","","","0.0942","0.162","","","","","","0.911","","","","has coordinates","290321","2024-03-05","20:38:50",""
"1571145","8.4","0.01","7.886","0.003","15.389","0.019","90","","103.93","0.14","90","","989.4","1.8","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4'-bipyridine malonate","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C52 H48 N8 O16 -","4","1","YC5045","Patyk-Kaźmierczak, Ewa; Izquierdo-Ruiz, Fernando; Lobato, Alvaro; Kaźmierczak, Michał; Moszczyńska, Ida; Olejniczak, Anna; Recio, J. Manuel","The curious case of proton migration under pressure in the malonic acid and 4,4'-bipyridine cocrystal.","IUCrJ","2024","11","2","168","181","10.1107/S2052252524000344","","x-ray","0.71073","MoKα","","0.2481","0.095","","","0.1442","0.2162","","","","","","1.017","","","","has coordinates","290321","2024-03-05","20:38:50",""
"1571163","20.052","0.0008","20.1859","0.0008","24.629","0.0009","94.177","0.002","107.105","0.002","103.932","0.002","9136.2","0.6","100","0.1","100","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C129.23 H188.77 Cl4.69 Cu29 O3 P4 S14.31 -","- C128.388 H186.872 Cl4.692 Cu29 O2.3667 P4 S14.0969 -","- C256.775 H373.744 Cl9.384 Cu58 O4.7334 P8 S28.1938 -","2","1","","Ghosh, Atanu; Sagadevan, Arunachalam; Murugesan, Kathiravan; Nastase, Stefan Adrian F.; Maity, Bholanath; Bodiuzzaman, Mohammad; Shkurenko, Aleksander; Hedhili, Mohamed Nejib; Yin, Jun; Mohammed, Omar F.; Eddaoudi, Mohamed; Cavallo, Luigi; Rueping, Magnus; Bakr, Osman M.","Multiple neighboring active sites of an atomically precise copper nanocluster catalyst for efficient bond-forming reactions.","Materials horizons","2024","11","10","2494","2505","10.1039/d4mh00098f","","","1.54178","CuKα","","0.064","0.0551","","","0.1582","0.17","","","","","","1.049","","","","has coordinates,has disorder","293297","2024-07-05","18:12:32",""
"1571262","13.1931","","13.214","","6.213","","90","","90","","90","","1083.14","","100","","100","","","","","","","","","4","I b a m","-I 2 2c","72","1-methyluracil","","","- C5 H6 N2 O2 -","- C5 H6 N2 O2 -","- C40 H48 N16 O16 -","8","0.5","OF5004","Olech, Barbara; Brázda, Petr; Palatinus, Lukas; Dominiak, Paulina Maria","Dynamical refinement with multipolar electron scattering factors.","IUCrJ","2024","11","3","","","10.1107/S2052252524001763","","electron","0.0251","electron","","0.1355","0.0953","","","0.1001","0.1032","","","","0","0","2.8854","","","","has coordinates","290612","2024-03-23","03:14:56",""
"1571263","13.1931","","13.214","","6.213","","90","","90","","90","","1083.14","","100","","100","","","","","","","","","4","I b a m","-I 2 2c","72","1-methyluracil","","","- C5 H6 N2 O2 -","- C5 H6 N2 O2 -","- C40 H48 N16 O16 -","8","0.5","OF5004","Olech, Barbara; Brázda, Petr; Palatinus, Lukas; Dominiak, Paulina Maria","Dynamical refinement with multipolar electron scattering factors.","IUCrJ","2024","11","3","","","10.1107/S2052252524001763","","electron","0.0251","electron","","0.1273","0.0892","","","0.0959","0.0988","","","","0","0","2.76","","","","has coordinates","290612","2024-03-23","03:14:57",""
"1571264","13.1931","","13.214","","6.213","","90","","90","","90","","1083.14","","100","","100","","","","","","","","","4","I b a m","-I 2 2c","72","1-methyluracil","","","- C5 H6 N2 O2 -","- C5 H6 N2 O2 -","- C40 H48 N16 O16 -","8","0.5","OF5004","Olech, Barbara; Brázda, Petr; Palatinus, Lukas; Dominiak, Paulina Maria","Dynamical refinement with multipolar electron scattering factors.","IUCrJ","2024","11","3","","","10.1107/S2052252524001763","","electron","0.0251","electron","","0.1257","0.0875","","","0.094","0.097","","","","0","0","2.7109","","","","has coordinates","290612","2024-03-23","03:14:57",""
"1571437","21.9901","0.0003","11.7699","0.0002","15.3428","0.0002","90","","106.646","0.001","90","","3804.63","0.1","149.95","0.15","149.95","0.15","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 Cl2 N4 Zn -","- C46 H36 Cl2 N4 Zn -","- C184 H144 Cl8 N16 Zn4 -","4","1","","Shonde, Tunde Blessed; Liu, He; Olasupo, Oluwadara Joshua; Bouchard, Alexander; Bouchard, Sara; Franklin, Annaliese; Lin, Xinsong; Stand, Luis M.; Ma, Biwu","Aggregation-induced emission organic metal halide complex for X-ray scintillation.","Materials horizons","2024","11","13","3076","3081","10.1039/d4mh00142g","","x-ray","1.54184","CuKα","","0.0497","0.0471","","","0.1334","0.1378","","","","","","1.085","","","","has coordinates","293298","2024-07-05","18:12:45",""
"1571464","15.4846","0.0003","15.4846","0.0003","12.3372","0.0004","90","","90","","90","","2958.13","0.13","114","3","110","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","InOF-1_110K","","- C8 H3 In O5 -","- C8 H3 In O5 -","- C64 H24 In8 O40 -","8","0.5","","Liu, Zhanning; Xing, Chengyong; Wu, Shaowen; Ma, Min; Tian, Jian","Biphenyl tetracarboxylic acid-based metal-organic frameworks: a case of topology-dependent thermal expansion.","Materials horizons","2024","11","14","3345","3351","10.1039/d3mh02185h","","","1.54184","CuKα","","0.0247","0.0241","","","0.0631","0.0638","","","","","","1.128","","","","has coordinates","293946","2024-08-05","20:09:41",""
"1571465","15.4791","0.0002","15.4791","0.0002","12.3348","0.0003","90","","90","","90","","2955.45","0.09","200.06","0.1","200","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","InOF-1_200K","","- C8 H3 In O5 -","- C8 H3 In O5 -","- C64 H24 In8 O40 -","8","0.5","","Liu, Zhanning; Xing, Chengyong; Wu, Shaowen; Ma, Min; Tian, Jian","Biphenyl tetracarboxylic acid-based metal-organic frameworks: a case of topology-dependent thermal expansion.","Materials horizons","2024","11","14","3345","3351","10.1039/d3mh02185h","","","1.54184","CuKα","","0.0225","0.0217","","","0.0623","0.0626","","","","","","1.167","","","","has coordinates","293946","2024-08-05","20:09:42",""
"1571466","15.4819","0.0002","15.4819","0.0002","12.3361","0.0003","90","","90","","90","","2956.83","0.09","150.01","0.1","150","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","InOF-1_150K","","- C8 H3 In O5 -","- C8 H3 In O5 -","- C64 H24 In8 O40 -","8","0.5","","Liu, Zhanning; Xing, Chengyong; Wu, Shaowen; Ma, Min; Tian, Jian","Biphenyl tetracarboxylic acid-based metal-organic frameworks: a case of topology-dependent thermal expansion.","Materials horizons","2024","11","14","3345","3351","10.1039/d3mh02185h","","","1.54184","CuKα","","0.022","0.0214","","","0.0599","0.0602","","","","","","1.158","","","","has coordinates","293946","2024-08-05","20:09:42",""
"1571467","15.4763","0.0003","15.4763","0.0003","12.3336","0.0003","90","","90","","90","","2954.09","0.11","250","0.1","250","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","InOF-1_250K","","- C8 H3 In O5 -","- C8 H3 In O5 -","- C64 H24 In8 O40 -","8","0.5","","Liu, Zhanning; Xing, Chengyong; Wu, Shaowen; Ma, Min; Tian, Jian","Biphenyl tetracarboxylic acid-based metal-organic frameworks: a case of topology-dependent thermal expansion.","Materials horizons","2024","11","14","3345","3351","10.1039/d3mh02185h","","","1.54184","CuKα","","0.0186","0.018","","","0.0512","0.0515","","","","","","1.21","","","","has coordinates","293946","2024-08-05","20:09:42",""
"1571468","15.4711","0.0002","15.4711","0.0002","12.331","0.0003","90","","90","","90","","2951.49","0.09","350","0.1","350","","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","InOF-1_350K","","- C8 H3 In O5 -","- C8 H3 In O5 -","- C64 H24 In8 O40 -","8","0.5","","Liu, Zhanning; Xing, Chengyong; Wu, Shaowen; Ma, Min; Tian, Jian","Biphenyl tetracarboxylic acid-based metal-organic frameworks: a case of topology-dependent thermal expansion.","Materials horizons","2024","11","14","3345","3351","10.1039/d3mh02185h","","","1.54184","CuKα","","0.025","0.0219","","","0.0552","0.0565","","","","","","1.111","","","","has coordinates","293946","2024-08-05","20:09:42",""
"1571469","15.4732","0.00014","15.4732","0.00014","12.3324","0.00017","90","","90","","90","","2952.62","0.06","300.1","0.18","300.1","0.18","","","","","","","","4","I 41 2 2","I 4bw 2bw","98","","InOF-1_300K","","- C8 H3 In O5 -","- C8 H3 In O5 -","- C64 H24 In8 O40 -","8","0.5","","Liu, Zhanning; Xing, Chengyong; Wu, Shaowen; Ma, Min; Tian, Jian","Biphenyl tetracarboxylic acid-based metal-organic frameworks: a case of topology-dependent thermal expansion.","Materials horizons","2024","11","14","3345","3351","10.1039/d3mh02185h","","x-ray","1.54184","CuKα","","0.0226","0.0217","","","0.062","0.0624","","","","","","1.163","","","","has coordinates","293946","2024-08-05","20:09:42",""
"1571596","20.7","0.3","20.7","0.3","8.8","0.2","90","","90","","90","","3771","12","298","1","298","1","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C41 H30 N4 O -","- C41 H28 N4 -","- C164 H112 N16 -","4","0.25","VQ5005","Bourda, Laurens; Bhandary, Subhrajyoti; Ito, Sho; Göb, Christian R; Van Der Voort, Pascal; Van Hecke, Kristof","Analysis of COF-300 synthesis: probing degradation processes and 3D electron diffraction structure.","IUCrJ","2024","11","4","","","10.1107/S2052252524003713","","electron","0.0251","transmissionelectronmicroscope","","0.1808","0.1372","","","0.3425","0.3793","","","","","","1.316","","","","has coordinates","291819","2024-05-11","01:57:53",""
"1571597","7.1511","0.00013","10.90793","0.00019","17.7744","0.0003","90","","102.494","0.0019","90","","1353.63","0.04","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","YC5047","Zwolenik, A.; Tchoń, D; Makal, A.","Evolution of structure and spectroscopic properties of a new 1,3-diacetylpyrene polymorph with temperature and pressure.","IUCrJ","2024","11","4","","","10.1107/S2052252524003634","","x-ray","0.71073","MoKα","","0.0449","0.0254","","","0.0391","0.0421","","","","","","1.0435","","","","has coordinates","291821","2024-05-11","01:59:10",""
"1571598","7.235","0.0003","11.2573","0.0004","17.7365","0.0005","90","","103.701","0.003","90","","1403.47","0.09","293","1","293","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Tchoń, D; Makal, A.","Evolution of structure and spectroscopic properties of a new 1,3-diacetylpyrene polymorph with temperature and pressure.","IUCrJ","2024","11","4","","","10.1107/S2052252524003634","","","1.54184","CuKα","","0.0691","0.0538","","","0.1169","0.125","","","","","","1.0709","","","","has coordinates","291821","2024-05-11","01:59:11",""
"1571599","7.235","0.0003","11.2573","0.0004","17.7365","0.0005","90","","103.701","0.003","90","","1403.47","0.09","287","11","293","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Tchoń, D; Makal, A.","Evolution of structure and spectroscopic properties of a new 1,3-diacetylpyrene polymorph with temperature and pressure.","IUCrJ","2024","11","4","","","10.1107/S2052252524003634","","","1.54184","CuKα","","0.0572","0.042","","","0.0947","0.1037","","","","","","0.8879","","","","has coordinates","291821","2024-05-11","01:59:11",""
"1571600","6.9685","0.0002","10.7405","0.0004","17.5252","0.0006","90","","101.697","0.003","90","","1284.44","0.08","298","","298.15","","","","","","","Pressurized to 0.85 GPa.","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Tchoń, D; Makal, A.","Evolution of structure and spectroscopic properties of a new 1,3-diacetylpyrene polymorph with temperature and pressure.","IUCrJ","2024","11","4","","","10.1107/S2052252524003634","","","0.41618","synchrotron","","0.0622","0.0364","","","0.074","0.0851","","","","","","1.0995","","","","has coordinates","291821","2024-05-11","01:59:11",""
"1571601","6.9685","0.0002","10.7405","0.0004","17.5252","0.0006","90","","101.697","0.003","90","","1284.44","0.08","298","","298.15","","","","","","","Pressurized to 0.85 GPa.","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Tchoń, D; Makal, A.","Evolution of structure and spectroscopic properties of a new 1,3-diacetylpyrene polymorph with temperature and pressure.","IUCrJ","2024","11","4","","","10.1107/S2052252524003634","","","0.41618","synchrotron","","0.0604","0.0345","","","0.0695","0.0809","","","","","","1.0541","","","","has coordinates","291821","2024-05-11","01:59:11",""
"1571602","6.90862","0.00018","10.655","0.0005","17.4709","0.0007","90","","101.448","0.003","90","","1260.47","0.09","298","","298.15","","","","","","","Pressurized to 1.1 GPa.","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Tchoń, D; Makal, A.","Evolution of structure and spectroscopic properties of a new 1,3-diacetylpyrene polymorph with temperature and pressure.","IUCrJ","2024","11","4","","","10.1107/S2052252524003634","","","0.41618","synchrotron","","0.0816","0.0506","","","0.1249","0.1508","","","","","","1.0863","","","","has coordinates","291821","2024-05-11","01:59:11",""
"1571603","6.8196","0.001","10.5519","0.0014","17.3617","0.0017","90","","100.735","0.012","90","","1227.5","0.3","298","","571.15","","","","","","","Pressurized to 1.7 GPa.","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 O2 -","- C20 H14 O2 -","- C80 H56 O8 -","4","1","","Zwolenik, A.; Tchoń, D; Makal, A.","Evolution of structure and spectroscopic properties of a new 1,3-diacetylpyrene polymorph with temperature and pressure.","IUCrJ","2024","11","4","","","10.1107/S2052252524003634","","","0.41618","synchrotron","","0.1533","0.099","","","0.2757","0.3359","","","","","","1.1178","","","","has coordinates","291821","2024-05-11","01:59:11",""
"1571729","14.2142","0.0008","14.3406","0.0007","19.3048","0.0009","97.833","0.002","93.512","0.002","99.176","0.002","3834.6","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C203 H130 Cl8 N16 O5 -","- C196 H116 N16 O4 -","- C196 H116 N16 O4 -","1","0.5","","Xie, Feng-Ming; Wang, Han-Yang; Li, Hao-Ze; Zhang, Kai; Shen, Yang; Zou, Jianhua; Li, Yan-Qing; Tang, Jian-Xin","Intramolecular exciplex featuring a bis-sp<sup>3</sup> C-locked acceptor-donor-acceptor sandwich.","Materials horizons","2024","11","16","3921","3927","10.1039/d4mh00400k","","","0.71073","MoKα","","0.1103","0.083","","","0.1789","0.1942","","","","","","1.0895","","","","has coordinates","294647","2024-09-06","02:11:03",""
"1571770","32.311","0.0013","11.2344","0.0005","22.7693","0.0009","90","","119.706","0.001","90","","7178.9","0.5","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C44 H32 N6 -","- C44 H32 N6 -","- C352 H256 N48 -","8","1","","Wu, Yujie; Zhang, Jiasen; Li, Deli; Du, Songyu; Mu, Xilin; Liu, Chunyu; Fang, Kaibo; Feng, Tingting; Wang, Tao; Li, Wei; Ge, Ziyi","Optimizing the energy level alignment for achieving record-breaking efficiency in hot exciton deep red OLEDs.","Materials horizons","2024","11","16","3928","3934","10.1039/d4mh00441h","","","0.71073","MoKα","","0.0961","0.0545","","","0.1248","0.1468","","","","","","1.027","","","","has coordinates","294646","2024-09-06","02:10:34",""
"1571771","8.9279","0.0004","10.6851","0.0004","35.7149","0.0014","90","","94.171","0.001","90","","3398","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H32 N6 -","- C44 H32 N6 -","- C176 H128 N24 -","4","1","","Wu, Yujie; Zhang, Jiasen; Li, Deli; Du, Songyu; Mu, Xilin; Liu, Chunyu; Fang, Kaibo; Feng, Tingting; Wang, Tao; Li, Wei; Ge, Ziyi","Optimizing the energy level alignment for achieving record-breaking efficiency in hot exciton deep red OLEDs.","Materials horizons","2024","11","16","3928","3934","10.1039/d4mh00441h","","","0.71073","MoKα","","0.1136","0.0602","","","0.129","0.1566","","","","","","1.047","","","","has coordinates","294646","2024-09-06","02:10:35",""
"1571772","15.311","0.004","23.948","0.006","7.27","0.02","90","","90","","90","","2666","7","293","","293","2","","","","","","","","4","C 2 2 21","C 2c 2","20","ET(1)*6H2O","4-(2,4,6-triphenylpyridinium-1-yl)-phenolate hexahydrate","","- C29 H21 N O7 -","- C29 H21 N O7 -","- C116 H84 N4 O28 -","4","0.5","LT5066","Sobczak, Szymon; Katrusiak, Andrzej","Structural insight into piezo-solvatochromism of Reichardt's dye.","IUCrJ","2024","11","4","","","10.1107/S2052252524004603","","","0.71073","MoKα","","0.2641","0.1369","","","0.3215","0.3781","","","","","","1.276","","","","has coordinates","292200","2024-06-05","02:20:32",""
"1571773","10.4704","0.0011","19.8","0.03","13.3135","0.0015","90","","95.819","0.009","90","","2746","4","293","2","293","2","","","570000","","","","","4","P 1 21/n 1","-P 2yn","14","ET(1)*4CH3OH","4-(2,4,6-triphenylpyridinium-1-yl)-phenolate tetramethanol solvate","","- C33 H37 N O5 -","- C33 H37 N O5 -","- C132 H148 N4 O20 -","4","1","","Sobczak, Szymon; Katrusiak, Andrzej","Structural insight into piezo-solvatochromism of Reichardt's dye.","IUCrJ","2024","11","4","","","10.1107/S2052252524004603","","","0.71073","MoKα","","0.1681","0.0857","","","0.2285","0.2956","","","","","","1.035","","","","has coordinates","292200","2024-06-05","02:20:33",""
"1571774","10.425","0.003","19.26","0.07","13.112","0.004","90","","95.7","0.03","90","","2620","10","293","2","293","2","","","1170000","","","","","4","P 1 21/n 1","-P 2yn","14","ET(1)*4CH3OH","4-(2,4,6-triphenylpyridinium-1-yl)-phenolate tetramethanol solvate","","- C33 H37 N O5 -","- C33 H37 N O5 -","- C132 H148 N4 O20 -","4","1","","Sobczak, Szymon; Katrusiak, Andrzej","Structural insight into piezo-solvatochromism of Reichardt's dye.","IUCrJ","2024","11","4","","","10.1107/S2052252524004603","","","0.71073","MoKα","","0.2272","0.0795","","","0.1889","0.2803","","","","","","1.023","","","","has coordinates","292200","2024-06-05","02:20:34",""
"1571775","24.062","0.009","24.062","0.009","31.259","0.008","90","","90","","120","","15674","9","293","2","293","","","","240000","","","","","4","R 3 c :H","R 3 -2""c","161","ET(1)*4C2H5OH*H2O","4-(2,4,6-triphenylpyridinium-1-yl)-phenolate ethanol solvate","","- C37 H45 N O6 -","- C37 H45 N O5.99997 -","- C666 H810 N18 O107.999 -","18","1","","Sobczak, Szymon; Katrusiak, Andrzej","Structural insight into piezo-solvatochromism of Reichardt's dye.","IUCrJ","2024","11","4","","","10.1107/S2052252524004603","","","0.71073","MoKα","","0.3773","0.121","","","0.3073","0.4585","","","","","","0.974","","","","has coordinates","292200","2024-06-05","02:20:34",""
"1571776","23.645","0.008","23.645","0.008","30.91","0.02","90","","90","","120","","14966","12","293","","293","2","","","","","","","","4","R 3 c :H","R 3 -2""c","161","ET(1)*4C2H5OH*H2O","4-(2,4,6-triphenylpyridinium-1-yl)-phenolate ethanol solvate","","- C37 H45 N O6 -","- C37 H45 N O5.99997 -","- C666 H810 N18 O107.999 -","18","1","","Sobczak, Szymon; Katrusiak, Andrzej","Structural insight into piezo-solvatochromism of Reichardt's dye.","IUCrJ","2024","11","4","","","10.1107/S2052252524004603","","","0.71073","MoKα","","0.3771","0.1248","","","0.2723","0.4036","","","","","","0.952","","","","has coordinates","292200","2024-06-05","02:20:35",""
"1571797","9.431","0.003","11.607","0.003","13.247","0.004","87.189","0.009","78.325","0.009","74.102","0.01","1365.7","0.7","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 I N O3 S -","- C32 H30 I N O3 S -","- C64 H60 I2 N2 O6 S2 -","2","1","","Liu, Yang; Gong, Xiao-Ting; Wang, Kang-Nan; He, Simeng; Wang, Yumeng; Lin, Qiaowen; Liu, Zhiqiang; Yu, Xiaoqiang; Liu, Bin","Dual-targeted fluorescent probe for tracking polarity and phase transition processes during lipophagy.","Materials horizons","2024","11","14","3287","3297","10.1039/d4mh00190g","","","1.54178","CuKα","","0.0325","0.0317","","","0.0865","0.0871","","","","","","1.043","","","","has coordinates,has disorder","293947","2024-08-05","20:09:58",""
"1571818","23.913","0.002","7.635","0.0007","27.048","0.002","90","","93.244","0.007","90","","4930.4","0.7","100","0.1","100","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","(2',6'dimethoxy-[1,1'-biphenyl]-2-yl)methanol","","- C15 H16 O3 -","- C15 H16 O3 -","- C240 H256 O48 -","16","2","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1524","0.0797","","","0.2118","0.2463","","","","","","1.06","","","","has coordinates","292346","2024-06-13","02:33:06",""
"1571819","78.549","0.01","14.9682","0.0008","41.688","0.003","90","","99.709","0.011","90","","48312","8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C115.57 H79.8 I18 N36 O1.52 Zn9 -","- C115.572 H79.8038 I17.9998 N36 O1.5144 Zn8.9999 -","- C924.576 H638.43 I143.998 N288 O12.1152 Zn71.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","K-L~3~","0.2071","0.1738","","","0.4738","0.5004","","","","","","1.035","","","","has coordinates,has disorder","292346","2024-06-13","02:33:08",""
"1571820","34.3474","0.0009","15.1342","0.0003","29.5974","0.0009","90","","100.42","0.002","90","","15131.6","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc cyclohexane solvate","","- C46.36 H44.73 I6 N12 Zn3 -","- C46.3632 H44.7264 I6 N12 Zn3 -","- C370.906 H357.811 I48 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0759","0.0641","","","0.1991","0.2075","","","","","","1.061","","","","has coordinates,has disorder","292346","2024-06-13","02:33:09",""
"1571821","78.299","0.004","14.9565","0.0003","41.6827","0.0016","90","","99.929","0.004","90","","48083","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C127.68 H101.08 I18 N36 O2.2 Zn9 -","- C127.681 H101.082 I17.9998 N36 O2.2029 Zn8.9999 -","- C1021.45 H808.653 I143.998 N288 O17.6232 Zn71.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.2027","0.1602","","","0.4183","0.4444","","","","","","1.042","","","","has coordinates,has disorder","292346","2024-06-13","02:33:10",""
"1571822","34.4506","0.0011","15.0594","0.0004","30.1018","0.0014","90","","100.834","0.004","90","","15338.6","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I5.9996 N12 Zn2.9998 -","- C288 H192 I47.9968 N96 Zn23.9984 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0702","0.0588","","","0.1837","0.1926","","","","","","1.065","","","","has coordinates,has disorder","292346","2024-06-13","02:33:11",""
"1571823","34.1537","0.0011","15.1026","0.0003","29.0899","0.0012","90","","99.542","0.004","90","","14797.2","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6 N12 Zn3 -","- C288 H192 I48 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0862","0.0567","","","0.1605","0.1768","","","","","","0.986","","","","has coordinates,has disorder","292346","2024-06-13","02:33:12",""
"1571824","34.4353","0.0008","15.0604","0.0003","30.1558","0.0014","90","","100.809","0.003","90","","15361.6","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6.001 N12 Zn3.0005 -","- C288 H192 I48.008 N96 Zn24.004 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0636","0.0502","","","0.1527","0.1617","","","","","","1.071","","","","has coordinates,has disorder","292346","2024-06-13","02:33:12",""
"1571825","78.3675","0.0018","14.9505","0.0002","41.6842","0.0007","90","","99.853","0.002","90","","48118.2","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C117.5 H82.13 I18 N36 O1.9 Zn9 -","- C117.495 H82.128 I18.0002 N36 O1.899 Zn9.0001 -","- C939.96 H657.024 I144.002 N288 O15.192 Zn72.0008 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1937","0.167","","","0.4218","0.4374","","","","","","1.048","","","","has coordinates,has disorder","292346","2024-06-13","02:33:12",""
"1571826","34.4432","0.0011","15.0627","0.0004","30.2136","0.0014","90","","100.996","0.004","90","","15387.3","1","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc cyclohexane solvate","","- C37.73 H27.46 I6 N12 Zn3 -","- C37.731 H27.462 I6 N12 Zn3 -","- C301.848 H219.696 I48 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1114","0.0902","","","0.2797","0.297","","","","","","1.047","","","","has coordinates,has disorder","292346","2024-06-13","02:33:12",""
"1571827","78.371","0.002","14.9291","0.0004","41.6991","0.0013","90","","99.869","0.003","90","","48066","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C123.96 H93.85 I18 N36 O2.16 Zn9 -","- C123.958 H93.8476 I18.0004 N36 O2.1576 Zn9.0002 -","- C991.666 H750.781 I144.003 N288 O17.2608 Zn72.0016 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1677","0.132","","","0.372","0.3966","","","","","","1.034","","","","has coordinates,has disorder","292346","2024-06-13","02:33:12",""
"1571828","34.0757","0.0018","15.0947","0.0006","29.186","0.002","90","","99.38","0.006","90","","14811.5","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I5.9998 N12 Zn2.9999 -","- C288 H192 I47.9984 N96 Zn23.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1228","0.0918","","","0.3039","0.3413","","","","","","1.177","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571829","34.3094","0.0009","15.0823","0.0003","29.8583","0.001","90","","100.538","0.003","90","","15190","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6.0002 N12 Zn3.0001 -","- C288 H192 I48.0016 N96 Zn24.0008 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0763","0.0505","","","0.1443","0.156","","","","","","1.052","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571830","34.3373","0.0011","15.0894","0.0003","29.5872","0.0011","90","","100.291","0.003","90","","15083.4","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc cyclohexane solvate","","- C38.4 H28.81 I6 N12 Zn3 -","- C38.403 H28.806 I5.9984 N12 Zn2.9992 -","- C307.224 H230.448 I47.9872 N96 Zn23.9936 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0917","0.0746","","","0.2339","0.2527","","","","","","1.051","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571831","33.994","0.005","15.064","0.0007","29.295","0.005","90","","99.334","0.015","90","","14803","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6 N12 Zn3 -","- C288 H192 I48 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1738","0.1223","","","0.3725","0.4221","","","","","","1.266","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571832","34.2193","0.0011","15.073","0.0004","29.5041","0.0012","90","","99.979","0.003","90","","14987.6","0.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6.0014 N12 Zn3.0007 -","- C288 H192 I48.0112 N96 Zn24.0056 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0745","0.0597","","","0.196","0.2103","","","","","","1.102","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571833","34.3369","0.0012","15.0656","0.0004","29.814","0.0012","90","","100.46","0.003","90","","15166.7","0.9","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I5.9998 N12 Zn2.9999 -","- C288 H192 I47.9984 N96 Zn23.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.08","0.0653","","","0.2153","0.2282","","","","","","1.095","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571834","34.494","0.0013","15.0307","0.0003","30.3347","0.0013","90","","101.054","0.004","90","","15435.8","1","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I5.9996 N12 Zn2.9998 -","- C288 H192 I47.9968 N96 Zn23.9984 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1094","0.0844","","","0.272","0.2947","","","","","","1.093","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571835","34.7075","0.0008","14.9722","0.0003","31.1023","0.0009","90","","102.185","0.002","90","","15798.1","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C38.78 H26.97 I6 N12 O0.56 Zn3 -","- C38.7825 H26.968 I5.9998 N12 O0.5565 Zn2.9999 -","- C310.26 H215.744 I47.9984 N96 O4.452 Zn23.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1126","0.0936","","","0.3026","0.3224","","","","","","1.049","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571836","34.5442","0.0016","15.0184","0.0003","30.549","0.002","90","","101.346","0.005","90","","15539","1.3","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6 N12 Zn3 -","- C288 H192 I48 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1127","0.092","","","0.2865","0.3057","","","","","","1.111","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571837","78.142","0.004","14.9754","0.0002","41.6691","0.0013","90","","99.702","0.004","90","","48064","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C122.39 H90.76 I18 N36 O2.14 Zn9 -","- C122.389 H90.7644 I18.0002 N36 O2.1456 Zn9.0001 -","- C979.109 H726.115 I144.002 N288 O17.1648 Zn72.0008 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","K-L~3~","0.1697","0.1401","","","0.3562","0.3743","","","","","","1.062","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571838","34.4567","0.0017","15.0045","0.0004","30.444","0.002","90","","101.219","0.006","90","","15438.9","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexachloro-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6 N12 Zn3 -","- C288 H192 I48 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1006","0.0791","","","0.2581","0.2769","","","","","","1.085","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571839","34.3531","0.0008","15.0637","0.0004","29.9781","0.0011","90","","100.634","0.003","90","","15246.8","0.8","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexachloro-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6.0057 N12 Zn3 -","- C288 H192 I48.0456 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0826","0.0708","","","0.2214","0.2322","","","","","","1.084","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571840","31.4246","0.0009","14.9857","0.0003","34.4395","0.0009","90","","101.976","0.003","90","","15865.2","0.7","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C78.84 H55.3 I12 N24 O1.37 Zn6 -","- C78.8445 H55.3008 I12 N24 O1.3689 Zn6 -","- C315.378 H221.203 I48 N96 O5.4756 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1408","0.0981","","","0.3081","0.3416","","","","","","1.033","","","","has coordinates,has disorder","292346","2024-06-13","02:33:13",""
"1571841","34.458","0.002","15.0078","0.0004","30.486","0.003","90","","101.242","0.007","90","","15463","1.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I5.9998 N12 Zn2.9999 -","- C288 H192 I47.9984 N96 Zn23.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.115","0.0899","","","0.2952","0.3206","","","","","","1.117","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571842","78.5587","0.0018","14.9697","0.0002","41.6779","0.0006","90","","100.259","0.002","90","","48229.6","1.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C129.97 H101.68 I18 N36 O3.06 Zn9 -","- C129.965 H101.676 I18 N36 O3.0546 Zn9 -","- C1039.72 H813.408 I144 N288 O24.4368 Zn72 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0943","0.07","","","0.2201","0.2396","","","","","","1.045","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571843","78.8715","0.001","14.9502","0.0001","41.6531","0.0004","90","","100.102","0.001","90","","48353.6","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C119.57 H84.34 I18 N36 O2.31 Zn9 -","- C119.572 H84.344 I17.9998 N36 O2.3145 Zn8.9999 -","- C956.58 H674.752 I143.998 N288 O18.516 Zn71.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.112","0.094","","","0.2889","0.3037","","","","","","1.055","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571844","78.606","0.002","14.9668","0.0002","41.6349","0.0006","90","","100.127","0.002","90","","48219.5","1.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C118.5 H83.2 I18 N36 O2.1 Zn9 -","- C118.504 H83.2048 I18 N36 O2.1009 Zn9 -","- C948.036 H665.638 I144 N288 O16.8072 Zn72 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.136","0.1121","","","0.326","0.3451","","","","","","1.053","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571845","77.257","0.006","15.0021","0.0008","41.5124","0.0018","90","","100.342","0.005","90","","47332","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C122.16 H87.11 I18 N36 O2.83 Zn9 -","- C122.162 H87.1056 I17.9996 N36 O2.8323 Zn8.9998 -","- C977.292 H696.845 I143.997 N288 O22.6584 Zn71.9984 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1928","0.1289","","","0.3878","0.446","","","","","","1.033","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571846","34.5084","0.0012","14.9904","0.0004","31.4216","0.0016","90","","101.916","0.004","90","","15904","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C39.88 H28.14 I6 N12 O0.78 Zn3 -","- C39.8848 H28.1438 I5.9998 N12 O0.777 Zn2.9999 -","- C319.078 H225.15 I47.9984 N96 O6.216 Zn23.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1523","0.1258","","","0.3841","0.406","","","","","","1.073","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571847","34.4933","0.0018","15.028","0.0004","30.223","0.002","90","","101.026","0.006","90","","15377.4","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexachloro-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I5.9998 N12 Zn2.9999 -","- C288 H192 I47.9984 N96 Zn23.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1619","0.139","","","0.4334","0.4599","","","","","","1.119","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571848","31.387","0.002","15.0302","0.0005","34.2836","0.0016","90","","101.803","0.005","90","","15831.4","1.4","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C82.77 H61.36 I12 N24 O1.75 Zn6 -","- C82.77 H61.3556 I12 N24 O1.7538 Zn6 -","- C331.08 H245.422 I48 N96 O7.0152 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.2013","0.1782","","","0.4197","0.432","","","","","","1.064","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571849","78.813","0.002","14.9644","0.0003","41.657","0.0009","90","","100.061","0.002","90","","48374.3","1.9","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C118.14 H82.81 I18 N36 O2.03 Zn9 -","- C118.137 H82.8128 I18 N36 O2.0274 Zn9 -","- C945.096 H662.502 I144 N288 O16.2192 Zn72 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1789","0.1424","","","0.414","0.4404","","","","","","1.018","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571850","78.4975","0.0016","14.9701","0.0002","41.6228","0.0006","90","","100.008","0.002","90","","48167.3","1.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C133.79 H110.09 I18 N36 O2.89 Zn9 -","- C133.792 H110.093 I17.9994 N36 O2.8908 Zn8.9997 -","- C1070.33 H880.742 I143.995 N288 O23.1264 Zn71.9976 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1175","0.0931","","","0.2669","0.2849","","","","","","1.081","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571851","34.4145","0.0009","14.9918","0.0003","31.0574","0.001","90","","101.744","0.002","90","","15688.2","0.7","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C39.49 H27.72 I6 N12 O0.7 Zn3 -","- C39.486 H27.7184 I6 N12 O0.6972 Zn3 -","- C315.888 H221.747 I48 N96 O5.5776 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1173","0.0933","","","0.3037","0.3307","","","","","","1.063","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571852","77.629","0.003","15.0298","0.0004","41.5537","0.0014","90","","100.445","0.003","90","","47679","3","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C116 H81.63 I18 N36 O1.37 Zn9 -","- C116 H81.6268 I18 N36 O1.3656 Zn9 -","- C927.998 H653.014 I144 N288 O10.9248 Zn72 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.2313","0.1606","","","0.4665","0.527","","","","","","1.017","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571853","78.288","0.006","14.9666","0.0007","41.6314","0.0019","90","","99.913","0.006","90","","48051","5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C115.54 H80.04 I18 N36 O1.51 Zn9 -","- C115.538 H80.04 I17.9998 N36 O1.5075 Zn8.9999 -","- C924.3 H640.32 I143.998 N288 O12.06 Zn71.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.2225","0.1636","","","0.4455","0.4906","","","","","","1.028","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571854","34.4156","0.0009","15.0804","0.0003","30.0607","0.0016","90","","100.709","0.004","90","","15329.8","1","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6.0004 N12 Zn3.0002 -","- C288 H192 I48.0032 N96 Zn24.0016 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1041","0.0864","","","0.2709","0.289","","","","","","1.087","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571855","31.5433","0.0011","15.0035","0.0003","34.4229","0.0012","90","","101.974","0.003","90","","15936.5","0.9","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C87.42 H68.09 I12 N24 O2.31 Zn6 -","- C87.4212 H68.0876 I11.9996 N24 O2.3046 Zn5.9998 -","- C349.685 H272.35 I47.9984 N96 O9.2184 Zn23.9992 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1299","0.0978","","","0.2843","0.307","","","","","","1.05","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571856","34.48","0.0019","15.0207","0.0004","30.258","0.002","90","","101.076","0.006","90","","15379.1","1.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I5.9996 N12 Zn2.9998 -","- C288 H192 I47.9968 N96 Zn23.9984 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0866","0.0678","","","0.2252","0.2425","","","","","","1.082","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571857","78.834","0.003","14.969","0.0003","41.7028","0.0012","90","","100.198","0.003","90","","48435","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C143 H124.58 I18 N36 O3.73 Zn9 -","- C143.004 H124.581 I17.9998 N36 O3.7344 Zn8.9999 -","- C1144.03 H996.646 I143.998 N288 O29.8752 Zn71.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1488","0.1201","","","0.34","0.3586","","","","","","1.062","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571858","31.4571","0.0013","14.9918","0.0003","34.361","0.0012","90","","101.834","0.003","90","","15860.2","0.9","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C82.19 H58.83 I12 N24 O2.04 Zn6 -","- C82.194 H58.8326 I11.9978 N24 O2.0388 Zn5.9989 -","- C328.776 H235.33 I47.9912 N96 O8.1552 Zn23.9956 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1477","0.1135","","","0.3243","0.348","","","","","","1.057","","","","has coordinates,has disorder","292346","2024-06-13","02:33:14",""
"1571859","34.561","0.002","14.99","0.0006","31.38","0.003","90","","102.08","0.006","90","","15897","1.9","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C40.06 H28.33 I6 N12 O0.81 Zn3 -","- C40.062 H28.3328 I5.9998 N12 O0.8124 Zn2.9999 -","- C320.496 H226.662 I47.9984 N96 O6.4992 Zn23.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","K-L~3~","0.1181","0.0964","","","0.3059","0.3264","","","","","","1.067","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571860","31.5355","0.0009","14.9866","0.0004","34.4588","0.0011","90","","101.931","0.003","90","","15933.8","0.8","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C85.04 H63.33 I12 N24 O2.09 Zn6 -","- C85.0449 H64.3276 I12 N24 O2.0919 Zn6 -","- C340.18 H257.31 I48 N96 O8.3676 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1456","0.122","","","0.335","0.3509","","","","","","1.075","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571861","31.6699","0.0009","14.978","0.0002","34.5752","0.0009","90","","102.239","0.002","90","","16028","0.7","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C84.39 H63.55 I12 N24 O2 Zn6 -","- C84.3956 H63.5472 I12.0008 N24 O1.998 Zn6.0004 -","- C337.582 H254.189 I48.0032 N96 O7.992 Zn24.0016 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.12","0.0913","","","0.2718","0.2939","","","","","","1.069","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571862","31.5527","0.0006","14.9736","0.0002","34.5612","0.0006","90","","102.244","0.002","90","","15957.3","0.5","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C84.04 H62.85 I12 N24 O1.98 Zn6 -","- C84.045 H62.8444 I12.001 N24 O1.9812 Zn6.0005 -","- C336.18 H251.378 I48.004 N96 O7.9248 Zn24.002 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1047","0.0795","","","0.2493","0.2725","","","","","","1.039","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571863","31.5154","0.001","15.0261","0.0005","34.3648","0.0012","90","","101.863","0.003","90","","15926","0.9","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C84.74 H64.37 I12 N24 O1.95 Zn6 -","- C84.7347 H64.3708 I12 N24 O1.9497 Zn6 -","- C338.939 H257.483 I48 N96 O7.7988 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.158","0.1268","","","0.3621","0.3848","","","","","","1.058","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571864","34.581","0.0014","14.9867","0.0003","31.5551","0.0015","90","","102.106","0.004","90","","15989.9","1.1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C40.42 H28.72 I6 N12 O0.88 Zn3 -","- C40.425 H28.72 I6.001 N12 O0.885 Zn3.0005 -","- C323.4 H229.76 I48.008 N96 O7.08 Zn24.004 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1407","0.1233","","","0.3522","0.365","","","","","","1.052","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571865","31.6098","0.0009","15.0289","0.0002","34.3656","0.0008","90","","101.939","0.003","90","","15972.6","0.6","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C94.73 H79.09 I12 N24 O3.08 Zn6 -","- C94.7277 H79.0872 I12 N24 O3.0789 Zn6 -","- C378.911 H316.349 I48 N96 O12.3156 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1152","0.0957","","","0.2742","0.2871","","","","","","1.112","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571866","34.412","0.002","15.0303","0.0005","29.994","0.003","90","","100.858","0.007","90","","15235.8","1.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I5.9984 N12 Zn2.9992 -","- C288 H192 I47.9872 N96 Zn23.9936 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1166","0.0899","","","0.3042","0.3336","","","","","","1.105","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571867","31.5448","0.0008","14.9824","0.0002","34.3898","0.0008","90","","102.066","0.002","90","","15894.1","0.6","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C88.38 H69.11 I12 N24 O2.48 Zn6 -","- C88.3755 H69.1604 I12 N24 O2.4837 Zn6 -","- C353.502 H276.642 I48 N96 O9.9348 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1024","0.0825","","","0.2556","0.2729","","","","","","1.055","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571868","31.6622","0.0007","15.0003","0.0002","34.4418","0.0008","90","","102.214","0.002","90","","15987.6","0.6","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C82.5 H59.2 I12 N24 O2.1 Zn6 -","- C82.5015 H59.2016 I12 N24 O2.1003 Zn6 -","- C330.006 H236.806 I48 N96 O8.4012 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1587","0.1433","","","0.4434","0.4536","","","","","","1.039","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571869","31.4491","0.0006","15.0235","0.0002","34.215","0.0005","90","","101.68","0.002","90","","15831","0.4","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C87.95 H67.9 I12 N24 O2.58 Zn6 -","- C87.9552 H67.8984 I11.9998 N24 O2.574 Zn5.9999 -","- C351.821 H271.594 I47.9992 N96 O10.296 Zn23.9996 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0964","0.0803","","","0.247","0.2602","","","","","","1.045","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571870","31.5672","0.0006","15.0183","0.0002","34.3644","0.0005","90","","102.009","0.002","90","","15935.1","0.5","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C90.62 H72.78 I12 N24 O2.67 Zn6 -","- C90.6174 H72.772 I12 N24 O2.6706 Zn6 -","- C362.47 H291.088 I48 N96 O10.6824 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","K-L~3~","0.0931","0.0766","","","0.2403","0.2557","","","","","","1.046","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571871","31.479","0.0008","15.0233","0.0003","34.2503","0.0006","90","","101.732","0.002","90","","15859.2","0.6","100","0.1","100","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C85.35 H63.69 I12 N24 O2.36 Zn6 -","- C85.3548 H63.6916 I12 N24 O2.361 Zn6 -","- C341.419 H254.766 I48 N96 O9.444 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1418","0.1149","","","0.3535","0.3774","","","","","","1.016","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571872","31.549","0.0009","15.0248","0.0003","34.3298","0.001","90","","101.853","0.003","90","","15925.9","0.7","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C90.9 H73.02 I12 N24 O2.74 Zn6 -","- C90.9054 H73.0204 I12 N24 O2.7408 Zn6 -","- C363.622 H292.082 I48 N96 O10.9632 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1487","0.1239","","","0.3246","0.3421","","","","","","1.061","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571873","31.5077","0.0005","14.9991","0.0001","34.4289","0.0006","90","","102.086","0.001","90","","15910","0.4","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C100.99 H91.97 I12 N24 O2.88 Zn6 -","- C100.985 H92.5388 I12 N24 O2.8779 Zn6 -","- C403.938 H370.155 I48 N96 O11.5116 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0848","0.0705","","","0.2089","0.2208","","","","","","1.064","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571874","31.5685","0.0008","15.041","0.0003","34.3133","0.0009","90","","101.955","0.002","90","","15939.3","0.7","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C90.17 H71.8 I12 N24 O2.69 Zn6 -","- C90.1692 H71.7972 I11.9978 N24 O2.6874 Zn5.9989 -","- C360.677 H287.189 I47.9912 N96 O10.7496 Zn23.9956 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1411","0.1219","","","0.3322","0.3445","","","","","","1.091","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571875","34.3804","0.0016","15.0439","0.0005","30.32","0.0017","90","","101.107","0.005","90","","15388.2","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I5.9998 N12 Zn2.9999 -","- C288 H192 I47.9984 N96 Zn23.9992 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1379","0.1191","","","0.3901","0.4189","","","","","","1.116","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571876","31.6878","0.0007","14.9984","0.0003","34.4068","0.0008","90","","102.171","0.002","90","","15984.8","0.6","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C92.12 H75.43 I12 N24 O2.75 Zn6 -","- C92.1198 H75.4268 I12 N24 O2.7456 Zn6 -","- C368.479 H301.707 I48 N96 O10.9824 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1037","0.0874","","","0.2576","0.2691","","","","","","1.095","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571877","31.5313","0.0006","15.0299","0.0002","34.2616","0.0005","90","","101.863","0.002","90","","15890.2","0.5","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C88.1 H68.2 I12 N24 O2.57 Zn6 -","- C88.104 H68.2016 I11.9996 N24 O2.5728 Zn5.9998 -","- C352.416 H272.806 I47.9984 N96 O10.2912 Zn23.9992 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0972","0.0797","","","0.2613","0.2796","","","","","","1.035","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571878","31.6222","0.0019","14.9929","0.0006","34.405","0.002","90","","102.192","0.006","90","","15943.8","1.5","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","(2',6'-dimethoxy-[1,1'-biphenyl]-2-yl)methanol (absorbed in crystalline sponge)","","- C95.66 H80.05 I12.01 N24 O3.27 Zn6.01 -","- C95.6562 H80.0468 I12 N24 O3.2712 Zn6 -","- C382.625 H320.187 I48 N96 O13.0848 Zn24 -","4","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.1687","0.1477","","","0.3505","0.3623","","","","","","1.104","","","","has coordinates,has disorder","292346","2024-06-13","02:33:15",""
"1571879","35.2833","0.0005","14.9084","0.0002","31.7352","0.0004","90","","102.721","0.001","90","","16283.5","0.4","100","0.3","100","0.3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6 N12 Zn3 -","- C288 H192 I48 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0354","0.0323","","","0.0931","0.0946","","","","","","1.098","","","","has coordinates,has disorder","292346","2024-06-13","02:33:16",""
"1571880","35.3636","0.0007","14.9223","0.0002","31.7483","0.0006","90","","102.783","0.002","90","","16338.5","0.5","100.01","0.1","100.01","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6 N12 Zn3 -","- C288 H192 I48 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.053","0.0474","","","0.1466","0.1508","","","","","","1.083","","","","has coordinates,has disorder","292346","2024-06-13","02:33:16",""
"1571881","35.3704","0.0005","14.9099","0.0002","31.7401","0.0004","90","","102.78","0.001","90","","16324.1","0.4","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","catena-[bis(mu-2,4,6-tri(pyridin-4-yl)-1,3,5-triazine)-hexaiodo-tri-zinc","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6 N12 Zn3 -","- C288 H192 I48 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0489","0.0443","","","0.1357","0.1385","","","","","","1.118","","","","has coordinates,has disorder","292346","2024-06-13","02:33:16",""
"1571882","18.8343","0.0003","29.6438","0.0005","32.8648","0.0005","67.924","0.001","74.74","0.001","73.01","0.001","16016.3","0.5","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","phenyl(p-tolyl)methanone (absorbed in crystalline sponge)","","- C252.44 H188.95 I24 N48 O7.74 Zn12 -","- C252.444 H188.952 I24.0002 N48 O7.746 Zn12.0001 -","- C504.888 H377.904 I48.0004 N96 O15.492 Zn24.0002 -","2","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.129","0.1089","","","0.3369","0.3547","","","","","","1.045","","","","has coordinates,has disorder","292346","2024-06-13","02:33:16",""
"1571883","35.2498","0.0004","14.9012","0.0001","31.359","0.0004","90","","102.417","0.001","90","","16086.5","0.3","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","phenyl(p-tolyl)methanone","","- C36 H24 I6 N12 Zn3 -","- C36 H24 I6 N12 Zn3 -","- C288 H192 I48 N96 Zn24 -","8","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.0362","0.0302","","","0.0925","0.0952","","","","","","1.088","","","","has coordinates,has disorder","292346","2024-06-13","02:33:16",""
"1571884","15.0552","0.0006","18.943","0.0007","30.8258","0.0009","99.996","0.003","93.338","0.003","110.091","0.003","8064.7","0.5","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","phenyl(p-tolyl)methanone (absorbed in crystalline sponge)","","- C95.17 H67.86 I12 N24 O1.65 Zn6 -","- C95.1714 H67.8612 I12 N24 O1.6551 Zn6 -","- C190.343 H135.722 I24 N48 O3.3102 Zn12 -","2","1","LT5068","Carroll, Robert C.; Coles, Simon J.","Statistical optimization of guest uptake in crystalline sponges: grading structural outcomes.","IUCrJ","2024","11","4","","","10.1107/S2052252524004871","","x-ray","1.54184","CuKα","","0.2155","0.1831","","","0.5043","0.5273","","","","","","1.031","","","","has coordinates,has disorder","292346","2024-06-13","02:33:16",""
"1571933","25.733","0.002","25.06","0.002","20.5893","0.0016","90","","107.794","0.003","90","","12642.2","1.7","193","","193","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C106 H122 F4 N12 O2 S6 -","- C106 H122 F4 N12 O2 S6 -","- C424 H488 F16 N48 O8 S24 -","4","0.5","","Duan, Tainan; Wang, Jia; Zuo, Xiaochan; Bi, Xingqi; Zhong, Cheng; Li, Yulu; Long, Yuhong; Tu, Kaihuai; Zhang, Weichao; Yang, Ke; Zhou, Huiqiong; Wan, Xiangjian; Zhao, Yan; Kan, Bin; Chen, Yongsheng","The anti-correlation effect of alkyl chain size on the photovoltaic performance of centrally extended non-fullerene acceptors.","Materials horizons","2024","11","18","4413","4423","10.1039/d4mh00699b","","x-ray","1.34139","GaKα","","0.2404","0.1854","","","0.4187","0.45","","","","","","1.057","","","","has coordinates","295352","2024-10-06","09:32:56",""
"1571934","20.6737","0.0013","21.441","0.0015","25.983","0.0019","90","","107.449","0.004","90","","10987.4","1.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","CH-HP","","- C96 H102 F4 N12 O2 S6 -","- C96 H102 F4 N12 O2 S6 -","- C384 H408 F16 N48 O8 S24 -","4","1","","Duan, Tainan; Wang, Jia; Zuo, Xiaochan; Bi, Xingqi; Zhong, Cheng; Li, Yulu; Long, Yuhong; Tu, Kaihuai; Zhang, Weichao; Yang, Ke; Zhou, Huiqiong; Wan, Xiangjian; Zhao, Yan; Kan, Bin; Chen, Yongsheng","The anti-correlation effect of alkyl chain size on the photovoltaic performance of centrally extended non-fullerene acceptors.","Materials horizons","2024","11","18","4413","4423","10.1039/d4mh00699b","","","1.54178","CuKα","","0.2641","0.1561","","","0.3549","0.4147","","","","","","1.013","","","","has coordinates","295352","2024-10-06","09:32:58",""
"1571963","9.2242","0.0002","34.8178","0.0007","6.4291","0.0001","90","","92.597","0.002","90","","2062.69","0.07","200","2","200.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N16 O10 -","- C12 H20 N16 O10 -","- C48 H80 N64 O40 -","4","1","","Li, Yanqiang; Zhou, Yang; Ahmed, Belal; Xu, Qianting; Huang, Weiqi; Song, Yipeng; Song, Xianyu; Chen, Bin; Luo, Junhua; Zhao, Sangen","A highly birefringent metal-free crystal assembled by cooperative non-covalent interactions.","Materials horizons","2024","11","18","4393","4399","10.1039/d4mh00422a","","","1.54184","CuKα","","0.0312","0.0241","","","0.0625","0.0669","","","","","","1.0939","","","","has coordinates","295351","2024-10-06","09:32:29",""
"1572048","9.2454","0.0013","19.524","0.003","29.571","0.006","90","","92.763","0.007","90","","5331.6","1.6","193","","193","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C60 H64 B Cl N O3.5 P -","- C58.5 H58 B Cl N O2 P -","- C234 H232 B4 Cl4 N4 O8 P4 -","4","2","","Wang, Yu; Lv, Zi-Yi; Chen, Zi-Xuan; Xing, Shuai; Huo, Zhong-Zhong; Hong, Xian-Fang; Yuan, Li; Li, Wei; Zheng, You-Xuan","Multiple-resonance thermally activated delayed fluorescence materials based on phosphorus central chirality for efficient circularly polarized electroluminescence","Materials Horizons","2024","11","19","4722","4729","10.1039/D4MH00605D","","","1.54178","CuKα","","0.1465","0.0923","","","0.2425","0.2883","","","","","","1.009","","","","has coordinates,has disorder","295349","2024-10-06","09:31:48",""
"1572049","32.7114","0.0013","32.7114","0.0013","23.7266","0.0014","90","","90","","120","","21986.9","1.8","193","","193","","","","","","","","","7","P 32 2 1","P 32 2""","154","","","","- C69 H72 B Cl8 N2 O2 P -","- C64 H60 B N2 O P -","- C768 H720 B12 N24 O12 P12 -","12","2","","Wang, Yu; Lv, Zi-Yi; Chen, Zi-Xuan; Xing, Shuai; Huo, Zhong-Zhong; Hong, Xian-Fang; Yuan, Li; Li, Wei; Zheng, You-Xuan","Multiple-resonance thermally activated delayed fluorescence materials based on phosphorus central chirality for efficient circularly polarized electroluminescence","Materials Horizons","2024","11","19","4722","4729","10.1039/D4MH00605D","","x-ray","1.54178","CuKα","","0.1217","0.0827","","","0.2313","0.2824","","","","","","1.002","","","","has coordinates,has disorder","295349","2024-10-06","09:31:48",""
"1572118","11.0508","0.0008","16.0816","0.0011","28.825","0.002","90","","93.905","0.002","90","","5110.7","0.6","150","2","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C65 H59 B N2 -","- C65 H59 B N2 -","- C260 H236 B4 N8 -","4","1","","Cheng, Hu; Lan, Jingbo; Yang, Yudong; Bin, Zhengyang","Spirobifluorene-fused strategy enables pure-green multiple resonance emitters with low efficiency roll-off.","Materials horizons","2024","11","19","4674","4680","10.1039/d4mh00634h","","","0.71073","MoKα","","0.1033","0.0527","","","0.109","0.1371","","","","","","1.0913","","","","has coordinates,has disorder","295350","2024-10-06","09:32:11",""
"1572132","8.33375","0.00017","16.2999","0.0003","15.9774","0.0003","90","","96.7823","0.0018","90","","2155.17","0.07","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","MeBIMZnOAc","","- C20 H28 N4 O7 Zn -","- C20 H28 N4 O7 Zn -","- C80 H112 N16 O28 Zn4 -","4","0.5","","Chen, Tianhong; Ma, Yu-Juan; Xiao, Guowei; Fang, Xiaoyu; Liu, Yumin; Li, Kangjing; Yan, Dongpeng","The trade-off anionic modulation in metal-organic glasses showing color-tunable persistent luminescence.","Materials horizons","2024","11","20","4951","4960","10.1039/d4mh00771a","","","1.54184","CuKα","","0.0391","0.0388","","","0.1027","0.1029","","","","","","1.062","","","","has coordinates","296723","2024-12-06","20:58:37",""
"1572133","12.5588","0.0002","9.787","0.0001","14.6063","0.0002","90","","111.748","0.002","90","","1667.52","0.05","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","MeBIMZnCl","","- C16 H14 Cl2 N4 Zn -","- C16 H16 Cl2 N4 Zn -","- C64 H64 Cl8 N16 Zn4 -","4","1","","Chen, Tianhong; Ma, Yu-Juan; Xiao, Guowei; Fang, Xiaoyu; Liu, Yumin; Li, Kangjing; Yan, Dongpeng","The trade-off anionic modulation in metal-organic glasses showing color-tunable persistent luminescence.","Materials horizons","2024","11","20","4951","4960","10.1039/d4mh00771a","","","1.54184","CuKα","","0.0283","0.0276","","","0.0737","0.074","","","","","","1.079","","","","has coordinates","296723","2024-12-06","20:58:37",""
"1572134","12.6057","0.0002","9.9393","0.0001","14.6509","0.0002","90","","110.105","0.001","90","","1723.78","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","MeBIMZnBr","","- C16 H14 Br2 N4 Zn -","- C16 H16 Br2 N4 Zn -","- C64 H64 Br8 N16 Zn4 -","4","1","","Chen, Tianhong; Ma, Yu-Juan; Xiao, Guowei; Fang, Xiaoyu; Liu, Yumin; Li, Kangjing; Yan, Dongpeng","The trade-off anionic modulation in metal-organic glasses showing color-tunable persistent luminescence.","Materials horizons","2024","11","20","4951","4960","10.1039/d4mh00771a","","","1.54184","CuKα","","0.0248","0.0241","","","0.0605","0.061","","","","","","1.103","","","","has coordinates","296723","2024-12-06","20:58:37",""
"1572205","10.708","0.003","16.476","0.004","10.065","0.004","90","","110.43","0.02","90","","1664","0.9","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","olanzapine","","","- C17 H20 N4 S -","- C17 H20 N4 S -","- C68 H80 N16 S4 -","4","1","UR5003","Anyfanti, Goulielmina; Husanu, Elena; Andrusenko, Iryna; Marchetti, Danilo; Gemmi, Mauro","The crystal structure of olanzapine form III.","IUCrJ","2024","11","5","","","10.1107/S2052252524007383","","electron","0.0335","electrons120keV","","0.2015","0.1158","","","0.1139","0.1244","","","","0","0","2.23","","","","has coordinates","293592","2024-07-30","02:08:21",""
"1572227","4.3815","0.0013","4.3815","0.0013","7.183","0.004","90","","90","","120","","119.42","0.08","81.15","","81.15","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- H2 O -","- H2 O -","- H8 O4 -","4","0.166667","VQ5006","Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof","Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.","IUCrJ","2024","11","5","","","10.1107/S2052252524006808","","electron","0.0251","electron","","0.2303","0.2096","","","0.2372","0.2392","","","","10.6381","10.6381","9.2439","","","","has coordinates","293634","2024-08-02","02:12:04",""
"1572228","4.3815","0.0013","4.3815","0.0013","7.183","0.004","90","","90","","120","","119.42","0.08","81.15","","81.15","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- H2 O -","- H2 O -","- H8 O4 -","4","0.166667","VQ5006","Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof","Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.","IUCrJ","2024","11","5","","","10.1107/S2052252524006808","","electron","0.0251","electron","","0.1282","0.1027","","","0.1231","0.1287","","","","3.222","3.222","2.5372","","","","has coordinates","293634","2024-08-02","02:12:05",""
"1572229","4.3815","0.0013","4.3815","0.0013","7.183","0.004","90","","90","","120","","119.42","0.08","81.15","","81.15","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- H1.999998 O1.000002 -","- H2 O -","- H8 O4 -","4","0.166667","VQ5006","Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof","Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.","IUCrJ","2024","11","5","","","10.1107/S2052252524006808","","electron","0.0251","electron","","0.1657","0.1434","","","0.1629","0.1656","","","","7.3676","7.3676","6.4507","","","","has coordinates","293634","2024-08-02","02:12:05",""
"1572230","4.3815","0.0013","4.3815","0.0013","7.183","0.004","90","","90","","120","","119.42","0.08","81.15","","81.15","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- H2 O -","- H1.99998 O1.00002 -","- H7.99992 O4.00008 -","4","0.166667","","Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof","Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.","IUCrJ","2024","11","5","","","10.1107/S2052252524006808","","","0.0251","electron","","0.2044","0.1934","","","0.376","0.3869","","","","","","1.7647","","","","has coordinates","293634","2024-08-02","02:12:05",""
"1572231","4.3815","0.0013","4.3815","0.0013","7.183","0.004","90","","90","","120","","119.42","0.08","81.15","","81.15","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- H2 O -","- H1.99998 O1.00002 -","- H7.99992 O4.00008 -","4","0.166667","","Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof","Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.","IUCrJ","2024","11","5","","","10.1107/S2052252524006808","","","0.0251","electron","","0.1288","0.1143","","","0.3363","0.3491","","","","","","1.3836","","","","has coordinates","293634","2024-08-02","02:12:05",""
"1572232","4.3815","0.0013","4.3815","0.0013","7.183","0.004","90","","90","","120","","119.42","0.08","81.15","","81.15","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- H2 O -","- H1.99998 O1.00002 -","- H7.99992 O4.00008 -","4","0.166667","","Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof","Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.","IUCrJ","2024","11","5","","","10.1107/S2052252524006808","","","0.0251","electron","","0.1246","0.1062","","","0.2812","0.2955","","","","","","1.0522","","","","has coordinates","293634","2024-08-02","02:12:05",""
"1572233","4.3815","0.0013","4.3815","0.0013","7.183","0.004","90","","90","","120","","119.42","0.08","81.15","","81.15","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- H2 O -","- H2 O -","- H8 O4 -","4","0.166667","","Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof","Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.","IUCrJ","2024","11","5","","","10.1107/S2052252524006808","","","0.0251","electron","","0.2209","0.2106","","","0.3882","0.4004","","","","","","1.6241","","","","has coordinates","293634","2024-08-02","02:12:05",""
"1572234","4.3815","0.0013","4.3815","0.0013","7.183","0.004","90","","90","","120","","119.42","0.08","81.15","","81.15","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- H2 O -","- H2 O -","- H8 O4 -","4","0.166667","","Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof","Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.","IUCrJ","2024","11","5","","","10.1107/S2052252524006808","","","0.0251","electron","","0.1234","0.1089","","","0.3272","0.3404","","","","","","1.3472","","","","has coordinates","293634","2024-08-02","02:12:05",""
"1572235","4.3815","0.0013","4.3815","0.0013","7.183","0.004","90","","90","","120","","119.42","0.08","81.15","","81.15","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- H2 O -","- H1.99998 O1.00002 -","- H7.99992 O4.00008 -","4","0.166667","","Chodkiewicz, Michał Leszek; Olech, Barbara; Jha, Kunal Kumar; Dominiak, Paulina Maria; Woźniak, Krzysztof","Hirshfeld atom refinement and dynamical refinement of hexagonal ice structure from electron diffraction data.","IUCrJ","2024","11","5","","","10.1107/S2052252524006808","","","0.0251","electron","","0.1212","0.1031","","","0.2729","0.2876","","","","","","1.0107","","","","has coordinates","293634","2024-08-02","02:12:05",""
"1572366","15.35","0.05","13.56","0.07","16.5","0.05","90","","90","","90","","3434","2","80","2","80","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Fe O6 -","- C15 H21 Fe O6 -","- C120 H168 Fe8 O48 -","8","1","","Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong","On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.","IUCrJ","2024","11","5","","","10.1107/S2052252524006730","","","0.01967","synchrotron","","0.2279","0.1936","","","0.4551","0.4737","","","","","","1.2582","","","","has coordinates","294150","2024-08-16","02:25:54",""
"1572367","15.35","0.05","13.56","0.07","16.5","0.05","90","","90","","90","","3434","2","80","2","80","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Fe O6 -","- C15 H21 Fe O6 -","- C120 H168 Fe8 O48 -","8","1","","Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong","On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.","IUCrJ","2024","11","5","","","10.1107/S2052252524006730","","","0.01967","synchrotron","","0.2275","0.1934","","","0.4556","0.4745","","","","","","1.2359","","","","has coordinates","294150","2024-08-16","02:25:56",""
"1572368","15.35","0.05","13.56","0.07","16.5","0.05","90","","90","","90","","3434","2","80","2","80","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Fe O6 -","- C15 H21 Fe O6 -","- C120 H168 Fe8 O48 -","8","1","","Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong","On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.","IUCrJ","2024","11","5","","","10.1107/S2052252524006730","","","0.01967","synchrotron","","0.2379","0.2045","","","0.4712","0.4905","","","","","","1.2336","","","","has coordinates","294150","2024-08-16","02:25:56",""
"1572369","15.35","0.05","13.56","0.07","16.5","0.05","90","","90","","90","","3434","2","80","2","80","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Fe O6 -","- C15 H21 Fe O6 -","- C120 H168 Fe8 O48 -","8","1","","Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong","On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.","IUCrJ","2024","11","5","","","10.1107/S2052252524006730","","","0.01967","synchrotron","","0.2098","0.1746","","","0.4012","0.4211","","","","","","1.0439","","","","has coordinates,has disorder","294150","2024-08-16","02:25:56",""
"1572370","15.35","0.05","13.56","0.07","16.5","0.05","90","","90","","90","","3434","2","80","2","80","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Fe O6 -","- C15 H21 Fe O6 -","- C120 H168 Fe8 O48 -","8","1","","Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong","On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.","IUCrJ","2024","11","5","","","10.1107/S2052252524006730","","","0.01967","synchrotron","","0.2101","0.1749","","","0.4009","0.4208","","","","","","1.044","","","","has coordinates","294150","2024-08-16","02:25:56",""
"1572371","15.19","0.003","13.39","0.003","16.369","0.003","90","","90","","90","","3329.4","1.2","100","2","100.04","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Fe O6 -","- C15 H21 Fe O6 -","- C120 H168 Fe8 O48 -","8","1","","Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong","On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.","IUCrJ","2024","11","5","","","10.1107/S2052252524006730","","","1.54178","CuKα","","0.0305","0.0282","","","0.0801","0.0817","","","","","","1.0413","","","","has coordinates","294150","2024-08-16","02:25:56",""
"1572372","15.1898","0.0003","13.3897","0.0002","16.3685","0.0003","90","","90","","90","","3329.14","0.1","100","2","100.04","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Fe O6 -","- C15 H21 Fe O6 -","- C120 H168 Fe8 O48 -","8","1","","Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong","On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.","IUCrJ","2024","11","5","","","10.1107/S2052252524006730","","","1.54178","CuKα","","0.0243","0.0217","","","0.0533","0.0545","","","","","","1.0437","","","","has coordinates,has disorder","294150","2024-08-16","02:25:56",""
"1572373","15.1898","0.0003","13.3897","0.0002","16.3685","0.0003","90","","90","","90","","3329.14","0.1","100","2","100.04","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H21 Fe O6 -","- C15 H21 Fe O6 -","- C120 H168 Fe8 O48 -","8","1","","Pacoste, Laura; Ignat'ev, Vladislav Mikhailovich; Dominiak, Paulina Maria; Zou, Xiaodong","On the structure refinement of metal complexes against 3D electron diffraction data using multipolar scattering factors.","IUCrJ","2024","11","5","","","10.1107/S2052252524006730","","","1.54178","CuKα","","0.0257","0.0232","","","0.0593","0.0604","","","","","","1.1402","","","","has coordinates","294150","2024-08-16","02:25:56",""
"1572391","7.0832","0.0019","11.664","0.003","13.43","0.004","98.143","0.012","95.04","0.012","94.764","0.012","1089","0.5","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N16 O12 -","- C13 H10 N16 O12 -","- C26 H20 N32 O24 -","2","1","","Li, Chengchuang; Zhu, Teng; Tang, Jie; Lei, Caijin; Yu, Guoyang; Yang, Yanqiang; Yang, Hongwei; Xiao, Chuan; Cheng, Guangbin","An advanced furoxan-bridged heat-resistant explosive.","Materials horizons","2024","11","22","5701","5708","10.1039/d4mh00999a","","","1.54178","CuKα","","0.102","0.0597","","","0.1494","0.1794","","","","","","0.954","","","","has coordinates,has disorder","296721","2024-12-06","20:58:07",""
"1572392","6.4781","0.0002","13.5834","0.0003","14.1528","0.0004","71","0.001","81.949","0.002","88.87","0.001","1165.47","0.06","193","","193","","","","","","","","","4","P -1","-P 1","2","","123","","- C15.5 H9.25 N17.75 O10 -","- C15.5 H9.25 N17.75 O10 -","- C31 H18.5 N35.5 O20 -","2","1","","Li, Chengchuang; Zhu, Teng; Tang, Jie; Lei, Caijin; Yu, Guoyang; Yang, Yanqiang; Yang, Hongwei; Xiao, Chuan; Cheng, Guangbin","An advanced furoxan-bridged heat-resistant explosive.","Materials horizons","2024","11","22","5701","5708","10.1039/d4mh00999a","","","1.54178","CuKα","","0.0701","0.0406","","","0.1022","0.1104","","","","","","1.053","","","","has coordinates,has disorder","296721","2024-12-06","20:58:07",""
"1572393","23.6344","0.0006","8.8105","0.0002","18.3794","0.0005","90","","110.356","0.001","90","","3588.15","0.16","193","","193.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C20 H28 N16 O14 S4 -","- C20 H28 N16 O14 S4 -","- C80 H112 N64 O56 S16 -","4","1","","Li, Chengchuang; Zhu, Teng; Tang, Jie; Lei, Caijin; Yu, Guoyang; Yang, Yanqiang; Yang, Hongwei; Xiao, Chuan; Cheng, Guangbin","An advanced furoxan-bridged heat-resistant explosive.","Materials horizons","2024","11","22","5701","5708","10.1039/d4mh00999a","","","1.54178","CuKα","","0.0481","0.0423","","","0.1088","0.1128","","","","","","1.032","","","","has coordinates,has disorder","296721","2024-12-06","20:58:07",""
"1572394","9.2092","0.0011","10.8368","0.0013","14.142","0.0016","105.307","0.004","91.114","0.004","99.187","0.004","1341","0.3","198","","198","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 N16 O14 -","- C16 H20 N16 O14 -","- C32 H40 N32 O28 -","2","1","","Li, Chengchuang; Zhu, Teng; Tang, Jie; Lei, Caijin; Yu, Guoyang; Yang, Yanqiang; Yang, Hongwei; Xiao, Chuan; Cheng, Guangbin","An advanced furoxan-bridged heat-resistant explosive.","Materials horizons","2024","11","22","5701","5708","10.1039/d4mh00999a","","","0.71073","MoKα","","0.1079","0.0626","","","0.1452","0.1751","","","","","","1.057","","","","has coordinates,has disorder","296721","2024-12-06","20:58:08",""
"1572395","16.0839","0.0005","14.224","0.0007","10.1393","0.0003","109.816","0.004","98.398","0.002","85.874","0.003","2158.26","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 Au O P -","- C25 H24 Au O P -","- C100 H96 Au4 O4 P4 -","4","2","LT5070","Jastrzębska, Róża; Poręba, Tomasz; Cova, Federico; Tchoń, Daniel M; Makal, Anna","Structure-property relationship of a complex photoluminescent arylacetylide-gold(I) compound. I: a pressure-induced phase transformation caught in the act.","IUCrJ","2024","11","5","","","10.1107/S2052252524007681","","","0.71073","MoKα","","0.07","0.0396","","","0.0713","0.0816","","","","","","1.029","","","","has coordinates,has disorder","294215","2024-08-24","02:32:52",""
"1572396","15.906","0.007","13.677","0.002","9.7733","0.0014","109.591","0.015","98.2","0.02","86.14","0.03","1982.2","1","293","2","293","2","","","800000","","","Pressurized to 0.8 GPa and measured without additional time for stabilization.","","5","P -1","-P 1","2","","","","- C25 H24 Au O P -","- C25 H24 Au O P -","- C100 H96 Au4 O4 P4 -","4","2","","Jastrzębska, Róża; Poręba, Tomasz; Cova, Federico; Tchoń, Daniel M; Makal, Anna","Structure-property relationship of a complex photoluminescent arylacetylide-gold(I) compound. I: a pressure-induced phase transformation caught in the act.","IUCrJ","2024","11","5","","","10.1107/S2052252524007681","","x-ray","0.41004","synchrotron","","0.3242","0.1229","","","0.2712","0.3677","","","","","","0.914","","","","has coordinates,has disorder","294215","2024-08-24","02:32:53",""
"1572397","16.13","0.04","6.7304","0.0009","18.096","0.003","90","","97.93","0.08","90","","1946","5","293","2","293","2","","","800000","","","Pressurized to 0.8 GPa and left to stabilize over 0.5 hours.","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Au O P -","- C25 H24 Au O P -","- C100 H96 Au4 O4 P4 -","4","1","","Jastrzębska, Róża; Poręba, Tomasz; Cova, Federico; Tchoń, Daniel M; Makal, Anna","Structure-property relationship of a complex photoluminescent arylacetylide-gold(I) compound. I: a pressure-induced phase transformation caught in the act.","IUCrJ","2024","11","5","","","10.1107/S2052252524007681","","x-ray","0.41004","synchrotron","","0.4117","0.1721","","","0.3743","0.4834","","","","","","0.997","","","","has coordinates","294215","2024-08-24","02:32:54",""
"1572398","16.0966","0.0004","6.6284","0.00013","17.9473","0.0014","90","","97.886","0.006","90","","1896.77","0.16","293","2","293","2","","","1100000","50000","","pressurized to 1.1 GPa and left to stabilize over 20 min.","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Au O P -","- C25 H24 Au O P -","- C100 H96 Au4 O4 P4 -","4","1","","Jastrzębska, Róża; Poręba, Tomasz; Cova, Federico; Tchoń, Daniel M; Makal, Anna","Structure-property relationship of a complex photoluminescent arylacetylide-gold(I) compound. I: a pressure-induced phase transformation caught in the act.","IUCrJ","2024","11","5","","","10.1107/S2052252524007681","","","0.41097","synchrotron","","0.0795","0.0554","","","0.1747","0.229","","","","","","1.0247","","","","has coordinates","294215","2024-08-24","02:32:54",""
"1572415","43.7","0.12","5.19","0.07","33.43","0.07","90","","100.73","0.09","90","","7449","10","87","2","87","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","indomethacin","[1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indol-3-yl]acetic acid","","- C19 H16 Cl N O4 -","- C19 H16 Cl N O4 -","- C304 H256 Cl16 N16 O64 -","16","2","OF5005","Leung, Helen W.; Copley, Royston C. B.; Lampronti, Giulio I.; Day, Sarah J.; Saunders, Lucy K.; Johnstone, Duncan N.; Midgley, Paul A.","From formulation to structure: 3D electron diffraction for the structure solution of a new indomethacin polymorph from an amorphous solid dispersion.","IUCrJ","2024","11","5","","","10.1107/S2052252524008121","","","0.0197","electron","","0.3254","0.2822","","","0.6107","0.6347","","","","","","1.165","","","","has coordinates","294272","2024-08-29","02:07:26",""
"1572585","13.7492","0.0001","7.6679","0.0001","16.9206","0.0001","90","","103.633","0.001","90","","1733.64","0.03","297.99","0.1","297.99","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","R-ABA.[Pt(ppy)Cl2]","","- C15 H18 Cl2 N2 O2 Pt -","- C15 H18 Cl2 N2 O2 Pt -","- C60 H72 Cl8 N8 O8 Pt4 -","4","2","","Ren, Jiajia; He, Tengfei; Lu, Haolin; Wang, Hebin; Shao, Tianyin; Wang, Zhaoyu; Zhang, Yunxin; Gull, Sehrish; Chi, Yun; Zhong, Yu-Wu; Chen, Yongsheng; Long, Guankui","Tuning the circularly polarized phosphorescence of platinum(II) complexes through a chiral cation strategy.","Materials horizons","2024","11","23","6089","6097","10.1039/d4mh01105h","","x-ray","1.54184","CuKα","","0.0429","0.039","","","0.1089","0.1125","","","","","","0.869","","","","has coordinates","296724","2024-12-06","20:59:13",""
"1572586","13.7376","0.0001","7.6728","0.0001","16.9169","0.0002","90","","103.616","0.001","90","","1733.03","0.03","298","0.14","298","0.14","","","","","","","","6","P 1 21 1","P 2yb","4","","S-ABA.[Pt(ppy)Cl2]","","- C15 H18 Cl2 N2 O2 Pt -","- C15 H18 Cl2 N2 O2 Pt -","- C60 H72 Cl8 N8 O8 Pt4 -","4","2","","Ren, Jiajia; He, Tengfei; Lu, Haolin; Wang, Hebin; Shao, Tianyin; Wang, Zhaoyu; Zhang, Yunxin; Gull, Sehrish; Chi, Yun; Zhong, Yu-Wu; Chen, Yongsheng; Long, Guankui","Tuning the circularly polarized phosphorescence of platinum(II) complexes through a chiral cation strategy.","Materials horizons","2024","11","23","6089","6097","10.1039/d4mh01105h","","x-ray","1.54184","CuKα","","0.0312","0.028","","","0.0761","0.0783","","","","","","1.11","","","","has coordinates","296724","2024-12-06","20:59:14",""
"1572587","23.2773","0.0004","6.0285","0.0001","13.0805","0.0002","90","","90","","90","","1835.55","0.05","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","R-MBA.[Pt(ppy)Cl2]","","- C19 H20 Cl2 N2 Pt -","- C19 H20 Cl2 N2 Pt -","- C76 H80 Cl8 N8 Pt4 -","4","1","","Ren, Jiajia; He, Tengfei; Lu, Haolin; Wang, Hebin; Shao, Tianyin; Wang, Zhaoyu; Zhang, Yunxin; Gull, Sehrish; Chi, Yun; Zhong, Yu-Wu; Chen, Yongsheng; Long, Guankui","Tuning the circularly polarized phosphorescence of platinum(II) complexes through a chiral cation strategy.","Materials horizons","2024","11","23","6089","6097","10.1039/d4mh01105h","","x-ray","1.54184","CuKa","","0.0405","0.0387","","","0.1055","0.1068","","","","","","1.067","","","","has coordinates","296724","2024-12-06","20:59:14",""
"1572588","6.0297","0.0001","13.0932","0.0003","23.2882","0.0005","90","","90","","90","","1838.56","0.07","100.01","0.19","100.01","0.19","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","S-MBA.[Pt(ppy)Cl2]","","- C19 H20 Cl2 N2 Pt -","- C19 H20 Cl2 N2 Pt -","- C76 H80 Cl8 N8 Pt4 -","4","1","","Ren, Jiajia; He, Tengfei; Lu, Haolin; Wang, Hebin; Shao, Tianyin; Wang, Zhaoyu; Zhang, Yunxin; Gull, Sehrish; Chi, Yun; Zhong, Yu-Wu; Chen, Yongsheng; Long, Guankui","Tuning the circularly polarized phosphorescence of platinum(II) complexes through a chiral cation strategy.","Materials horizons","2024","11","23","6089","6097","10.1039/d4mh01105h","","x-ray","1.54184","CuKα","","0.0969","0.0756","","","0.1608","0.1689","","","","","","1.021","","","","has coordinates","296724","2024-12-06","20:59:14",""
"1572589","13.7103","0.0004","7.5618","0.0003","16.8169","0.0006","90","","103.556","0.003","90","","1694.91","0.11","100","0.2","100","0.2","","","","","","","","6","P 1 21 1","P 2yb","4","","S-ABA.[Pt(ppy)Cl2]","","- C15 H18 Cl2 N2 O2 Pt -","- C15 H18 Cl2 N2 O2 Pt -","- C60 H72 Cl8 N8 O8 Pt4 -","4","2","","Ren, Jiajia; He, Tengfei; Lu, Haolin; Wang, Hebin; Shao, Tianyin; Wang, Zhaoyu; Zhang, Yunxin; Gull, Sehrish; Chi, Yun; Zhong, Yu-Wu; Chen, Yongsheng; Long, Guankui","Tuning the circularly polarized phosphorescence of platinum(II) complexes through a chiral cation strategy.","Materials horizons","2024","11","23","6089","6097","10.1039/d4mh01105h","","x-ray","1.54184","CuKα","","0.0466","0.0412","","","0.1034","0.1067","","","","","","0.995","","","","has coordinates","296724","2024-12-06","20:59:14",""
"1572590","6.1233","0.0007","13.2555","0.0014","23.26","0.003","90","","90","","90","","1888","0.4","295","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","S-MBA.[Pt(ppy)Cl2]","","- C19 H20 Cl2 N2 Pt -","- C19 H20 Cl2 N2 Pt -","- C76 H80 Cl8 N8 Pt4 -","4","1","","Ren, Jiajia; He, Tengfei; Lu, Haolin; Wang, Hebin; Shao, Tianyin; Wang, Zhaoyu; Zhang, Yunxin; Gull, Sehrish; Chi, Yun; Zhong, Yu-Wu; Chen, Yongsheng; Long, Guankui","Tuning the circularly polarized phosphorescence of platinum(II) complexes through a chiral cation strategy.","Materials horizons","2024","11","23","6089","6097","10.1039/d4mh01105h","","x-ray","0.71073","MoKα","","0.0726","0.0455","","","0.0828","0.0889","","","","","","0.98","","","","has coordinates","296724","2024-12-06","20:59:14",""
"1572591","23.2671","0.001","6.1257","0.0003","13.2471","0.0006","90","","90","","90","","1888.07","0.15","279","8","298","8","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","R-MBA.[Pt(ppy)Cl2]","","- C19 H20 Cl2 N2 Pt -","- C19 H20 Cl2 N2 Pt -","- C76 H80 Cl8 N8 Pt4 -","4","1","","Ren, Jiajia; He, Tengfei; Lu, Haolin; Wang, Hebin; Shao, Tianyin; Wang, Zhaoyu; Zhang, Yunxin; Gull, Sehrish; Chi, Yun; Zhong, Yu-Wu; Chen, Yongsheng; Long, Guankui","Tuning the circularly polarized phosphorescence of platinum(II) complexes through a chiral cation strategy.","Materials horizons","2024","11","23","6089","6097","10.1039/d4mh01105h","","x-ray","0.71073","MoKα","","0.0383","0.0285","","","0.051","0.0525","","","","","","0.988","","","","has coordinates","296724","2024-12-06","20:59:14",""
"1572607","10.998","0.003","11.807","0.004","16.29","0.005","90","","101.724","0.009","90","","2071.2","1.1","302","2","302","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N4 -","- C24 H26 N4 -","- C96 H104 N16 -","4","1","","Ran, Xiao-Yun; Xia, Wen-Li; Zhang, Li-Na; Yu, Xiao-Qi; Chen, Ping; Xie, Kun-Peng; Zhao, Yu; Yi, Cheng; Li, Kun","<i>De novo</i> design of type-l photosensitizer agents based on structure-inherent low triplet energy for hypoxia photodynamic therapy.","Materials horizons","2024","11","22","5589","5599","10.1039/d4mh01167h","","","0.71073","MoKα","","0.0856","0.0476","","","0.1068","0.1319","","","","","","1.022","","","","has coordinates,has disorder","296722","2024-12-06","20:58:21",""
"1572608","10.9276","0.0017","11.2557","0.0014","12.9931","0.0019","72.277","0.005","82.974","0.006","76.606","0.005","1478.6","0.4","302","2","302","","","","","","","","","4","P -1","-P 1","2","","","","- C33 H40 Br N3 -","- C33 H40 Br N3 -","- C66 H80 Br2 N6 -","2","1","","Ran, Xiao-Yun; Xia, Wen-Li; Zhang, Li-Na; Yu, Xiao-Qi; Chen, Ping; Xie, Kun-Peng; Zhao, Yu; Yi, Cheng; Li, Kun","<i>De novo</i> design of type-l photosensitizer agents based on structure-inherent low triplet energy for hypoxia photodynamic therapy.","Materials horizons","2024","11","22","5589","5599","10.1039/d4mh01167h","","","0.71073","MoKα","","0.1254","0.0824","","","0.2334","0.2699","","","","","","1.044","","","","has coordinates","296722","2024-12-06","20:58:21",""
"1572609","14.174","0.003","11.712","0.002","19.739","0.003","90","","109.259","0.006","90","","3093.4","1","195","2","195","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 Cl2 N5 O -","- C33 H35 Cl2 N5 O -","- C132 H140 Cl8 N20 O4 -","4","1","","Ran, Xiao-Yun; Xia, Wen-Li; Zhang, Li-Na; Yu, Xiao-Qi; Chen, Ping; Xie, Kun-Peng; Zhao, Yu; Yi, Cheng; Li, Kun","<i>De novo</i> design of type-l photosensitizer agents based on structure-inherent low triplet energy for hypoxia photodynamic therapy.","Materials horizons","2024","11","22","5589","5599","10.1039/d4mh01167h","","","0.71073","MoKα","","0.0971","0.0631","","","0.1547","0.18","","","","","","1.024","","","","has coordinates,has disorder","296722","2024-12-06","20:58:21",""
"1572959","4.72942","","10.1528","","5.94525","","90","","90","","90","","285.472","","","","","","","","","","","","computation","3","P 1","P 1","1","magnesium silicate","magnesium silicate","forsterite","- Mg8 O16 Si4 -","- Mg8 O16 Si4 -","- Mg8 O16 Si4 -","1","1","","Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.","Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.","IUCrJ","2024","11","6","","","10.1107/S2052252524009722","","","","","","","","","","","","","","","","","","","","","has coordinates","295660","2024-10-29","02:56:10",""
"1572960","4.756","","10.2035","","5.983","","90","","90","","90","","290.342","","","","","","","","","","","","computation","3","P 1","P 1","1","magnesium silicate","magnesium silicate","forsterite","- Mg8 O16 Si4 -","- Mg8 O16 Si4 -","- Mg8 O16 Si4 -","1","1","","Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.","Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.","IUCrJ","2024","11","6","","","10.1107/S2052252524009722","","","","","","","","","","","","","","","","","","","","","has coordinates","295660","2024-10-29","02:56:13",""
"1572961","9.5166","","10.2043","","11.9748","","90","","90","","90","","1162.88","","","","","","","","","","","","computation","3","P 1","P 1","1","magnesium silicate","magnesium silicate","forsterite","- Mg33 O64 Si16 -","- Mg33 O64 Si16 -","- Mg33 O64 Si16 -","1","1","","Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.","Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.","IUCrJ","2024","11","6","","","10.1107/S2052252524009722","","","","","","","","","","","","","","","","","","","","","has coordinates","295660","2024-10-29","02:56:24",""
"1572962","9.5167","","10.2047","","11.9746","","90","","90","","90","","1162.91","","","","","","","","","","","","computation","3","P 1","P 1","1","magnesium silicate","magnesium silicate","forsterite","- Mg33 O64 Si16 -","- Mg33 O64 Si16 -","- Mg33 O64 Si16 -","1","1","","Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.","Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.","IUCrJ","2024","11","6","","","10.1107/S2052252524009722","","","","","","","","","","","","","","","","","","","","","has coordinates","295660","2024-10-29","02:56:26",""
"1572963","9.517","","10.2042","","11.9739","","90","","90","","90","","1162.83","","","","","","","","","","","","computation","3","P 1","P 1","1","magnesium silicate","magnesium silicate","forsterite","- Mg32 O65 Si16 -","- Mg32 O65 Si16 -","- Mg32 O65 Si16 -","1","1","","Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.","Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.","IUCrJ","2024","11","6","","","10.1107/S2052252524009722","","","","","","","","","","","","","","","","","","","","","has coordinates","295660","2024-10-29","02:56:26",""
"1572964","9.5164","","10.2043","","11.975","","90","","90","","90","","1162.87","","","","","","","","","","","","computation","3","P 1","P 1","1","magnesium silicate","magnesium silicate","forsterite","- Mg32 O64 Si17 -","- Mg32 O64 Si17 -","- Mg32 O64 Si17 -","1","1","","Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.","Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.","IUCrJ","2024","11","6","","","10.1107/S2052252524009722","","","","","","","","","","","","","","","","","","","","","has coordinates","295660","2024-10-29","02:56:27",""
"1572965","9.5166","","10.2044","","11.9744","","90","","90","","90","","1162.85","","","","","","","","","","","","computation","3","P 1","P 1","1","magnesium silicate","magnesium silicate","forsterite","- Mg32 O63 Si16 -","- Mg32 O63 Si16 -","- Mg32 O63 Si16 -","1","1","","Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.","Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.","IUCrJ","2024","11","6","","","10.1107/S2052252524009722","","","","","","","","","","","","","","","","","","","","","has coordinates","295660","2024-10-29","02:56:27",""
"1572966","4.7542","0.0005","10.2048","0.0013","5.9839","0.0007","90","","90","","90","","290.31","0.06","295","2","295","2","","","","","","","synthetic","3","P b n m","-P 2c 2ab","62","magnesium silicate","magnesium silicate","forsterite","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg8 O16 Si4 -","4","0.5","","Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.","Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.","IUCrJ","2024","11","6","","","10.1107/S2052252524009722","powder diffraction","x-ray","1.5406","CuKα","","0.4142","","","","","","","","1.24","","","","","","","has coordinates","295660","2024-10-29","02:56:27",""
"1572967","4.7523","0.0002","10.2027","0.0004","5.9821","0.0002","90","","90","","90","","290.05","0.019","295","2","295","2","","","","","","","synthetic","3","P b n m","-P 2c 2ab","62","magnesium silicate","magnesium silicate","forsterite","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg8 O16 Si4 -","4","0.5","","Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.","Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.","IUCrJ","2024","11","6","","","10.1107/S2052252524009722","powder diffraction","x-ray","1.5406","CuKα","","0.5456","","","","","","","","1.19","","","","","","","has coordinates","295660","2024-10-29","02:56:27",""
"1572968","4.753","0.0001","10.2084","0.0002","5.9848","0.0001","90","","90","","90","","290.386","0.01","295","2","295","2","","","","","","","synthetic","3","P b n m","-P 2c 2ab","62","magnesium silicate","magnesium silicate","forsterite","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg8 O16 Si4 -","4","0.5","","Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.","Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.","IUCrJ","2024","11","6","","","10.1107/S2052252524009722","powder diffraction","x-ray","1.5406","CuKα","","0.1585","","","","","","","","1.13","","","","","","","has coordinates","295660","2024-10-29","02:56:27",""
"1572969","4.7515","0.0001","10.2127","0.0002","5.9854","0.0001","90","","90","","90","","290.445","0.01","295","2","295","2","","","","","","","synthetic","3","P b n m","-P 2c 2ab","62","magnesium silicate","magnesium silicate","forsterite","- Mg2 O4 Si -","- Mg2 O4 Si -","- Mg8 O16 Si4 -","4","0.5","","Jundullah Hanafi, Muchammad Izzuddin; Bastonero, Lorenzo; Murshed, Mohammad Mangir; Robben, Lars; Dononelli, Wilke; Kirsch, Andrea; Marzari, Nicola; Gesing, Thorsten M.","Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith.","IUCrJ","2024","11","6","","","10.1107/S2052252524009722","powder diffraction","x-ray","1.5406","CuKα","","0.2222","","","","","","","","1.19","","","","","","","has coordinates","295660","2024-10-29","02:56:27",""
"2000128","8.368","0.007","11.274","0.01","11.462","0.012","72.4","0.07","89.45","0.08","85.35","0.07","1027.2","","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C3 H18 Al3 N3 O16 P4 -","- C3 H18 Al6 N3 O20 P4 -","- C6 H36 Al12 N6 O40 P8 -","2","1","","Vidal, L.; Marichal, C.; Gramlich, V.; Patarin, J.; Gabelica, Z.","Mu-7, a New Layered Aluminophosphate [CH~3~NH~3~]~3~[Al~3~P~4~O~16~] with a 4 × 8 Network: Characterization, Structure, and Possible Crystallization Mechanism","Chemistry of Materials","1999","11","10","2728","2736","10.1021/cm991027o","","","","","","","0.0372","","","0.0372","","","","","","","","","","","has coordinates","178247","2020-10-21","18:00:00",""
"2000133","10.043","0.007","10.043","0.007","13.828","0.01","90","","90","","90","","1394.7","1.7","293","2","293","2","","","","","","","","7","P 42/n c m :2","-P 4ac 2ac","138","","","","- C2 H16 F3 Ga3 N2 O12 P2 -","- C2 H16 F3 Ga3 N2 O12 P2 -","- C8 H64 F12 Ga12 N8 O48 P8 -","4","0.25","","Matijasic, Alain; Gramlich, Volker; Patarin, Joël","Further evidence of the efficiency of the fluoride route illustrated by the hydrothermal synthesis and crystal structure of the hydroxyfluorogallophosphate Mu-20","Journal of Materials Chemistry","2001","11","10","2553","","10.1039/b102263f","","","1.54178","CuKα","","0.0354","0.0322","","0.0938","0.0916","","","","1.259","1.296","1.296","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2300546","8.115","","8.115","","8.115","","90","","90","","90","","534.399","","","","","","","","","","","","","2","P 42/n m c :1","P 4n 2n -1n","137","","V N.81","","- N0.81 V -","- N0.8125 V -","- N26 V32 -","32","2","","Onozuka, T.","Vacancy Ordering in V N1-x","Journal of Applied Crystallography","1978","11","","132","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310075","6.57","","11.04","","6.44","","90","","113.3","","90","","429.017","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- Au Cl3 -","- Au Cl3 -","- Au4 Cl12 -","4","1","","Clark, E.S.; Templeton, D.H.; MacGillavry, C.H.","The crystal structure of gold(III)chloride","Acta Crystallographica (1,1948-23,1967)","1958","11","","284","288","10.1107/S0365110X58000694","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310086","5.783","","5.783","","3.134","","90","","90","","90","","104.811","","","","","","","","","","","","","6","P 4/m b m","-P 4 2ab","127","","Cr0.64 Fe0.43 Mo1.08 Ni0.21 Ti0.64 B2","","- B2 Cr0.64 Fe0.43 Mo1.08 Ni0.21 Ti0.64 -","- B2 Cr0.639 Fe0.432 Mo1.08 Ni0.21 Ti0.639 -","- B4 Cr1.278 Fe0.864 Mo2.16 Ni0.42 Ti1.278 -","2","0.125","","Beattie, H.J.jr.","The crystal structure of an M3 B2 double boride","Acta Crystallographica (1,1948-23,1967)","1958","11","","607","609","10.1107/S0365110X58001626","","","","","","","","","","","","","","","","","","","","","has coordinates","176809","2020-10-21","18:00:00",""
"2310519","6.704","","11.95","","4.142","","90","","90","","90","","331.827","","","","","","","","","","","","","2","C 2 2 2","C 2 2","21","","U3 O8","","- O8 U3 -","- O8 U3 -","- O16 U6 -","2","0.25","","Andresen, A.F.","The structure of U3 O8 determined by neutron diffraction","Acta Crystallographica (1,1948-23,1967)","1958","11","","612","614","","","","","","","","","","","","","","","","","","","","","","has coordinates","150343","2020-10-21","18:00:00",""
"2310524","4.956","","4.956","","3.389","","90","","90","","90","","83.24","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","Pd F2","","- F2 Pd -","- F2 Pd -","- F4 Pd2 -","2","0.125","","Bartlett, N.; Maitland, R.","The crystal structure of palladium difluoride","Acta Crystallographica (1,1948-23,1967)","1958","11","","747","748","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310526","5.812","","15.18","","6.239","","90","","116.43","","90","","492.91","","","","","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","Ca (H P O4) (H2 O)2","","- Ca H5 O6 P -","- Ca H4 O6 P -","- Ca4 H16 O24 P4 -","4","0.5","","Beevers, C.A.","The crystal structure of dicalcium phosphate dihydrate, Ca H P O4 (H2 O)2","Acta Crystallographica (1,1948-23,1967)","1958","11","","273","277","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310528","5.18","","5.18","","10.05","","90","","90","","90","","269.666","","","","","","","","","","","","","3","P -4 c 2","P -4 -2c","116","","K (Nb F6)","","- F6 K Nb -","- F6 K Nb -","- F12 K2 Nb2 -","2","0.25","","Bode, H.; von Boehren, H.","Die Kristallstruktur des Kaliumhexafluoroniobats und des Kaliumhexafluorotantalats","Acta Crystallographica (1,1948-23,1967)","1958","11","","80","82","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310536","10.06","","11.8","","8.24","","90","","107.3","","90","","933.903","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Cu2 Mg2 (C O3) (O H)6 (H2 O)2","","- C H10 Cu2 Mg2 O11 -","- C Cu2 Mg2 O11 -","- C4 Cu8 Mg8 O44 -","4","0.5","","Brunton, G.; Steinfink, H.; Beck, C.W.","The crystal structure of callaghanite Cu8 Mg8 (C O3)4 (O H)24 (H2 O)8","Acta Crystallographica (1,1948-23,1967)","1958","11","","169","174","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310538","13.64","","9.67","","3.86","","90","","90","","90","","509.129","","","","","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","N2 H5 C N5 H2","","- C H7 N7 -","- C H7 N7 -","- C4 H28 N28 -","4","1","","Bryden, J. H.","The Crystal Structure of the Hydrazine Salt of 5-Aminotetrazol","Acta Crystallographica (1,1948-23,1967)","1958","11","1","31","37","10.1107/S0365110X58000062","","","","","","","","","","","","","","","","","","","","","has coordinates","189486","2020-10-21","18:00:00",""
"2310539","3.7","","10.43","","9.01","","90","","97.83","","90","","344.463","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","C2 N6 H4 Cl2","","- C2 H4 Cl2 N6 -","- C2 Cl2 N6 -","- C4 Cl4 N12 -","2","0.5","","Bryden, J.H.","The crystal structure of azo-bis-N-chloroformamidine","Acta Crystallographica (1,1948-23,1967)","1958","11","","158","161","","","","","","","","","","","","","","","","","","","","","","has coordinates","150542","2020-10-21","18:00:00",""
"2310559","16","","5.24","","11.25","","90","","93.5","","90","","941.441","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Na5 (P3 O10)","","- Na5 O10 P3 -","- Na5 O10 P3 -","- Na20 O40 P12 -","4","0.5","","Davies, D.R.; Corbridge, D.E.C.","The crystal structure of sodium triphosphate, Na5 P3 O10,","Acta Crystallographica (1,1948-23,1967)","1958","11","","315","319","","","","","","","","","","","","","","","","","","","","","","has coordinates","150655","2020-10-21","18:00:00",""
"2310574","8.149","","12.88","","7.106","","93.37","","116.3","","90.28","","667.08","","","","","","","","","","","","","4","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","Na Al Si3 O8","","- Al Na O8 Si3 -","- Al Na O8 Si3 -","- Al4 Na4 O32 Si12 -","4","","","Ferguson, R.B.; Traill, R.J.; Taylor, W.H.","The crystal structures of low-temperature and high-temperature albites","Acta Crystallographica (1,1948-23,1967)","1958","11","","331","348","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310583","6.671","","9.193","","7.384","","90","","90","","90","","452.835","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Cu (Se O3) (H2 O)2","","- Cu H4 O5 Se -","- Cu O5 Se -","- Cu4 O20 Se4 -","4","1","","Gattow, G.","Die Kristallstruktur von Cu Se O3 (H2 O)2 (Chalkomenit)","Acta Crystallographica (1,1948-23,1967)","1958","11","","377","383","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310584","5","","5.85","","10.35","","90","","92.33","","90","","302.487","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Cu3 (O H)2 (C O3)2","","- C2 H2 Cu3 O8 -","- C2 Cu3 O8 -","- C4 Cu6 O16 -","2","0.5","","Gattow, G.; Zemann, J.","Neubestimmung der Kristallstruktur von Azurit, Cu3 (O H)2","Acta Crystallographica (1,1948-23,1967)","1958","11","","866","872","","","","","","","","","","","","","","","","","","","","","","has coordinates","150886","2020-10-21","18:00:00",""
"2310590","16.35999","","15.42","","11.06","","90","","90","","90","","2790.12","","","","","","","","","","","","","4","F d d d :1","F 2 2 -1d","70","","(Pt (N H3)2 Br2) (Pt (N H3)2 Br4)","","- Br6 H12 N4 Pt2 -","- Br6 N4 Pt2 -","- Br24 N16 Pt8 -","4","0.125","","Hall, D.; Williams, P.P.","Disorder in the structure of dibromodiammineplatinum(II) tetrabromodiammineplatinum(IV)","Acta Crystallographica (1,1948-23,1967)","1958","11","","624","626","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310591","4.076","","4.076","","4.076","","90","","90","","90","","67.718","","","","","","","","","","","","","4","P m -3","-P 2 2 3","200","","(Cu (N H3)2)0.5 Br","","- Br Cu0.5 H3 N -","- Br Cu0.5001 N -","- Br Cu0.5001 N -","1","0.0416667","","Hanic, F.; Cakajdova, I.A.","Die Kristallstruktur von Cu (N H3)2 Br2 und Cu (N H3)2 C","Acta Crystallographica (1,1948-23,1967)","1958","11","","610","612","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310592","5.854","","5.854","","9.295","","90","","90","","120","","275.858","","","","","","","","","","","","","3","P 63 m c","P 6c -2c","186","","Fe2.5 V7.11 O16","","- Fe2.5 O16 V7.11 -","- Fe2.5 O16 V7.11 -","- Fe2.5 O16 V7.11 -","1","0.0833333","","Hanson, A.W.","The crystal structure of nolanite","Acta Crystallographica (1,1948-23,1967)","1958","11","","703","709","","","","","","","","","","","","","","","","","","","","","","has coordinates","150967","2020-10-21","18:00:00",""
"2310607","9.57","","14.92","","8","","90","","97.58","","90","","1132.29","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ce (I O3)4 (H2 O)","","- Ce H2 I4 O13 -","- Ce I4 O13 -","- Ce4 I16 O52 -","4","1","","Ibers, J.A.; Cromer, D.T.","The least-squares refinement of the crystal structure of ce H2 O ceric iodate monohydrate","Acta Crystallographica (1,1948-23,1967)","1958","11","","794","798","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310613","9.59","","9.78","","10.12","","112.8","","103.5","","96.5","","828.565","","","","","","","","","","","","","6","P -1","-P 1","2","","Cs Fe4 S3 (N O)7 H2 O","","- Cs Fe4 H2 N7 O8 S3 -","- Cs Fe4 N7 O8 S3 -","- Cs2 Fe8 N14 O16 S6 -","2","1","","Johansson, G.; Lipscomb, W.N.","The Structure of Roussin's Black Salt, Cs Fe4 S3 (N O)7 H2","Acta Crystallographica (1,1948-23,1967)","1958","11","","594","598","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310620","8.39","","6.69","","4.83","","90","","90","","90","","271.104","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cu (S O4)","","- Cu O4 S -","- Cu O4 S -","- Cu4 O16 S4 -","4","0.5","","Kokkoros, P.A.; Rentzeperis, P.J.","The crystal structure of the anhydrous sulfates of copper and zinc","Acta Crystallographica (1,1948-23,1967)","1958","11","","361","364","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310632","14.314","","6.779","","5.086","","90","","90","","90","","493.518","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Na As O2","","- As Na O2 -","- As Na O2 -","- As8 Na8 O16 -","8","1","","Menary, J.W.","The Crystal Structure of Sodium Polymetaarsenite (Na As O2)X","Acta Crystallographica (1,1948-23,1967)","1958","11","","742","743","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310641","7.82","","16.51999","","5.63","","90","","90.1","","90","","727.318","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","H Fe2 Al9 Si4 O24","","- Al9 Fe2 H O24 Si4 -","- Al9 Fe2 H O24 Si4 -","- Al18 Fe4 H2 O48 Si8 -","2","0.25","","Naray-Szabo, I.; Sasvari, K.","On the structure of staurolite, H Fe2 Al9 Si4 O24","Acta Crystallographica (1,1948-23,1967)","1958","11","","862","865","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310649","5.46","","5.46","","10.76","","90","","90","","90","","320.773","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Zn Ge P2","","- Ge P2 Zn -","- Ge P2 Zn -","- Ge4 P8 Zn4 -","4","0.25","","Pfister, H.","Kristallstruktur von ternaeren Verbindungen der Art A(II) B(IV) C(III)2","Acta Crystallographica (1,1948-23,1967)","1958","11","","221","224","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310650","5.67","","5.67","","11.15","","90","","90","","90","","358.46","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","Zn Ge As2","","- As2 Ge Zn -","- As2 Ge Zn -","- As8 Ge4 Zn4 -","4","0.25","","Pfister, H.","Kristallstruktur von ternaeren Verbindungen der Art A(II) B(IV) C(III)2","Acta Crystallographica (1,1948-23,1967)","1958","11","","221","224","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310652","5.155","","7.842","","6.338","","90","","90","","90","","256.217","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Ni (S O4)","","- Ni O4 S -","- Ni O4 S -","- Ni4 O16 S4 -","4","0.25","","Poljak, R.J.","On the structure of anhydrous nickel sulfate","Acta Crystallographica (1,1948-23,1967)","1958","11","","306","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310658","7.753","","7.753","","5.618","","90","","90","","120","","292.45","","","","","","","","","","","","","2","P 3 1 c","P 3 -2c","159","","Si3 N4","","- N4 Si3 -","- N4 Si3 -","- N16 Si12 -","4","0.666667","","Ruddlesden, S.N.; Popper, P.","On the crystal structures of the nitrides of silicon and germanium","Acta Crystallographica (1,1948-23,1967)","1958","11","","465","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","151562","2020-10-21","18:00:00",""
"2310681","5.34","","9.27","","14.36","","90","","97.37","","90","","704.973","","","","","","","","","","","","","6","C 1","C 1","1","","(Mg5.0 Al.6 Fe.4) (Si2.5 Al1.5) O10 (O H)8","","- Al2.1 Fe0.4 H8 Mg5 O18 Si2.5 -","- Al2.1 Fe0.4002 Mg4.9998 O18 Si2.5 -","- Al4.2 Fe0.8004 Mg9.9996 O36 Si5 -","2","","","Steinfink, H.","The Crystal Structure of Chlorite. II. A Triclinic Polymorph","Acta Crystallographica (1,1948-23,1967)","1958","11","","195","198","","","","","","","","","","","","","","","","","","","","","","has coordinates","209123","2020-10-21","18:00:00",""
"2310694","7.171","","7.171","","16.258","","90","","90","","120","","724.031","","","","","","","","","","","","","3","P 63/m","-P 6c","176","","K3 (Cl3 (W Cl3)2)","","- Cl9 K3 W2 -","- Cl9 K3 W2 -","- Cl18 K6 W4 -","2","0.166667","","Watson, W.H.; Waser, J.","Refinement of the structure of tripotassium-ditungsten-enneachloride K3 W2 Cl9","Acta Crystallographica (1,1948-23,1967)","1958","11","","689","692","","","","","","","","","","","","","","","","","","","","","","has coordinates","151863","2020-10-21","18:00:00",""
"2310702","18.3","","17.96","","5.888","","90","","90.6","","90","","1935.09","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","((Cl4 Nb) Cl2 (Nb Cl4))","","- Cl10 Nb2 -","- Cl10 Nb2 -","- Cl60 Nb12 -","6","0.75","","Zalkin, A.; Sands, D.E.","The crystal structure of Nb Cl5","Acta Crystallographica (1,1948-23,1967)","1958","11","","615","619","","","","","","","","","","","","","","","","","","","","","","has coordinates","151976","2020-10-21","18:00:00",""
"2310704","6.54","","10.66","","6.08","","90","","103","","90","","413.012","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","Na C N (H2 O)2","","- C H4 N Na O2 -","- C H4 N Na O2 -","- C4 H16 N4 Na4 O8 -","4","1","","le Bihan, M.T.","Structure du Cyanure de Sodium Hydrate","Acta Crystallographica (1,1948-23,1967)","1958","11","","770","773","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2310982","7.826","","7.826","","7.826","","90","","90","","90","","479.313","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Pd2 Sr -","- Pd2 Sr -","- Pd16 Sr8 -","8","0.0416667","","Wood, E.A.","Laves-phase compounds of alkaline earths and noble metals","Acta Crystallographica (1,1948-23,1967)","1958","11","","429","433","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310983","7.7","","7.7","","7.7","","90","","90","","90","","456.533","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ir2 Sr -","- Ir2 Sr -","- Ir16 Sr8 -","8","0.0416667","","Wood, E.A.","Laves-phase compounds of alkaline earths and noble metals","Acta Crystallographica (1,1948-23,1967)","1958","11","","429","433","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310984","3.193","","3.193","","4.267","","90","","90","","90","","43.503","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Ti D2","","- D2 Ti -","- D2 Ti -","- D4 Ti2 -","2","0.0625","","Yakel, H.L.jr.","Thermocrystallography of higher hydrides of titanium and zirkonium","Acta Crystallographica (1,1948-23,1967)","1958","11","","46","51","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"3000295","5.88318","0.00013","10.6214","0.0002","6.745","0.0003","90","","106.043","0.0019","90","","405.07","0.02","293","","293","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","Silver chromium diphosphorus hexasulfide","Silver chromium diphosphorus hexasulfide","","- Ag Cr P2 S6 -","- Ag Cr P2 S6 -","- Ag2 Cr2 P4 S12 -","2","0.5","","Selter, Sebastian; Shemerliuk, Yuliia; Buechner, Bernd; Aswartham, Saicharan","Crystal Growth of the Quasi-2D Quarternary Compound Ag Cr P2 S6 by Chemical Vapor Transport","Crystals","2021","11","","500","","10.3390/cryst11050500","powder diffraction","x-ray","1.54059","CuKα~1~","","0.0545","0.0523","","0.0569","0.0567","","","","2.13","","","","","","","has coordinates","265070","2021-05-10","11:55:42",""
"4001641","3.8127","0.0004","15.551","0.001","7.039","0.0005","90","","90","","90","","417.35","0.06","295","2","295","2","","","","","","","","3","C m c m","-C 2c 2","63","zirconium palladium silicide","","","- Pd3 Si3 Zr -","- Pd3 Si3 Zr -","- Pd12 Si12 Zr4 -","4","0.25","","Wang, Meitian; Mar, Arthur","The Ternary Silicide ZrPd3Si3, a Stacking Variant of the α-FeSi2and Re3B Structure Types","Chemistry of Materials","1999","11","11","3232","","10.1021/cm990296b","","","0.71073","MoKα","","0.0256","0.0227","","","0.046","0.047","","","","","","1.189","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001719","10.3388","","10.3388","","10.3388","","90","","90","","90","","1105.12","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Silver antimony oxide (0.63/2.5/6.1)","","- Ag0.63 O6.1 Sb2.5 -","- Ag0.63 O6.1 Sb2.5 -","- Ag5.04 O48.8 Sb20 -","8","0.0416667","","Zarbin, A.J.G.; Rojo, J.M.; Rojas, R.M.; Alves, O.L.; Amarilla, J.M.","Silver antimonates with pyrochlore-like structure prepared by thermal treatment of silver proton-exchanged antimonic acid: formation process and structural characterization","Chemistry of Materials (1,1989-)","1999","11","","1652","1658","","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001721","5.51664","","5.51664","","7.8134","","90","","90","","90","","237.788","","","","","","","","","","","","","4","I b a m","-I 2 2c","72","","Bismuth silver titanate (0.5/0.5/1)","","- Ag0.456 Bi0.544 O3 Ti -","- Ag0.456 Bi0.544 O3 Ti -","- Ag1.824 Bi2.176 O12 Ti4 -","4","0.25","","Woodward, P.M.; Park, J.-H.; Parise, J.B.; Stafsudd, O.; Reeder, R.J.; Lubomirsky, I.","Synthesis, structure, and dielectric properties of (Bi0.5 Ag0.5) Ti O3","Chemistry of Materials (1,1989-)","1999","11","","177","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001722","5.47309","","5.5098","","7.7563","","90","","90","","90","","233.896","","","","","","","","","","","","","4","I b a m","-I 2 2c","72","","Bismuth silver titanate (0.5/0.5/1)","","- Ag0.5 Bi0.5 O3 Ti -","- Ag0.5 Bi0.5 O3 Ti -","- Ag2 Bi2 O12 Ti4 -","4","0.25","","Park, J.-H.; Lubomirsky, I.; Reeder, R.J.; Parise, J.B.; Stafsudd, O.; Woodward, P.M.","Synthesis, structure, and dielectric properties of (Bi0.5 Ag0.5) Ti O3","Chemistry of Materials (1,1989-)","1999","11","","177","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001723","3.90607","","3.90607","","3.90607","","90","","90","","90","","59.596","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Bismuth silver titanate (0.5/0.5/1)","","- Ag0.5 Bi0.5 O3 Ti -","- Ag0.5 Bi0.5 O3 Ti -","- Ag0.5 Bi0.5 O3 Ti -","1","0.0208333","","Park, J.-H.; Parise, J.B.; Reeder, R.J.; Stafsudd, O.; Woodward, P.M.; Lubomirsky, I.","Synthesis, structure, and dielectric properties of (Bi0.5 Ag0.5) Ti O3","Chemistry of Materials (1,1989-)","1999","11","","177","183","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001725","10.282","","10.282","","10.282","","90","","90","","90","","1087.01","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","(Ag1.77 Sb0.07) (Sb2 O6)","","- Ag1.77 O6 Sb2.07 -","- Ag1.77 O6 Sb2.07 -","- Ag14.16 O48 Sb16.56 -","8","0.0416667","","Rojo, J.M.; Zarbin, A.J.G.; Alves, O.L.; Amarilla, J.M.; Rojas, R.M.","Silver antimonates with pyrochlore-like structure prepared by thermal treatment of silver proton-exchanged antimonic acid: formation process and structural characterization","Chemistry of Materials (1,1989-)","1999","11","","1652","1658","","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001741","6.6357","","6.6357","","26.706","","90","","90","","120","","1018.39","","","","","","","","","","","","","3","R 3 2 :H","R 3 2""","155","","Gd (B O3)","","- B Gd O3 -","- B Gd O3 -","- B18 Gd18 O54 -","18","1","","Ren, M.; Su, M.Z.; Dong, Y.; You, L.P.; Yang, L.Q.; Lin, J.-H.","Structure and phase transformation of Gd B O3","Chemistry of Materials (1,1989-)","1999","11","","1576","1580","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001742","4.1154","","4.1154","","8.592","","90","","90","","120","","126.023","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Gd (B O3)","","- B Gd O3 -","- B Gd O3 -","- B2 Gd2 O6 -","2","0.0833333","","Dong, Y.; Yang, L.Q.; Su, M.Z.; Ren, M.; Lin, J.-H.; You, L.P.","Structure and phase transformation of Gd B O3","Chemistry of Materials (1,1989-)","1999","11","","1576","1580","","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001894","17.51709","0.0009","17.51709","0.0009","8.198","0.0005","90","","90","","90","","2515.5","0.2","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Lithium Manganese(III) Manganese(IV) Oxide","","- Li Mn2 O4 -","- Li Mn2 O4 -","- Li36 Mn72 O144 -","36","1.125","","Wills, A. S.; Raju, N. P.; Greedan, J. E.","Low-temperature structure and magnetic properties of the spinel LiMn~2~O~4~: a frustrated antiferromagnet and cathode material","Chemistry of Materials","1999","11","6","1510","1518","10.1021/cm981041l","","","","","","0.094","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4001895","17.54019","0.0005","17.54019","0.0005","8.20515","0.00028","90","","90","","90","","2524.38","0.13","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Lithium Manganese(III) Manganese(IV) Oxide","","- Li Mn2 O4 -","- Li Mn2 O4 -","- Li36 Mn72 O144 -","36","1.125","","Wills, A. S.; Raju, N. P.; Greedan, J. E.","Low-temperature structure and magnetic properties of the spinel LiMn~2~O~4~: a frustrated antiferromagnet and cathode material","Chemistry of Materials","1999","11","6","1510","1518","10.1021/cm981041l","","","","","","0.072","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002827","8.2706","0.0003","6.1998","0.0003","10.525","0.001","90","","103.38","0.01","90","","525.03","0.06","","","293","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C5 H6 Al3 F10 N -","- C4.998 H6 Al3 F10 N1.002 -","- C9.996 H12 Al6 F20 N2.004 -","2","0.25","","Harlow, Richard L.; Herron, Norman; Li, Zhigang; Vogt, Thomas; Solovyov, Leonid; Kirik, Sergei","The DuPont Powder Challenge: the crystal structure of [C5NH6][Al3F10] - A cautionary tale","Chemistry of Materials","1999","11","","2562","2567","","powder diffraction","x-ray","0.43788","","","","","","","","","","0.048","","","","","","","","has coordinates","198511","2020-10-21","18:00:00",""
"4030436","30.367","0.003","11.8122","0.0009","19.5189","0.0016","90","","96.413","0.002","90","","6957.6","1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 B F2 N3 O2 -","- C19 H18 B F2 N3 O2 -","- C304 H288 B16 F32 N48 O32 -","16","2","","Yu, Mingfeng; Wong, Joseph K.-H.; Tang, Cyril; Turner, Peter; Todd, Matthew H.; Rutledge, Peter J.","Efficient deprotection of F-BODIPY derivatives: removal of BF2 using Brønsted acids.","Beilstein journal of organic chemistry","2015","11","","37","41","10.3762/bjoc.11.6","","","0.71073","MoKα","","0.0551","0.0415","","","0.1284","0.1487","","","","","","1.464","","","","has coordinates","178483","2020-10-21","18:00:00",""
"4030514","15.8768","0.0008","9.2589","0.0005","14.0614","0.0007","90","","108.877","0.001","90","","1955.87","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Benzoylphosphonodiamidite","(bis(diisopropylamino)phosphanyl)(phenyl)methanone","","- C19 H33 N2 O P -","- C19 H33 N2 O P -","- C76 H132 N8 O4 P4 -","4","1","","Hersh, William H.","Synthesis of dinucleoside acylphosphonites by phosphonodiamidite chemistry and investigation of phosphorus epimerization.","Beilstein journal of organic chemistry","2015","11","","184","191","10.3762/bjoc.11.19","","","0.71073","MoKα","","0.0343","0.0311","","","0.0795","0.0821","","","","","","1.048","","","","has coordinates","178484","2020-10-21","18:00:00",""
"4030944","5.0849","0.0005","10.9285","0.0012","12.7619","0.0013","90","","97.741","0.012","90","","702.72","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","EDT-TTF(CN)(CF3)","","","- C10 H4 F3 N S6 -","- C10 H4 F3 N S6 -","- C20 H8 F6 N2 S12 -","2","1","","Jeannin, Olivier; Barrière, Frédéric; Fourmigué, Marc","Trifluoromethyl-substituted tetrathiafulvalenes.","Beilstein journal of organic chemistry","2015","11","","647","658","10.3762/bjoc.11.73","","","0.71073","MoKα","","0.0557","0.0327","","","0.0691","0.0765","","","","","","0.954","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030945","5.1515","0.0012","11.998","0.002","12.974","0.003","103.96","0.03","90.02","0.03","90.45","0.03","778.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","EDT-TTF(CO2Me)(CF3)","3,4-ethylendithio-3'-carbomethoxy-4'-trifluoromethyltetrathiafulvalene ?","","- C11 H7 F3 O2 S6 -","- C11 H7 F3 O2 S6 -","- C22 H14 F6 O4 S12 -","2","1","","Jeannin, Olivier; Barrière, Frédéric; Fourmigué, Marc","Trifluoromethyl-substituted tetrathiafulvalenes.","Beilstein journal of organic chemistry","2015","11","","647","658","10.3762/bjoc.11.73","","","0.71073","MoKα","","0.1597","0.0442","","","0.0691","0.0909","","","","","","0.702","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030946","7.4209","0.0008","17.0659","0.0017","13.5707","0.0015","90","","97.834","0.013","90","","1702.6","0.3","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","o-(CF3)2-TTF-o-(CO2Me)","4,5-bis(trifluoromethyl)-4',5'-bis(methoxycarbonyl)tetrathiafulvalene","","- C12 H6 F6 O4 S4 -","- C12 H6 F6 O4 S4 -","- C48 H24 F24 O16 S16 -","4","1","","Jeannin, Olivier; Barrière, Frédéric; Fourmigué, Marc","Trifluoromethyl-substituted tetrathiafulvalenes.","Beilstein journal of organic chemistry","2015","11","","647","658","10.3762/bjoc.11.73","","","0.71073","MoKα","","0.0612","0.032","","","0.0706","0.0783","","","","","","0.898","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030947","28","0.003","8.7129","0.0009","7.2091","0.0007","90","","90","","90","","1758.7","0.3","293","2","293","2","","","","","","","","5","P b a m","-P 2 2ab","55","E-(CF3,CO2Me)2 TTF","Trans-4,4'-bis(trifluoromethyl)-5,5'-bis(methoxycarbonyl)tetrathiafulvalene","","- C12 H6 F6 O4 S4 -","- C12 H6 F6 O4 S4 -","- C48 H24 F24 O16 S16 -","4","0.5","","Jeannin, Olivier; Barrière, Frédéric; Fourmigué, Marc","Trifluoromethyl-substituted tetrathiafulvalenes.","Beilstein journal of organic chemistry","2015","11","","647","658","10.3762/bjoc.11.73","","","0.71073","MoKα","","0.1057","0.0342","","","0.053","0.0647","","","","","","0.767","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030948","13.2146","0.0015","11.1448","0.0008","13.1662","0.0015","90","","106.997","0.013","90","","1854.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(EDT TTF CF3)2 TCNQ","","","- C15 H7 F3 N2 S6 -","- C15 H7 F3 N2 S6 -","- C60 H28 F12 N8 S24 -","4","1","","Jeannin, Olivier; Barrière, Frédéric; Fourmigué, Marc","Trifluoromethyl-substituted tetrathiafulvalenes.","Beilstein journal of organic chemistry","2015","11","","647","658","10.3762/bjoc.11.73","","","0.71073","MoKα","","0.0692","0.0339","","","0.073","0.0814","","","","","","0.868","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030949","5.9348","0.0005","14.4165","0.0015","21.785","0.002","90","","90","","90","","1863.9","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","EDT-TTF-CF3, FeCl4","","","- C9 H5 Cl4 F3 Fe S6 -","- C9 H5 Cl4 F3 Fe S6 -","- C36 H20 Cl16 F12 Fe4 S24 -","4","1","","Jeannin, Olivier; Barrière, Frédéric; Fourmigué, Marc","Trifluoromethyl-substituted tetrathiafulvalenes.","Beilstein journal of organic chemistry","2015","11","","647","658","10.3762/bjoc.11.73","","","0.71073","MoKα","","0.0675","0.0411","","","0.0497","0.0545","","","","","","1.066","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030950","9.4587","0.0005","9.6256","0.0004","11.5993","0.0006","90","","90","","90","","1056.07","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 O S3 -","- C9 H10 O S3 -","- C36 H40 O4 S12 -","4","1","","Silva, Rafaela A. L.; Vieira, Bruno J. C.; Andrade, Marta M.; Santos, Isabel C.; Rabaça, Sandra; Belo, Dulce; Almeida, Manuel","TTFs nonsymmetrically fused with alkylthiophenic moieties.","Beilstein journal of organic chemistry","2015","11","","628","637","10.3762/bjoc.11.71","","","0.71073","MoKα","","0.0398","0.0329","","","0.0767","0.0793","","","","","","1.075","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4030951","9.9526","0.0003","12.2499","0.0003","17.9352","0.0004","81.381","0.001","85.234","0.002","89.204","0.001","2154.46","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 S7 -","- C18 H18 N2 S7 -","- C72 H72 N8 S28 -","4","2","","Silva, Rafaela A. L.; Vieira, Bruno J. C.; Andrade, Marta M.; Santos, Isabel C.; Rabaça, Sandra; Belo, Dulce; Almeida, Manuel","TTFs nonsymmetrically fused with alkylthiophenic moieties.","Beilstein journal of organic chemistry","2015","11","","628","637","10.3762/bjoc.11.71","","","0.71073","MoKα","","0.071","0.0387","","","0.0828","0.0904","","","","","","1.019","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4030952","7.253","0.0001","8.3877","0.0001","26.2705","0.0004","86.235","0.001","86.176","0.001","71.72","0.001","1512.47","0.04","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H12 Au N6 S11 -","- C23 H12 Au N6 S11 -","- C46 H24 Au2 N12 S22 -","2","1","","Silva, Rafaela A. L.; Vieira, Bruno J. C.; Andrade, Marta M.; Santos, Isabel C.; Rabaça, Sandra; Belo, Dulce; Almeida, Manuel","TTFs nonsymmetrically fused with alkylthiophenic moieties.","Beilstein journal of organic chemistry","2015","11","","628","637","10.3762/bjoc.11.71","","","0.71073","MoKα","","0.0175","0.0173","","","0.042","0.0421","","","","","","1.253","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031010","21.0945","0.0005","13.8077","0.0007","12.4172","0.0002","90","","90","","90","","3616.7","0.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","(TTF1)(CuBr4)","(TTF1)(CuBr4)","","- C30 H20 Br4 Cu S8 -","- C30 H20 Br4 Cu S8 -","- C120 H80 Br16 Cu4 S32 -","4","0.5","","Ma, Longfei; Sun, Jibin; Lu, Xiaofeng; Zhang, Shangxi; Qi, Hui; Liu, Lei; Shao, Yongliang; Shao, Xiangfeng","Copper ion salts of arylthiotetrathiafulvalenes: synthesis, structure diversity and magnetic properties.","Beilstein journal of organic chemistry","2015","11","","850","859","10.3762/bjoc.11.95","","","1.54184","CuKα","","0.055","0.0458","","","0.1168","0.1261","","","","","","1.045","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031011","13.9096","0.0007","14.1046","0.0007","21.077","0.001","90","","107.985","0.006","90","","3933","0.4","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","(TTF2)(CuBr4)","(TTF2)(CuBr4)","","- C34 H28 Br4 Cu S8 -","- C34 H28 Br4 Cu S8 -","- C136 H112 Br16 Cu4 S32 -","4","0.5","","Ma, Longfei; Sun, Jibin; Lu, Xiaofeng; Zhang, Shangxi; Qi, Hui; Liu, Lei; Shao, Yongliang; Shao, Xiangfeng","Copper ion salts of arylthiotetrathiafulvalenes: synthesis, structure diversity and magnetic properties.","Beilstein journal of organic chemistry","2015","11","","850","859","10.3762/bjoc.11.95","","","0.71073","MoKα","","0.1102","0.0494","","","0.0831","0.1037","","","","","","0.974","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031012","13.0614","0.0006","13.3435","0.0006","14.5787","0.0007","102.051","0.006","92.764","0.006","116.503","0.007","2194.5","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","(TTF3)(CuBr4)0.5(CuBr3)THF","(TTF3)(CuBr4)0.5(CuBr3)THF","","- C76 H72 Br10 Cu3 O2 S16 -","- C76 H72 Br10 Cu3 O2 S16 -","- C76 H72 Br10 Cu3 O2 S16 -","1","0.5","","Ma, Longfei; Sun, Jibin; Lu, Xiaofeng; Zhang, Shangxi; Qi, Hui; Liu, Lei; Shao, Yongliang; Shao, Xiangfeng","Copper ion salts of arylthiotetrathiafulvalenes: synthesis, structure diversity and magnetic properties.","Beilstein journal of organic chemistry","2015","11","","850","859","10.3762/bjoc.11.95","","","0.71073","MoKα","","0.0834","0.0532","","","0.1133","0.1287","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031013","13.1368","0.0005","13.4389","0.0005","14.8346","0.0005","101.664","0.003","93.457","0.003","116.863","0.004","2253.37","0.17","291","2","291","2","","","","","","","","6","P -1","-P 1","2","(TTF3)(CuBr4)0.5(CuBr3)THF","(TTF3)(CuBr4)0.5(CuBr3)THF","","- C76 H72 Br10 Cu3 O2 S16 -","- C76 H72 Br10 Cu3 O2 S16 -","- C76 H72 Br10 Cu3 O2 S16 -","1","0.5","","Ma, Longfei; Sun, Jibin; Lu, Xiaofeng; Zhang, Shangxi; Qi, Hui; Liu, Lei; Shao, Yongliang; Shao, Xiangfeng","Copper ion salts of arylthiotetrathiafulvalenes: synthesis, structure diversity and magnetic properties.","Beilstein journal of organic chemistry","2015","11","","850","859","10.3762/bjoc.11.95","","","0.71073","MoKα","","0.1236","0.0591","","","0.1228","0.1544","","","","","","1.011","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031014","12.9103","0.0008","19.5008","0.0005","16.3696","0.0005","90","","90","","90","","4121.2","0.3","293","2","293","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","(TTF4)(CuBr4)","(TTF4)(CuBr4)","","- C34 H28 Br4 Cu O4 S8 -","- C34 H28 Br4 Cu O4 S8 -","- C136 H112 Br16 Cu4 O16 S32 -","4","0.5","","Ma, Longfei; Sun, Jibin; Lu, Xiaofeng; Zhang, Shangxi; Qi, Hui; Liu, Lei; Shao, Yongliang; Shao, Xiangfeng","Copper ion salts of arylthiotetrathiafulvalenes: synthesis, structure diversity and magnetic properties.","Beilstein journal of organic chemistry","2015","11","","850","859","10.3762/bjoc.11.95","","","0.71073","MoKα","","0.1377","0.0516","","","0.0704","0.0943","","","","","","1.004","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031015","8.8766","0.0005","11.3774","0.0005","12.1805","0.0005","92.375","0.003","105.574","0.004","112.882","0.004","1076.89","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(TTF5)(Cu2Br6)","(TTF5)(Cu2Br6)","","- C34 H28 Br6 Cu2 O4 S8 -","- C34 H28 Br6 Cu2 O4 S8 -","- C34 H28 Br6 Cu2 O4 S8 -","1","0.5","","Ma, Longfei; Sun, Jibin; Lu, Xiaofeng; Zhang, Shangxi; Qi, Hui; Liu, Lei; Shao, Yongliang; Shao, Xiangfeng","Copper ion salts of arylthiotetrathiafulvalenes: synthesis, structure diversity and magnetic properties.","Beilstein journal of organic chemistry","2015","11","","850","859","10.3762/bjoc.11.95","","","1.54184","CuKα","","0.0382","0.0354","","","0.0899","0.0927","","","","","","1.062","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031016","8.0605","0.0003","11.117","0.0007","13.7852","0.0006","89.253","0.004","88.684","0.004","80.707","0.004","1218.68","0.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","(TTF6)(CuBr2)(CH3CN)","(TTF6)(CuBr2)(CH3CN)","","- C40 H28 Br2 Cu N O8 S8 -","- C40 H28 Br2 Cu N O8 S8 -","- C40 H28 Br2 Cu N O8 S8 -","1","0.5","","Ma, Longfei; Sun, Jibin; Lu, Xiaofeng; Zhang, Shangxi; Qi, Hui; Liu, Lei; Shao, Yongliang; Shao, Xiangfeng","Copper ion salts of arylthiotetrathiafulvalenes: synthesis, structure diversity and magnetic properties.","Beilstein journal of organic chemistry","2015","11","","850","859","10.3762/bjoc.11.95","","","0.71073","MoKα","","0.0934","0.0601","","","0.1618","0.1853","","","","","","1.037","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031017","12.8898","0.0012","14.8147","0.0013","14.8279","0.0013","107.327","0.008","93.858","0.007","115.35","0.009","2379.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(TTF7)(CUBr2)","(TTF7)(CuBr2)","","- C42 H36 Br2 Cu O8 S8 -","- C42 H36 Br2 Cu O8 S8 -","- C84 H72 Br4 Cu2 O16 S16 -","2","1","","Ma, Longfei; Sun, Jibin; Lu, Xiaofeng; Zhang, Shangxi; Qi, Hui; Liu, Lei; Shao, Yongliang; Shao, Xiangfeng","Copper ion salts of arylthiotetrathiafulvalenes: synthesis, structure diversity and magnetic properties.","Beilstein journal of organic chemistry","2015","11","","850","859","10.3762/bjoc.11.95","","","0.71073","MoKα","","0.13","0.0839","","","0.2016","0.2466","","","","","","1.085","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031020","10.761","0.003","11.927","0.004","16.09","0.005","80.067","0.005","84.081","0.005","66.129","0.004","1858.9","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","2-[4,5-Bis(methylthio)-1,3-dithiol-2-ylidene]- 5-(4-methoxyphenyl)-5H-1,3-dithiolo[4,5-c]pyrrole","","- C17 H15 N O S6 -","- C17 H15 N O S6 -","- C68 H60 N4 O4 S24 -","4","2","","Azov, Vladimir A.; Janott, Diana; Schlüter, Dirk; Zeller, Matthias","Tuning of tetrathiafulvalene properties: versatile synthesis of N-arylated monopyrrolotetrathiafulvalenes via Ullmann-type coupling reactions.","Beilstein journal of organic chemistry","2015","11","","860","868","10.3762/bjoc.11.96","","","0.71073","MoKα","","0.0459","0.0381","","","0.1006","0.1081","","","","","","1.02","","","","has coordinates","140294","2020-10-21","18:00:00",""
"4031021","10.8196","0.0009","12.0793","0.001","19.096","0.0016","72.509","0.001","89.47","0.001","70.382","0.001","2230.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 N O S6 -","- C21 H23 N O S6 -","- C84 H92 N4 O4 S24 -","4","2","","Azov, Vladimir A.; Janott, Diana; Schlüter, Dirk; Zeller, Matthias","Tuning of tetrathiafulvalene properties: versatile synthesis of N-arylated monopyrrolotetrathiafulvalenes via Ullmann-type coupling reactions.","Beilstein journal of organic chemistry","2015","11","","860","868","10.3762/bjoc.11.96","","","0.71073","MoKα","","0.0342","0.0266","","","0.0647","0.0703","","","","","","1.033","","","","has coordinates,has disorder","140294","2020-10-21","18:00:00",""
"4031022","10.9203","0.0013","11.8068","0.0014","34.711","0.004","90","","91.759","0.004","90","","4473.3","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[4,5-Bis(propylthio)-1,3-dithiol-2-ylidene]- 5-(4-nitrophenyl)-5H-1,3-dithiolo[4,5-c]pyrrole","","- C20 H20 N2 O2 S6 -","- C20 H20 N2 O2 S6 -","- C160 H160 N16 O16 S48 -","8","2","","Azov, Vladimir A.; Janott, Diana; Schlüter, Dirk; Zeller, Matthias","Tuning of tetrathiafulvalene properties: versatile synthesis of N-arylated monopyrrolotetrathiafulvalenes via Ullmann-type coupling reactions.","Beilstein journal of organic chemistry","2015","11","","860","868","10.3762/bjoc.11.96","","","1.54178","CuKα","","0.0878","0.0846","","","0.2114","0.2126","","","","","","1.216","","","","has coordinates","140294","2020-10-21","18:00:00",""
"4031023","11.5871","0.0004","12.1431","0.0005","18.897","0.0008","94.0239","0.0014","90.9921","0.0013","117.911","0.0012","2339.99","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-[4,5-Bis(propylthio)-1,3-dithiol-2-ylidene]- 5-(4-dimethylaminophenyl)-5H-1,3-dithiolo[4,5-c]pyrrole","","- C22 H26 N2 S6 -","- C22 H26 N2 S6 -","- C88 H104 N8 S24 -","4","2","","Azov, Vladimir A.; Janott, Diana; Schlüter, Dirk; Zeller, Matthias","Tuning of tetrathiafulvalene properties: versatile synthesis of N-arylated monopyrrolotetrathiafulvalenes via Ullmann-type coupling reactions.","Beilstein journal of organic chemistry","2015","11","","860","868","10.3762/bjoc.11.96","","","0.71073","MoKα","","0.0642","0.048","","","0.1063","0.1162","","","","","","1.078","","","","has coordinates,has disorder","140294","2020-10-21","18:00:00",""
"4031037","12.2093","0.0006","13.8951","0.0009","19.7678","0.0013","98.263","0.002","96.719","0.002","90.646","0.002","3294.6","0.3","122","2","122","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H78 S12 Si2 -","- C59.453 H78 S12 Si2 -","- C118.906 H156 S24 Si4 -","2","1","","Jiang, Huixin; Mazzanti, Virginia; Parker, Christian R.; Broman, Søren Lindbæk; Wallberg, Jens Heide; Lušpai, Karol; Brincko, Adam; Kjaergaard, Henrik G.; Kadziola, Anders; Rapta, Peter; Hammerich, Ole; Nielsen, Mogens Brøndsted","Interactions between tetrathiafulvalene units in dimeric structures - the influence of cyclic cores.","Beilstein journal of organic chemistry","2015","11","","930","948","10.3762/bjoc.11.104","","","0.71073","MoKα","","0.1006","0.0641","","","0.1519","0.1737","","","","","","1.028","","","","has coordinates,has disorder","140295","2020-10-21","18:00:00",""
"4031095","23.4015","0.0002","34.9475","0.0002","39.9599","0.0004","90","","91.391","0.001","90","","32670.5","0.5","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C136 H120 F12 N24 O12 Pd6 S16 -","- C136 H120 F12 N24 O12 Pd6 S16 -","- C544 H480 F48 N96 O48 Pd24 S64 -","4","1","","Bivaud, Sébastien; Goeb, Sébastien; Croué, Vincent; Allain, Magali; Pop, Flavia; Sallé, Marc","Tuning the size of a redox-active tetrathiafulvalene-based self-assembled ring.","Beilstein journal of organic chemistry","2015","11","","966","971","10.3762/bjoc.11.108","","x-ray","0.67","synchrotron","","0.1043","0.0917","","","0.2636","0.2787","","","","","","1.057","","","","has coordinates","140292","2020-10-21","18:00:00",""
"4031145","7.8549","0.0006","21.3643","0.0015","6.9055","0.0005","90","","102.946","0.004","90","","1129.39","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 N O5 -","- C10 H19 N O5 -","- C40 H76 N4 O20 -","4","1","","Shinde, Madhuri V.; Ople, Rohini S.; Sangtani, Ekta; Gonnade, Rajesh; Reddy, D. Srinivasa","Synthesis of novel N-cyclopentenyl-lactams using the Aubé reaction.","Beilstein journal of organic chemistry","2015","11","","1060","1067","10.3762/bjoc.11.119","","","0.71073","MoKα","","0.0501","0.0446","","","0.1156","0.1203","","","","","","1.034","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031358","16.798","0.013","7.072","0.005","9.043","0.007","90","","90","","90","","1074.3","1.4","125","","125","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H4 B F9 N2 S -","- C6 H4 B F9 N2 S -","- C24 H16 B4 F36 N8 S4 -","4","0.5","","Iakobson, George; Du, Junyi; Slawin, Alexandra M. Z.; Beier, Petr","Pyridine-promoted dediazoniation of aryldiazonium tetrafluoroborates: Application to the synthesis of SF5-substituted phenylboronic esters and iodobenzenes.","Beilstein journal of organic chemistry","2015","11","","1494","1502","10.3762/bjoc.11.162","","","0.71075","MoKα","","","0.0806","","","","0.2938","","","","","","1.328","","","","has coordinates","160569","2020-10-21","18:00:00",""
"4031359","10.8224","0.0019","17.875","0.003","34.803","0.006","90","","90","","90","","6733","2","125","","125","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C6 H4 B F9 N2 S -","- C6 H4 B F9 N2 S -","- C144 H96 B24 F216 N48 S24 -","24","3","","Iakobson, George; Du, Junyi; Slawin, Alexandra M. Z.; Beier, Petr","Pyridine-promoted dediazoniation of aryldiazonium tetrafluoroborates: Application to the synthesis of SF5-substituted phenylboronic esters and iodobenzenes.","Beilstein journal of organic chemistry","2015","11","","1494","1502","10.3762/bjoc.11.162","","","0.71075","MoKα","","","0.1339","","","","0.2412","","","","","","1.345","","","","has coordinates","160569","2020-10-21","18:00:00",""
"4031363","18.848","0.004","25.98","0.005","10.209","0.002","90","","90","","90","","4999.1","1.7","93","2","93","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C33.25 H25.5 Cl0.5 P -","- C33.25 H25.5 Cl0.5 P -","- C266 H204 Cl4 P8 -","8","2","","Guidone, Stefano; Nahra, Fady; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Ruthenium indenylidene ""1(st) generation"" olefin metathesis catalysts containing triisopropyl phosphite.","Beilstein journal of organic chemistry","2015","11","","1520","1527","10.3762/bjoc.11.166","","","0.71073","MoKα","","0.1053","0.0796","","","0.2041","0.2199","","","","","","0.944","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031364","13.703","0.002","16.085","0.003","41.003","0.007","90","","90","","90","","9038","3","125","2","125","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C45 H71 Cl2 O3 P2 Ru -","- C45 H71 Cl2 O3 P2 Ru -","- C360 H568 Cl16 O24 P16 Ru8 -","8","1","","Guidone, Stefano; Nahra, Fady; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Ruthenium indenylidene ""1(st) generation"" olefin metathesis catalysts containing triisopropyl phosphite.","Beilstein journal of organic chemistry","2015","11","","1520","1527","10.3762/bjoc.11.166","","","0.71073","MoKα","","0.0992","0.073","","","0.198","0.2295","","","","","","1.27","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031365","13.067","0.002","15.91","0.002","37.178","0.006","90","","90","","90","","7729","2","93","2","93","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C33 H52 Cl2 O6 P2 Ru -","- C33 H52 Cl2 O6 P2 Ru -","- C264 H416 Cl16 O48 P16 Ru8 -","8","1","","Guidone, Stefano; Nahra, Fady; Slawin, Alexandra M. Z.; Cazin, Catherine S. J.","Ruthenium indenylidene ""1(st) generation"" olefin metathesis catalysts containing triisopropyl phosphite.","Beilstein journal of organic chemistry","2015","11","","1520","1527","10.3762/bjoc.11.166","","","0.71073","MoKα","","0.0642","0.0433","","","0.0891","0.0979","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031516","12.6905","0.0003","18.5911","0.0003","14.3067","0.0004","90","","113.687","0.003","90","","3091.02","0.14","183","2","183","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H41 Cl3 N2 -","- C32 H41 Cl3 N2 -","- C128 H164 Cl12 N8 -","4","1","","Grieco, Gabriele; Blacque, Olivier; Berke, Heinz","A facile synthetic route to benzimidazolium salts bearing bulky aromatic N-substituents.","Beilstein journal of organic chemistry","2015","11","","1656","1666","10.3762/bjoc.11.182","","","1.5418","CuKα","","0.085","0.0777","","","0.2073","0.2142","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031517","12.2554","0.0003","4.962","0.0001","15.2826","0.0003","90","","109.783","0.001","90","","874.51","0.03","104","2","104","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 N2 O4 -","- C20 H22 N2 O4 -","- C40 H44 N4 O8 -","2","1","","Zhang, Hanmo; Hay, E. Ben; Geib, Stephen J.; Curran, Dennis P.","Fates of imine intermediates in radical cyclizations ofN-sulfonylindoles and ene-sulfonamides","Beilstein Journal of Organic Chemistry","2015","11","","1649","","10.3762/bjoc.11.181","","","1.54178","CuKα","","0.0519","0.0439","","","0.1059","0.1092","","","","","","1.075","","","","has coordinates","157541","2020-10-21","18:00:00",""
"4031535","23.24","0.003","10.341","0.0005","16.06","0.004","90","","130.19","0.03","90","","2948.4","1.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 F12 N10 P2 Ru -","- C20 H22 F12 N10 P2 Ru -","- C80 H88 F48 N40 P8 Ru4 -","4","0.5","","Chen, Chao; Lu, Chunxin; Zheng, Qing; Ni, Shengliang; Zhang, Min; Chen, Wanzhi","Synthesis and structures of ruthenium-NHC complexes and their catalysis in hydrogen transfer reaction.","Beilstein journal of organic chemistry","2015","11","","1786","1795","10.3762/bjoc.11.194","","","0.71073","MoKα","","0.0617","0.0539","","","0.1465","0.1558","","","","","","1.059","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031536","11.2914","0.0005","12.7244","0.0006","21.4357","0.0011","90","","102.469","0.004","90","","3007.2","0.3","293","2","293","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C16 H20 F12 N8 P2 Ru -","- C16 H20 F12 N8 P2 Ru -","- C64 H80 F48 N32 P8 Ru4 -","4","1","","Chen, Chao; Lu, Chunxin; Zheng, Qing; Ni, Shengliang; Zhang, Min; Chen, Wanzhi","Synthesis and structures of ruthenium-NHC complexes and their catalysis in hydrogen transfer reaction.","Beilstein journal of organic chemistry","2015","11","","1786","1795","10.3762/bjoc.11.194","","","0.71073","MoKα","","0.0913","0.0712","","","0.2121","0.2322","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031537","11.4695","0.0012","13.1322","0.0014","13.7721","0.0014","97.701","0.001","103.213","0.001","94.057","0.001","1990.1","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H31 F12 N9 O0 P2 Ru -","- C29 H31 F12 N9 P2 Ru -","- C58 H62 F24 N18 P4 Ru2 -","2","1","","Chen, Chao; Lu, Chunxin; Zheng, Qing; Ni, Shengliang; Zhang, Min; Chen, Wanzhi","Synthesis and structures of ruthenium-NHC complexes and their catalysis in hydrogen transfer reaction.","Beilstein journal of organic chemistry","2015","11","","1786","1795","10.3762/bjoc.11.194","","","0.71073","MoKα","","0.0389","0.0373","","","0.0973","0.0984","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031538","9.913","0.0016","12.665","0.002","18.222","0.003","90","","90","","66.96","","2105.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H35 F12 N8 P3 Ru -","- C34 H35 F12 N8 P3 Ru -","- C68 H70 F24 N16 P6 Ru2 -","2","1","","Chen, Chao; Lu, Chunxin; Zheng, Qing; Ni, Shengliang; Zhang, Min; Chen, Wanzhi","Synthesis and structures of ruthenium-NHC complexes and their catalysis in hydrogen transfer reaction.","Beilstein journal of organic chemistry","2015","11","","1786","1795","10.3762/bjoc.11.194","","","0.71073","MoKα","","0.0455","0.0418","","","0.102","0.1049","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031539","10.957","0.0008","22.2567","0.0016","16.8706","0.0011","90","","97.384","0.006","90","","4080.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C24 H22 F12 N8 P2 Ru -","- C24 H22 F12 N8 P2 Ru -","- C96 H88 F48 N32 P8 Ru4 -","4","1","","Chen, Chao; Lu, Chunxin; Zheng, Qing; Ni, Shengliang; Zhang, Min; Chen, Wanzhi","Synthesis and structures of ruthenium-NHC complexes and their catalysis in hydrogen transfer reaction.","Beilstein journal of organic chemistry","2015","11","","1786","1795","10.3762/bjoc.11.194","","","0.71073","MoKα","","0.0794","0.0604","","","0.1788","0.1904","","","","","","1.083","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031711","32.848","0.002","9.4827","0.0002","9.8663","0.0002","90","","90","","90","","3073.2","0.2","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H34 Cu N4 O6 -","- C32 H34 Cu N4 O6 -","- C128 H136 Cu4 N16 O24 -","4","1","","Beniazza, Redouane; Bayo, Natalia; Molton, Florian; Duboc, Carole; Massip, Stéphane; McClenaghan, Nathan; Lastécouères, Dominique; Vincent, Jean-Marc","Effective ascorbate-free and photolatent click reactions in water using a photoreducible copper(II)-ethylenediamine precatalyst.","Beilstein journal of organic chemistry","2015","11","","1950","1959","10.3762/bjoc.11.211","","","1.54187","CuKα","","0.0595","0.0553","","","0.1516","0.1566","","","","","","1.088","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4031712","8.3624","0.0002","13.5055","0.0003","14.8586","0.001","76.556","0.005","82.642","0.006","85.677","0.006","1616.87","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H34 Cu O8 -","- C36 H34 Cu O8 -","- C72 H68 Cu2 O16 -","2","1","","Beniazza, Redouane; Bayo, Natalia; Molton, Florian; Duboc, Carole; Massip, Stéphane; McClenaghan, Nathan; Lastécouères, Dominique; Vincent, Jean-Marc","Effective ascorbate-free and photolatent click reactions in water using a photoreducible copper(II)-ethylenediamine precatalyst.","Beilstein journal of organic chemistry","2015","11","","1950","1959","10.3762/bjoc.11.211","","","1.54187","CuKα","","0.057","0.0478","","","0.1283","0.1595","","","","","","1.054","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"4031721","14.4632","0.0006","10.7632","0.0005","14.5754","0.0006","90","","105.357","0.0013","90","","2187.94","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 O2 P S -","- C24 H27 O2 P S -","- C96 H108 O8 P4 S4 -","4","1","","Malysheva, Svetlana F.; Artem'ev, Alexander V.; Gusarova, Nina K.; Belogorlova, Nataliya A.; Albanov, Alexander I.; Liu, C. W.; Trofimov, Boris A.","Aerobic addition of secondary phosphine oxides to vinyl sulfides: a shortcut to 1-hydroxy-2-(organosulfanyl)ethyl(diorganyl)phosphine oxides.","Beilstein journal of organic chemistry","2015","11","","1985","1990","10.3762/bjoc.11.214","","","0.71073","MoKα","","0.0901","0.0448","","","0.084","0.1002","","","","","","1.009","","","","has coordinates","173614","2020-10-21","18:00:00",""
"4031742","16.3306","0.0003","10.2549","0.0002","11.1879","0.0002","90","","90","","90","","1873.62","0.06","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H29 Cl N2 Ni -","- C20 H29 Cl N2 Ni -","- C80 H116 Cl4 N8 Ni4 -","4","1","","Yau, Johnathon; Hunt, Kaarel E.; McDougall, Laura; Kennedy, Alan R.; Nelson, David J.","Half-sandwich nickel(II) complexes bearing 1,3-di(cycloalkyl)imidazol-2-ylidene ligands.","Beilstein journal of organic chemistry","2015","11","","2171","2178","10.3762/bjoc.11.235","","","0.71073","MoKα","","0.0412","0.0336","","","0.0652","0.0683","","","","","","1.021","","","","has coordinates","173613","2020-10-21","18:00:00",""
"4031743","8.5685","0.0002","13.9639","0.0003","25.1631","0.0006","90","","97.719","0.002","90","","2983.48","0.12","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H53 Cl N2 Ni -","- C32 H53 Cl N2 Ni -","- C128 H212 Cl4 N8 Ni4 -","4","1","","Yau, Johnathon; Hunt, Kaarel E.; McDougall, Laura; Kennedy, Alan R.; Nelson, David J.","Half-sandwich nickel(II) complexes bearing 1,3-di(cycloalkyl)imidazol-2-ylidene ligands.","Beilstein journal of organic chemistry","2015","11","","2171","2178","10.3762/bjoc.11.235","","","1.5418","CuKα","","0.0587","0.0427","","","0.1037","0.1145","","","","","","1.036","","","","has coordinates","173613","2020-10-21","18:00:00",""
"4031800","11.5881","0.0002","12.315","0.0002","19.3155","0.0014","90","","100.473","0.007","90","","2710.5","0.2","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C59 H77 Cl N4 Pd2 -","- C59 H77 Cl N4 Pd2 -","- C118 H154 Cl2 N8 Pd4 -","2","1","","Melvin, Patrick R.; Hazari, Nilay; Lant, Hannah M. C.; Peczak, Ian L.; Shah, Hemali P.","Comparison of the catalytic activity for the Suzuki‒Miyaura reaction of (η5-Cp)Pd(IPr)Cl with (η3-cinnamyl)Pd(IPr)(Cl) and (η3-1-t-Bu-indenyl)Pd(IPr)(Cl)","Beilstein Journal of Organic Chemistry","2015","11","","2476","","10.3762/bjoc.11.269","","","1.54178","CuKα","","0.0218","0.0218","","","0.0555","0.0556","","","","","","1.055","","","","has coordinates","173609","2020-10-21","18:00:00",""
"4033275","11.8026","0.0007","8.2761","0.0004","37.697","0.003","90","","90","","90","","3682.2","0.4","","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H23 N O S2 -","- C21 N O S2 -","- C168 N8 O8 S16 -","8","1","","Laura G Sarbu; Lucian G Bahrin; Peter G Jones; Lucian M Birsa; Henning Hopf","[2.2]Paracyclophane derivatives containing tetrathiafulvalene moieties","Beilstein Journal of Organic Chemistry","2015","11","","1917","1921","10.3762/bjoc.11.207","","x-ray","1.54184","CuKα","","0.0548","0.0478","","","0.1116","0.1162","","","","","","1.09","","","","has coordinates","204217","2020-10-21","18:00:00",""
"4033276","7.4723","0.0003","23.1083","0.0008","9.2378","0.0004","90","","93.56","0.003","90","","1592.03","0.11","","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H16 S3 -","- C19 S3 -","- C76 S12 -","4","2","","Laura G Sarbu; Lucian G Bahrin; Peter G Jones; Lucian M Birsa; Henning Hopf","[2.2]Paracyclophane derivatives containing tetrathiafulvalene moieties","Beilstein Journal of Organic Chemistry","2015","11","","1917","1921","10.3762/bjoc.11.207","","x-ray","1.54184","CuKα","","0.0457","0.045","","","0.1203","0.1208","","","","","","1.071","","","","has coordinates","204218","2020-10-21","18:00:00",""
"4327718","11.018","0.005","15.752","0.007","16.814","0.007","90","","97.406","0.006","90","","2894","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H56 N14 Ni3 O12 -","- C60 H56 N14 Ni3 O12 -","- C120 H112 N28 Ni6 O24 -","2","0.5","","Ran, J-W; Zhang, S-Y; Hu, B; Xu, B; Li, Y","Trinuclear and mononuclear nickel(II) complexes incorporating tridentate 2-[(pyridine-2-ylimine)methyl]phenol ligand: Syntheses, crystal structures and magnetic properties","Inorganic Chemistry Communications","2008","11","","1464","1477","","","","0.71073","MoKα","","0.1259","0.0522","","","0.1148","0.166","","","","","","1.097","","","","has coordinates","179380","2020-10-21","18:00:00",""
"4327719","8.226","0.0016","23.529","0.005","8.6399","0.0017","90","","106.65","0.03","90","","1602.1","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 Cl2 Cu N6 O4 -","- C34 H34 Cl2 Cu N6 O4 -","- C68 H68 Cl4 Cu2 N12 O8 -","2","0.5","","Huang, X; Xia, Y; Zhang, H; Yan, Z; Tang, Y; Yang, X-J; Wu, B","Synthesis, crystal structure, and fluorescence studies of (1-naphthyl)(pyridyl)urea metal complexes","Inorganic Chemistry Communications","2008","11","","450","453","10.1016/j.inoche.2008.01.021","","","0.71073","MoKα","","0.0481","0.0383","","","0.1023","0.1067","","","","","","1.042","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4327720","8.5665","0.0011","22.112","0.003","8.7338","0.0011","90","","105.618","0.002","90","","1593.3","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 Cl2 Co N6 O4 -","- C34 H34 Cl2 Co N6 O4 -","- C68 H68 Cl4 Co2 N12 O8 -","2","0.5","","Huang, X; Xia, Y; Zhang, H; Yan, Z; Tang, Y; Yang, X-J; Wu, B","Synthesis, crystal structure, and fluorescence studies of (1-naphthyl)(pyridyl)urea metal complexes","Inorganic Chemistry Communications","2008","11","","450","453","10.1016/j.inoche.2008.01.021","","","0.71073","MoKα","","0.0564","0.0433","","","0.1148","0.125","","","","","","1.062","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4327721","8.4859","0.0017","22.277","0.005","8.7065","0.0017","90","","105.71","0.03","90","","1584.4","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 Cl2 N6 Ni O4 -","- C34 H34 Cl2 N6 Ni O4 -","- C68 H68 Cl4 N12 Ni2 O8 -","2","0.5","","Huang, X; Xia, Y; Zhang, H; Yan, Z; Tang, Y; Yang, X-J; Wu, B","Synthesis, crystal structure, and fluorescence studies of (1-naphthyl)(pyridyl)urea metal complexes","Inorganic Chemistry Communications","2008","11","","450","453","10.1016/j.inoche.2008.01.021","","","0.71073","MoKα","","0.0736","0.045","","","0.1072","0.1212","","","","","","1.078","","","","has coordinates","288183","2023-12-08","14:42:59",""
"4331443","9.599","","5.755","","8.974","","90","","90","","90","","495.744","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","S F3 B F4","","- B F7 S -","- B F7 S -","- B4 F28 S4 -","4","0.5","","Zalkin, A.; Gibler, D.D.; Fischer, M.; Bartlett, N.; Adams, C.J.","Structural studies of trifluorosulfur(IV)yl, (S F3)(+), salts including the crystal structure of (S F3)(+) (B F4)(-)","Inorganic Chemistry","1972","11","","2325","2329","10.1021/ic50116a007","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4343598","9.88","","10","","10.13","","90","","90","","90","","1000.84","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Xe F (S O3 F)","","- F2 O3 S Xe -","- F2 O3 S Xe -","- F16 O24 S8 Xe8 -","8","1","","Bartlett, N.; Wechsberg, M.; Jones, G.R.; Burbank, R.D.","The crystal structure of xenon(II) fluoride fluorosulfate, F Xe O S O2 F","Inorganic Chemistry","1972","11","","1124","1127","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343599","13.619","","6.837","","18.405","","90","","102.67","","90","","1672.02","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Am2 (S O4)3 (H2 O)8","","- Am2 H16 O20 S3 -","- Am2 O20 S3 -","- Am8 O80 S12 -","4","0.5","","Burns, J.H.; Baybarz, R.D.","Crystal structure of americium sulfate octahydrate","Inorganic Chemistry","1972","11","","2233","2237","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343602","10.2866","","8.0689","","15.0146","","90","","90","","90","","1246.23","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Rh H (N H3)5 (Cl O4)2","","- Cl2 H16 N5 O8 Rh -","- Cl2 H16 N5 O8 Rh -","- Cl8 H64 N20 O32 Rh4 -","4","1","","Coyle, B.A.; Ibers, J.A.","The crystal structure of hydridopentaamminerhodium(III) perchlorate","Inorganic Chemistry","1972","11","","1105","1109","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343603","8.37","","6.877","","9.244","","90","","90","","90","","532.089","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","N H4 (V O (O2)2 (N H3))","","- H7 N2 O5 V -","- H7 N2 O5 V -","- H28 N8 O20 V4 -","4","0.5","","Drew, R.E.; Einstein, F.W.B.","The crystal structure of ammonium oxodiperoxoamminevanadate(V)","Inorganic Chemistry","1972","11","","1079","1083","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343631","14.19","","14.5","","5.27","","90","","90.6","","90","","1084.27","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Br F4 Sb2 F11","","- Br F15 Sb2 -","- Br F15 Sb2 -","- Br4 F60 Sb8 -","4","1","","Lind, M.D.; Christe, K.O.","The crystal structure of (Br F4)(+) (Sb2 F11(-))","Inorganic Chemistry","1972","11","","608","612","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343632","4.653","","4.653","","4.653","","90","","90","","90","","100.739","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ho Sn3 -","- Ho Sn3 -","- Ho Sn3 -","1","0.0208333","","Miller, K.; Hall, H.T.","High-pressure synthesis of rare earth-tritin compounds","Inorganic Chemistry","1972","11","","1188","1191","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4343636","9.759","","12.608","","12.878","","90","","91.57","","90","","1583.93","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","Ru (C O)4 (Ge Cl3)2","","- C4 Cl6 Ge2 O4 Ru -","- C4 Cl6 Ge2 O4 Ru -","- C16 Cl24 Ge8 O16 Ru4 -","4","2","","Ball, R.D.; Bennett, M.J.","The crystal and molecular structures of the cis and trans isomers of bis(trichlorogermanyl)tetracarbonylruthenium","Inorganic Chemistry","1972","11","","1806","1811","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343637","9.152","","10.025","","8.399","","90","","94.84","","90","","767.85","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ru (C O)4 (Ge Cl3)2","","- C4 Cl6 Ge2 O4 Ru -","- C4 Cl6 Ge2 O4 Ru -","- C8 Cl12 Ge4 O8 Ru2 -","2","0.5","","Ball, R.D.; Bennett, M.J.","The crystal and molecular structures of the cis and trans isomers of bis(trichlorogermanyl)tetracarbonylruthenium","Inorganic Chemistry","1972","11","","1806","1811","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343639","7.49","","7.49","","13.24","","90","","90","","90","","742.765","","","","","","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","U (B H4)4","","- B4 H16 U -","- B4 H16 U -","- B16 H64 U4 -","4","0.5","","Bernstein, E.R.; Lippard, S.J.; Hamilton, W.C.; Mayerle, J.J.; Keiderling, T.A.; la Placa, S.J.","14-Coordinate Uranium(IV). The structure of uranium borohydride by single-crystal neutron diffraction","Inorganic Chemistry","1972","11","","3009","3016","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343645","5.61","","5.61","","5.61","","90","","90","","90","","176.558","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","Ni0.25 Pt3 O4","","- Ni0.25 O4 Pt3 -","- Ni0.25 O4 Pt3 -","- Ni0.5 O8 Pt6 -","2","0.0416667","","Cahen, D.; Ibers, J.A.; Shannon, R.D.","Structure and properties of Ni0.25 Pt3 O4. A new platinum bronze","Inorganic Chemistry","1972","11","","2311","2315","","","","","","","","","","","","","","","","","","","","","","has coordinates","144863","2020-10-21","18:00:00",""
"4343650","10.746","","14.112","","11.845","","90","","90","","90","","1796.27","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Te4 (Al Cl4)2","","- Al2 Cl8 Te4 -","- Al2 Cl8 Te4 -","- Al8 Cl32 Te16 -","4","0.5","","Couch, T.W.; Lokken, D.A.; Corbett, J.D.","The crystal structures of tetratellurium(2+) tetrachloroaluminate and heptachlorodialuminate, Te4(2+) (Al Cl4)2(-) and Te4(2+) (Al2 Cl7)2(-)","Inorganic Chemistry","1972","11","","357","362","","","","","","","","","","","","","","","","","","","","","","has coordinates","144932","2020-10-21","18:00:00",""
"4343651","9.113","","11.151","","13.096","","90","","90.2","","90","","1330.8","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Te4 (Al2 Cl7)2","","- Al4 Cl14 Te4 -","- Al4 Cl14 Te4 -","- Al8 Cl28 Te8 -","2","0.5","","Couch, T.W.; Lokken, D.A.; Corbett, J.D.","The crystal structures of tetratellurium(2+) tetrachloroaluminate and heptachlorodialuminate, Te4(2+) (Al Cl4)2(-) and Te4(2+) (Al2 Cl7)2(-)","Inorganic Chemistry","1972","11","","357","362","","","","","","","","","","","","","","","","","","","","","","has coordinates","144933","2020-10-21","18:00:00",""
"4343656","13.575","","10.465","","6.873","","90","","90","","90","","976.395","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(Os (N H3)5 N2)1 Cl2","","- Cl2 H9 N7 Os -","- Cl2 H9 N7 Os -","- Cl8 H36 N28 Os4 -","4","0.5","","Fergusson, J.E.; Robinson, W.T.; Love, J.L.","The crystal and molecular structure of dinitrogenpentaammineosmium(II) chloride, (Os (N H3)5 N2)1 Cl2, and related ruthenium complexes","Inorganic Chemistry","1972","11","","1662","1666","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343657","20.375","","8.508","","11.224","","90","","90","","90","","1945.69","","","","","","","","","","","","","2","C m c 21","C 2c -2","36","","S F3 As F6","","- As S -","- As S -","- As12 S12 -","12","1.5","","Gibler, D.D.; Zalkin, A.; Adams, C.J.; Fischer, M.; Bartlett, N.","Structural studies of trifluorosulfur(IV)yl, (S F3)(+), salts including the crystal structure of (S F3)(+) (B F4)(-)","Inorganic Chemistry","1972","11","","2325","2329","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343675","13.62","","13.62","","9.1","","90","","90","","90","","1688.09","","","","","","","","","","","","","3","I 41 c d","I 4bw -2c","110","","Be (B H4)2","","- B2 Be H8 -","- B2 Be H8 -","- B32 Be16 H128 -","16","1","","Marynick, D.S.; Lipscomb, W.N.","Crystal structure of beryllium borohydride","Inorganic Chemistry","1972","11","","820","823","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4343678","4.648","","4.648","","4.648","","90","","90","","90","","100.415","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Er Sn3 -","- Er Sn3 -","- Er Sn3 -","1","0.0208333","","Miller, K.; Hall, H.T.","High-pressure synthesis of rare earth-tritin compounds","Inorganic Chemistry","1972","11","","1188","1191","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4343679","4.659","","4.659","","4.659","","90","","90","","90","","101.13","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Dy Sn3 -","- Dy Sn3 -","- Dy Sn3 -","1","0.0208333","","Miller, K.; Hall, H.T.","High-pressure synthesis of rare earth-tritin compounds","Inorganic Chemistry","1972","11","","1188","1191","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4343681","7.639","","9.231","","26.293","","90","","90","","108.45","","1758.77","","","","","","","","","","","","","4","P 1 1 21/n","-P 2n","14","","Ru3 (C O)10 (N O)2","","- C10 N2 O12 Ru3 -","- C10 N2 O12 Ru3 -","- C40 N8 O48 Ru12 -","4","1","","Norton, J.R.; Collman, J.P.; Robinson, W.T.; Dolcetti, G.","The preparation and structure of ruthenium and osmium nitrosyl carbonyl clusters containing double-nitrosyl bridges","Inorganic Chemistry","1972","11","","382","388","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4343696","9.534","","9.032","","47.44","","90","","90.48","","90","","4084.97","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","H2 Ru4 (C O)13","","- C13 H2 O13 Ru4 -","- C13 O13 Ru4 -","- C104 O104 Ru32 -","8","2","","Yawney, D.B.W.; Doedens, R.J.","The crystal and molecular structure of the tetranuclear ruthenium carbonyl hydride alpha-H2 Ru4 (C O)13","Inorganic Chemistry","1972","11","","838","844","","","","","","","","","","","","","","","","","","","","","","has coordinates","146480","2020-10-21","18:00:00",""
"4343789","4.661","","4.661","","4.661","","90","","90","","90","","101.26","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Sn3 Tb -","- Sn3 Tb -","- Sn3 Tb -","1","0.0208333","","Miller, K.; Hall, H.T.","High-pressure synthesis of rare earth-tritin compounds","Inorganic Chemistry","1972","11","","1188","1191","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4343790","4.666","","4.666","","4.666","","90","","90","","90","","101.586","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Sn3 Y -","- Sn3 Y -","- Sn3 Y -","1","0.0208333","","Miller, K.; Hall, H.T.","High-pressure synthesis of rare earth-tritin compounds","Inorganic Chemistry","1972","11","","1188","1191","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4343816","16.368","","9.45","","18.906","","90","","106.79","","90","","2799.67","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(C Co3 (C O)9)2","","- C20 Co6 O18 -","- C20 Co6 O18 -","- C80 Co24 O72 -","4","0.5","","Brice, M.D.; Penfold, B.R.","Structural studies of derivatives of methinyltricobalt enneacarbonyls. V. Crystal structure of bis(methinyltricobalt enneacarbonyl), [C Co3 (C O)9]2","Inorganic Chemistry","1972","11","","1381","1384","","","","","","","","","","","","","","","","","","","","","","has coordinates","150521","2020-10-21","18:00:00",""
"4344111","8.69","","5.38","","4.86","","90","","90","","90","","227.216","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","N P F2","","- F2 N P -","- F2 N P -","- F8 N4 P4 -","4","0.5","","Allcock, H.R.; Kugel, R.L.; Stroh, E.G.","Phosphonitrilic Compounds. XII. The Structure and Properties of Poly(difluorophosphazene)","Inorganic Chemistry","1972","11","","1120","1123","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344312","3.88","","9.02","","8.895","","90","","90","","90","","311.304","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Li4 Rh H5","","- H5 Li4 Rh -","- H5 Li4 Rh -","- H20 Li16 Rh4 -","4","0.25","","Lundberg, L.B.; Cromer, D.T.; Magee, C.B.","Structure and bonding of the lithium rhodium hydrides Li4 Rh H4 and Li4 Rh H5","Inorganic Chemistry","1972","11","","400","404","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344313","6.338","","6.338","","4.113","","90","","90","","90","","165.22","","","","","","","","","","","","","3","I 4/m","-I 4","87","","Li4 Rh H4","","- H4 Li4 Rh -","- H4 Li4 Rh -","- H8 Li8 Rh2 -","2","0.125","","Lundberg, L.B.; Cromer, D.T.; Magee, C.B.","Structure and Bonding of the Lithium Rhodium Hydrides Li4 Rh H4 and Li4 Rh H5","Inorganic Chemistry","1972","11","","400","404","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344358","10.534","","13.441","","6.911","","90","","90","","90","","978.511","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(N H4)2 (Ru (N O) Cl5)","","- Cl5 H8 N3 O Ru -","- Cl5 H8 N3 O Ru -","- Cl20 H32 N12 O4 Ru4 -","4","1","","Veal, J. T.; Hodgson, D. J.","The Crystal and Molecular Structure of Ammonium Pentachloronitrosylruthenate(II), (N H4)2 (Ru (N O) Cl5)","Inorganic Chemistry","1972","11","","1420","1424","","","","","","","","","","","","","","","","","","","","","","has coordinates","189055","2020-10-21","18:00:00",""
"4500013","27.3388","0.001","7.1786","0.0003","19.9614","0.0007","90","","120.433","0.001","90","","3377.8","0.2","200","","200","","","","","","","","Synthesized by the authors. See text","3","C 1 2/c 1","-C 2yc","15","","","","- C8 H8 N6 -","- C8 H8 N6 -","- C128 H128 N96 -","16","2","","Duong, Adam; Maris, Thierry; Wuest,James D","Structural Similarity of Hydrogen-Bonded Networks in Crystals of Isomeric Pyridyl-Substituted Diaminotriazines","Cryst. Growth & Design","2011","11","","287","294","10.1021/cg101290r","","","1.54178","CuKα","","0.0415","0.0408","","","0.0986","0.099","","","","","","1.092","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500014","8.4261","0.0006","10.1297","0.0007","12.2194","0.001","75.928","0.004","87.136","0.004","70.451","0.004","952.79","0.13","100","","100","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C17 H20 N12 O -","- C17 H20 N12 O -","- C34 H40 N24 O2 -","2","1","","Duong, Adam; Maris, Thierry; Wuest,James D","Structural Similarity of Hydrogen-Bonded Networks in Crystals of Isomeric Pyridyl-Substituted Diaminotriazines","Cryst. Growth & Design","2011","11","","287","294","10.1021/cg101290r","","","1.54178","CuKα","","0.0523","0.0453","","","0.1339","0.1387","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500015","12.063","0.004","19.226","0.005","7.016","0.002","90","","95.029","0.002","90","","1620.9","0.8","100","","100","","","","","","","","Synthesized by the authors. See text","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N6 -","- C8 H8 N6 -","- C64 H64 N48 -","8","2","","Duong, Adam; Maris, Thierry; Wuest,James D","Structural Similarity of Hydrogen-Bonded Networks in Crystals of Isomeric Pyridyl-Substituted Diaminotriazines","Cryst. Growth & Design","2011","11","","287","294","10.1021/cg101290r","","","1.54178","CuKα","","0.0518","0.0516","","","0.1202","0.1203","","","","","","1.096","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500016","6.8585","0.0002","13.2958","0.0004","18.505","0.0005","90","","90","","90","","1687.46","0.08","150","","150","","","","","","","","Synthesized by the authors. See text","3","P b c a","-P 2ac 2ab","61","","","","- C8 H8 N6 -","- C8 H8 N6 -","- C64 H64 N48 -","8","1","","Duong, Adam; Maris, Thierry; Wuest,James D","Structural Similarity of Hydrogen-Bonded Networks in Crystals of Isomeric Pyridyl-Substituted Diaminotriazines","Cryst. Growth & Design","2011","11","","287","294","10.1021/cg101290r","","","1.54178","CuKα","","0.0338","0.0307","","","0.0808","0.0835","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500017","11.9471","0.0009","6.9732","0.0006","21.0822","0.0018","90","","101.59","0.004","90","","1720.5","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 N6 -","- C8 H8 N6 -","- C64 H64 N48 -","8","2","","Duong, Adam; Maris, Thierry; Wuest,James D","Structural Similarity of Hydrogen-Bonded Networks in Crystals of Isomeric Pyridyl-Substituted Diaminotriazines","Cryst. Growth & Design","2011","11","","287","294","10.1021/cg101290r","","","1.54178","CuKα","","0.0538","0.0514","","","0.1569","0.1586","","","","","","1.078","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500018","11.7704","0.0001","9.0941","0.0001","11.8294","0.0001","90","","97.16","0.001","90","","1256.36","0.02","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 N6 O S -","- C10 H14 N6 O S -","- C40 H56 N24 O4 S4 -","4","1","","Duong, Adam; Maris, Thierry; Wuest,James D","Structural Similarity of Hydrogen-Bonded Networks in Crystals of Isomeric Pyridyl-Substituted Diaminotriazines","Cryst. Growth & Design","2011","11","","287","294","10.1021/cg101290r","","","1.54178","CuKα","","0.0371","0.036","","","0.0992","0.0963","","","","","","1.046","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500019","9.5053","0.0005","14.2146","0.0007","19.4909","0.0009","98.831","0.002","94.263","0.002","104.765","0.002","2498.5","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","3","P -1","-P 1","2","","","","- C14 H12 N6 -","- C14 H12 N6 -","- C112 H96 N48 -","8","4","","Duong, Adam; Maris, Thierry; Wuest,James D","Structural Similarity of Hydrogen-Bonded Networks in Crystals of Isomeric Pyridyl-Substituted Diaminotriazines","Cryst. Growth & Design","2011","11","","287","294","10.1021/cg101290r","","","1.54178","CuKα","","0.1026","0.0721","","","0.1876","0.205","","","","","","1.029","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500020","16.915","0.0007","8.6926","0.0004","17.8433","0.0007","90","","109.956","0.002","90","","2466.06","0.18","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N6 -","- C14 H12 N6 -","- C112 H96 N48 -","8","2","","Duong, Adam; Maris, Thierry; Wuest,James D","Structural Similarity of Hydrogen-Bonded Networks in Crystals of Isomeric Pyridyl-Substituted Diaminotriazines","Cryst. Growth & Design","2011","11","","287","294","10.1021/cg101290r","","","1.54178","CuKα","","0.0391","0.0383","","","0.1104","0.1113","","","","","","1.032","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500021","9.31","0.001","9.719","0.001","15.859","0.002","96.589","0.002","99.854","0.002","111.024","0.003","1295.3","0.3","100","","100","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C14 H14 N6 O -","- C14 H14 N6 O -","- C56 H56 N24 O4 -","4","2","","Duong, Adam; Maris, Thierry; Wuest,James D","Structural Similarity of Hydrogen-Bonded Networks in Crystals of Isomeric Pyridyl-Substituted Diaminotriazines","Cryst. Growth & Design","2011","11","","287","294","10.1021/cg101290r","","","1.54178","CuKα","","0.0372","0.0371","","","0.088","0.0881","","","","","","1.087","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500022","7.2112","0.0002","49.9305","0.0013","11.9101","0.0003","90","","103.679","0.001","90","","4166.7","0.19","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N6 O2 -","- C14 H16 N6 O2 -","- C168 H192 N72 O24 -","12","3","","Duong, Adam; Maris, Thierry; Wuest,James D","Structural Similarity of Hydrogen-Bonded Networks in Crystals of Isomeric Pyridyl-Substituted Diaminotriazines","Cryst. Growth & Design","2011","11","","287","294","10.1021/cg101290r","","","1.54178","CuKα","","0.075","0.0549","","","0.135","0.147","","","","","","1.04","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500023","7.0142","0.0002","18.5089","0.0004","18.5309","0.0004","90","","90","","90","","2405.78","0.1","100","2","100","2","","","","","","","Synthesized by the authors. See text","3","P b c a","-P 2ac 2ab","61","","","","- C14 H12 N6 -","- C14 H12 N6 -","- C112 H96 N48 -","8","1","","Duong, Adam; Maris, Thierry; Wuest,James D","Structural Similarity of Hydrogen-Bonded Networks in Crystals of Isomeric Pyridyl-Substituted Diaminotriazines","Cryst. Growth & Design","2011","11","","287","294","10.1021/cg101290r","","","1.54178","CuKα","","0.0322","0.0314","","","0.0845","0.0855","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500024","10.5537","0.0008","7.544","0.0006","18.6318","0.0014","90","","115.3","0.004","90","","1341.13","0.18","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 1 2/c 1","-P 2yc","13","","","","- C20 H22 Ag Cl N14 O4 -","- C20 H22 Ag Cl N14 O4 -","- C40 H44 Ag2 Cl2 N28 O8 -","2","0.5","","Duong, Adam; Valérie Métivaud; Maris, Thierry; Wuest,James D","Surrogates of 2,2'-Bipyridine Designed to Chelate Ag(I) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals","Cryst. Growth & Design","2011","11","","2026","2034","10.1021/cg2003194","","","1.54178","CuKα","","0.0658","0.0652","","","0.1555","0.1558","","","","","","1.099","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500025","9.0902","0.0006","6.8526","0.0004","12.999","0.0008","90","","103.304","0.003","90","","788","0.09","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 N7 -","- C7 H7 N7 -","- C28 H28 N28 -","4","1","","Duong, Adam; Valérie Métivaud; Maris, Thierry; Wuest,James D","Surrogates of 2,2'-Bipyridine Designed to Chelate Ag(I) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals","Cryst. Growth & Design","2011","11","","2026","2034","10.1021/cg2003194","","","1.54178","CuKα","","0.0423","0.0359","","","0.1021","0.1178","","","","","","1.111","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500026","7.7","0.0004","16.4473","0.0009","15.7512","0.0008","90","","93.649","0.003","90","","1990.75","0.18","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Ag Cl N14 O4 -","- C14 H14 Ag Cl N14 O4 -","- C56 H56 Ag4 Cl4 N56 O16 -","4","1","","Duong, Adam; Valérie Métivaud; Maris, Thierry; Wuest,James D","Surrogates of 2,2'-Bipyridine Designed to Chelate Ag(I) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals","Cryst. Growth & Design","2011","11","","2026","2034","10.1021/cg2003194","","","1.54178","CuKα","","0.0324","0.0293","","","0.0808","0.0846","","","","","","1.083","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500027","7.8","0.0002","7.8","0.0002","13.6369","0.0003","90","","90","","90","","829.67","0.04","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 43 21 2","P 4nw 2abw","96","","","","- C7 H7 N7 -","- C7 H7 N7 -","- C28 H28 N28 -","4","0.5","","Duong, Adam; Valérie Métivaud; Maris, Thierry; Wuest,James D","Surrogates of 2,2'-Bipyridine Designed to Chelate Ag(I) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals","Cryst. Growth & Design","2011","11","","2026","2034","10.1021/cg2003194","","","1.54178","CuKα","","0.0274","0.0274","","","0.0735","0.0735","","","","","","1.071","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500028","7.3464","0.0003","15.6714","0.0005","16.961","0.0006","90","","91.854","0.002","90","","1951.67","0.12","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 1 21 1","P 2yb","4","","","","- C14 H14 Ag B F4 N14 -","- C14 H14 Ag B F4 N14 -","- C56 H56 Ag4 B4 F16 N56 -","4","2","","Duong, Adam; Valérie Métivaud; Maris, Thierry; Wuest,James D","Surrogates of 2,2'-Bipyridine Designed to Chelate Ag(I) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals","Cryst. Growth & Design","2011","11","","2026","2034","10.1021/cg2003194","","","1.54178","CuKα","","0.0253","0.025","","","0.0635","0.0641","","","","","","1.028","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500029","8.5605","0.0005","11.7582","0.0006","11.9111","0.0007","90","","103.195","0.002","90","","1167.27","0.11","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 Ag Cl N7 O4 -","- C7 H7 Ag Cl N7 O4 -","- C28 H28 Ag4 Cl4 N28 O16 -","4","1","","Duong, Adam; Valérie Métivaud; Maris, Thierry; Wuest,James D","Surrogates of 2,2'-Bipyridine Designed to Chelate Ag(I) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals","Cryst. Growth & Design","2011","11","","2026","2034","10.1021/cg2003194","","","1.54178","CuKα","","0.0358","0.0357","","","0.0978","0.0979","","","","","","1.034","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500030","11.6531","0.0003","14.1616","0.0003","12.6255","0.0003","90","","93.576","0.001","90","","2079.49","0.09","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Ag Cl N12 O4 -","- C16 H16 Ag Cl N12 O4 -","- C64 H64 Ag4 Cl4 N48 O16 -","4","1","","Duong, Adam; Valérie Métivaud; Maris, Thierry; Wuest,James D","Surrogates of 2,2'-Bipyridine Designed to Chelate Ag(I) and Create Metallotectons for Engineering Hydrogen-Bonded Crystals","Cryst. Growth & Design","2011","11","","2026","2034","10.1021/cg2003194","","","1.54178","CuKα","","0.0459","0.0402","","","0.1071","0.1122","","","","","","1.028","","","","has coordinates,has disorder","179531","2020-10-21","18:00:00",""
"4500088","14.572","0.004","5.3275","0.0016","19.39","0.005","90","","99.986","0.007","90","","1482.5","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H12 N4 O6 S2 -","- C11 H12 N4 O6 S2 -","- C44 H48 N16 O24 S8 -","4","0.5","","Lago, Ana Belén; Carballo, Rosa; García-Martínez, Emilia; Vázquez-López, Ezequiel M.","Metal to Ligand Interactions and Hydrogen Bonding in the Design of Metallosupramolecular Compounds: Effect of pH and Aprotic Solvents on the Nature of Materials Based on Bis(4-pyridylthio)methane and Copper(II) Chloride","Crystal Growth & Design","2011","11","1","59","","10.1021/cg1004566","","","0.71073","MoKα","","0.1843","0.053","","","0.0622","0.0823","","","","","","0.731","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500089","28.535","0.003","7.8893","0.0009","15.4803","0.0017","90","","104.618","0.002","90","","3372.1","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Cl8 Cu2 N4 S4 -","- C22 H24 Cl8 Cu2 N4 S4 -","- C88 H96 Cl32 Cu8 N16 S16 -","4","0.5","","Lago, Ana Belén; Carballo, Rosa; García-Martínez, Emilia; Vázquez-López, Ezequiel M.","Metal to Ligand Interactions and Hydrogen Bonding in the Design of Metallosupramolecular Compounds: Effect of pH and Aprotic Solvents on the Nature of Materials Based on Bis(4-pyridylthio)methane and Copper(II) Chloride","Crystal Growth & Design","2011","11","1","59","","10.1021/cg1004566","","","0.71073","MoKα","","0.072","0.0367","","","0.0815","0.0985","","","","","","1.017","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500090","8.2421","0.0008","25.079","0.002","13.4368","0.0012","90","","97.209","0.002","90","","2755.5","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H21 Cl3 Cu N4 S4 -","- C22 H21 Cl3 Cu N4 S4 -","- C88 H84 Cl12 Cu4 N16 S16 -","4","0.5","","Lago, Ana Belén; Carballo, Rosa; García-Martínez, Emilia; Vázquez-López, Ezequiel M.","Metal to Ligand Interactions and Hydrogen Bonding in the Design of Metallosupramolecular Compounds: Effect of pH and Aprotic Solvents on the Nature of Materials Based on Bis(4-pyridylthio)methane and Copper(II) Chloride","Crystal Growth & Design","2011","11","1","59","","10.1021/cg1004566","","","0.71073","MoKα","","0.1048","0.0396","","","0.0604","0.0697","","","","","","0.83","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500091","10.458","0.0016","14.53","0.002","18.41","0.003","90","","92.112","0.003","90","","2795.6","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 Cl4 Cu N4 O0 S4 -","- C22 H22 Cl4 Cu N4 S4 -","- C88 H88 Cl16 Cu4 N16 S16 -","4","0.5","","Lago, Ana Belén; Carballo, Rosa; García-Martínez, Emilia; Vázquez-López, Ezequiel M.","Metal to Ligand Interactions and Hydrogen Bonding in the Design of Metallosupramolecular Compounds: Effect of pH and Aprotic Solvents on the Nature of Materials Based on Bis(4-pyridylthio)methane and Copper(II) Chloride","Crystal Growth & Design","2011","11","1","59","","10.1021/cg1004566","","","0.71073","MoKα","","0.1748","0.054","","","0.1187","0.1723","","","","","","0.976","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500092","17.659","0.004","13.109","0.003","12.019","0.002","90","","122.62","0.03","90","","2343.4","1.2","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C17 H24 Cl2 Cu N4 O2 S2 -","- C17 H24 Cl2 Cu N4 O2 S2 -","- C68 H96 Cl8 Cu4 N16 O8 S8 -","4","0.5","","Lago, Ana Belén; Carballo, Rosa; García-Martínez, Emilia; Vázquez-López, Ezequiel M.","Metal to Ligand Interactions and Hydrogen Bonding in the Design of Metallosupramolecular Compounds: Effect of pH and Aprotic Solvents on the Nature of Materials Based on Bis(4-pyridylthio)methane and Copper(II) Chloride","Crystal Growth & Design","2011","11","1","59","","10.1021/cg1004566","","","0.71073","MoKα","","0.1129","0.0658","","","0.13","0.1452","","","","","","1.084","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500093","18.746","0.002","11.9969","0.0015","11.619","0.0016","90","","121.424","0.002","90","","2229.8","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 Cl2 Cu N2 S2 -","- C11 H10 Cl2 Cu N2 S2 -","- C44 H40 Cl8 Cu4 N8 S8 -","4","0.5","","Lago, Ana Belén; Carballo, Rosa; García-Martínez, Emilia; Vázquez-López, Ezequiel M.","Metal to Ligand Interactions and Hydrogen Bonding in the Design of Metallosupramolecular Compounds: Effect of pH and Aprotic Solvents on the Nature of Materials Based on Bis(4-pyridylthio)methane and Copper(II) Chloride","Crystal Growth & Design","2011","11","1","59","","10.1021/cg1004566","","","0.71073","MoKα","","0.1469","0.0634","","","0.1441","0.1592","","","","","","0.765","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500094","7.9828","0.0004","10.9899","0.0008","14.7699","0.0011","68.585","0.003","87.3","0.004","79.219","0.004","1184.7","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","(isonicotinamide).(nicotinamide)","","- C6 H6 N2 O -","- C6 H6 N2 O -","- C48 H48 N16 O8 -","8","4","","Báthori, Nikoletta B.; Lemmerer, Andreas; Venter, Gerhard A.; Bourne, Susan A.; Caira, Mino R.","Pharmaceutical Co-crystals with Isonicotinamide—Vitamin B3, Clofibric Acid, and Diclofenac—and Two Isonicotinamide Hydrates","Crystal Growth & Design","2011","11","1","75","","10.1021/cg100670k","","","0.71073","MoKα","","0.0542","0.0366","","","0.086","0.095","","","","","","1.021","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500095","6.9843","0.0002","15.8948","0.0005","16.2722","0.0005","110.079","0.002","99.792","0.002","95.324","0.002","1649.48","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(isonicotinamide).(clofibric acid)","","- C16 H17 Cl N2 O4 -","- C16 H17 Cl N2 O4 -","- C64 H68 Cl4 N8 O16 -","4","2","","Báthori, Nikoletta B.; Lemmerer, Andreas; Venter, Gerhard A.; Bourne, Susan A.; Caira, Mino R.","Pharmaceutical Co-crystals with Isonicotinamide—Vitamin B3, Clofibric Acid, and Diclofenac—and Two Isonicotinamide Hydrates","Crystal Growth & Design","2011","11","1","75","","10.1021/cg100670k","","","0.71073","MoKα","","0.0389","0.0324","","","0.0847","0.0896","","","","","","1.02","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500096","7.4641","0.0003","8.8223","0.0002","14.8006","0.0006","89.144","0.002","87.628","0.002","82.788","0.002","966.04","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","(isonicotinamide).(diclofenac)","","- C20 H17 Cl2 N3 O3 -","- C20 H17 Cl2 N3 O3 -","- C40 H34 Cl4 N6 O6 -","2","1","","Báthori, Nikoletta B.; Lemmerer, Andreas; Venter, Gerhard A.; Bourne, Susan A.; Caira, Mino R.","Pharmaceutical Co-crystals with Isonicotinamide—Vitamin B3, Clofibric Acid, and Diclofenac—and Two Isonicotinamide Hydrates","Crystal Growth & Design","2011","11","1","75","","10.1021/cg100670k","","","0.71073","MoKα","","0.0548","0.0456","","","0.12","0.1281","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500097","7.418","0.002","10.774","0.003","16.608","0.005","90","","92.686","0.007","90","","1325.9","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(isonicotinamide) hydrate Form I","","- C6 H8 N2 O2 -","- C6 H8 N2 O2 -","- C48 H64 N16 O16 -","8","2","","Báthori, Nikoletta B.; Lemmerer, Andreas; Venter, Gerhard A.; Bourne, Susan A.; Caira, Mino R.","Pharmaceutical Co-crystals with Isonicotinamide—Vitamin B3, Clofibric Acid, and Diclofenac—and Two Isonicotinamide Hydrates","Crystal Growth & Design","2011","11","1","75","","10.1021/cg100670k","","","0.71073","MoKα","","0.0414","0.0362","","","0.1136","0.1226","","","","","","1.119","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500098","19.0991","0.0017","7.4858","0.0007","22.7304","0.0015","90","","123.792","0.005","90","","2700.8","0.4","173","2","173","2","","","","","","","","4","P 1 c 1","P -2yc","7","","(isonicotinamide) hydrate Form II","","- C6 H8 N2 O2 -","- C6 H8 N2 O2 -","- C96 H128 N32 O32 -","16","8","","Báthori, Nikoletta B.; Lemmerer, Andreas; Venter, Gerhard A.; Bourne, Susan A.; Caira, Mino R.","Pharmaceutical Co-crystals with Isonicotinamide—Vitamin B3, Clofibric Acid, and Diclofenac—and Two Isonicotinamide Hydrates","Crystal Growth & Design","2011","11","1","75","","10.1021/cg100670k","","","0.71073","MoKα","","0.0632","0.035","","","0.0916","0.1108","","","","","","1.033","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500099","9.733","0.003","5.7183","0.0017","10.359","0.003","90","","93.193","0.004","90","","575.6","0.3","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H12 N2 O4 S2 Zn -","- C8 H12 N2 O4 S2 Zn -","- C16 H24 N4 O8 S4 Zn2 -","2","1","","Dong, Lanjun; Chu, Wei; Zhu, Qinlei; Huang, Rudan","Three Novel Homochiral Helical Metal−Organic Frameworks Based on Amino Acid Ligand: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2011","11","1","93","","10.1021/cg1009175","","","0.71073","MoKα","","0.0506","0.039","","","0.0887","0.0979","","","","","","0.867","","","","has coordinates","179531","2020-10-21","18:00:00",""
"4500100","21.746","0.004","8.954","0.0018","6.159","0.0012","90","","90","","90","","1199.2","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Cd N2 O4 S2 -","- C8 H12 Cd N2 O4 S2 -","- C32 H48 Cd4 N8 O16 S8 -","4","1","","Dong, Lanjun; Chu, Wei; Zhu, Qinlei; Huang, Rudan","Three Novel Homochiral Helical Metal−Organic Frameworks Based on Amino Acid Ligand: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2011","11","1","93","","10.1021/cg1009175","","","0.71073","MoKα","","0.036","0.0316","","","0.0672","0.0699","","","","","","1.007","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500101","5.897","0.006","10.146","0.011","10.077","0.01","90","","90.165","0.006","90","","602.9","1.1","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H12 N2 Ni O4 S2 -","- C8 H12 N2 Ni O4 S2 -","- C16 H24 N4 Ni2 O8 S4 -","2","1","","Dong, Lanjun; Chu, Wei; Zhu, Qinlei; Huang, Rudan","Three Novel Homochiral Helical Metal−Organic Frameworks Based on Amino Acid Ligand: Syntheses, Crystal Structures, and Properties","Crystal Growth & Design","2011","11","1","93","","10.1021/cg1009175","","","0.71073","MoKα","","0.1743","0.0646","","","0.106","0.1346","","","","","","0.997","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500102","22.2229","0.0011","16.1021","0.0008","26.9252","0.0014","90","","90.062","0.001","90","","9634.8","0.8","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C94 H80 N2 S15 Zn8 -","- C94 H80 N2 S15 Zn8 -","- C376 H320 N8 S60 Zn32 -","4","1","","Xie, Jingli; Batten, Stuart R.; Zou, Yang; Ren, Xiaoming","Observation of in Situ Ligand Reactions during the Assembly of Crystalline Zn−S Clusters","Crystal Growth & Design","2011","11","1","16","","10.1021/cg100926g","","","0.71073","MoKα","","0.0654","0.0543","","","0.1367","0.1455","","","","","","1.021","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500103","20.663","0.003","16.514","0.002","31.871","0.004","90","","106.104","0.002","90","","10449","2","130","2","130","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C106 H88 N2 S17 Zn8 -","- C106 H88 N2 S17 Zn8 -","- C424 H352 N8 S68 Zn32 -","4","1","","Xie, Jingli; Batten, Stuart R.; Zou, Yang; Ren, Xiaoming","Observation of in Situ Ligand Reactions during the Assembly of Crystalline Zn−S Clusters","Crystal Growth & Design","2011","11","1","16","","10.1021/cg100926g","","","0.71073","MoKα","","0.0949","0.0832","","","0.1741","0.1804","","","","","","1.178","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500104","60.797","0.016","19.604","0.005","18.548","0.005","90","","102.58","0.005","90","","21576","10","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C106 H88 N2 S17 Zn8 -","- C106 H83 N2 S17 Zn8 -","- C848 H664 N16 S136 Zn64 -","8","1","","Xie, Jingli; Batten, Stuart R.; Zou, Yang; Ren, Xiaoming","Observation of in Situ Ligand Reactions during the Assembly of Crystalline Zn−S Clusters","Crystal Growth & Design","2011","11","1","16","","10.1021/cg100926g","","","0.71073","MoKα","","0.1144","0.0968","","","0.1835","0.1911","","","","","","1.266","","","","has coordinates,has disorder","179532","2020-10-21","18:00:00",""
"4500105","26.183","0.012","12.963","0.006","28.952","0.013","90","","91.984","0.009","90","","9821","8","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C94 H78 I2 N2 S15 Zn8 -","- C94 H78 I2 N2 S15 Zn8 -","- C376 H312 I8 N8 S60 Zn32 -","4","1","","Xie, Jingli; Batten, Stuart R.; Zou, Yang; Ren, Xiaoming","Observation of in Situ Ligand Reactions during the Assembly of Crystalline Zn−S Clusters","Crystal Growth & Design","2011","11","1","16","","10.1021/cg100926g","","","0.71073","MoKα","","0.1176","0.0683","","","0.1513","0.1677","","","","","","1.05","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500106","25.9261","0.0014","13.2222","0.0007","31.9549","0.0016","90","","101.894","0.001","90","","10719","1","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C102 H96 N2 S15 Zn8 -","- C102 H96 N2 S15 Zn8 -","- C408 H384 N8 S60 Zn32 -","4","1","","Xie, Jingli; Batten, Stuart R.; Zou, Yang; Ren, Xiaoming","Observation of in Situ Ligand Reactions during the Assembly of Crystalline Zn−S Clusters","Crystal Growth & Design","2011","11","1","16","","10.1021/cg100926g","","","0.71073","MoKα","","0.1022","0.0481","","","0.0839","0.0951","","","","","","1.06","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500107","13.4355","0.0013","27.915","0.003","55.873","0.005","90","","91.919","0.002","90","","20944","4","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C110 H88 N2 S15 Zn8 -","- C110 H88 N2 S15 Zn8 -","- C880 H704 N16 S120 Zn64 -","8","2","","Xie, Jingli; Batten, Stuart R.; Zou, Yang; Ren, Xiaoming","Observation of in Situ Ligand Reactions during the Assembly of Crystalline Zn−S Clusters","Crystal Growth & Design","2011","11","1","16","","10.1021/cg100926g","","","0.71073","MoKα","","0.2064","0.1143","","","0.2402","0.2695","","","","","","0.973","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500108","8.6109","0.0006","9.0319","0.0006","9.9523","0.0007","84.481","0.002","83.279","0.002","74.652","0.002","739.56","0.09","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","catena-{L-histidinium-κO-(μ~3~hydrogenphosphato)(μ~4~phosphato)- dizinc(II)} hydrate","","- C6 H13 N3 O11 P2 Zn2 -","- C6 H13 N3 O11 P2 Zn2 -","- C12 H26 N6 O22 P4 Zn4 -","2","1","","Mekhatria, Djilali; Rigolet, Séverinne; Janiak, Christoph; Simon-Masseron, Angélique; Hasnaoui, Mohammed Abdelkrim; Bengueddach, Abdelkader","A New Inorganic−Organic Hybrid Zinc Phosphate Prepared withl-Histidine with an Unusual Stability in Water","Crystal Growth & Design","2011","11","2","396","","10.1021/cg100952q","","","0.71073","MoKα","","0.0364","0.033","","","0.0665","0.0679","","","","","","1.089","","","","has coordinates,has disorder","179532","2020-10-21","18:00:00",""
"4500109","10.1155","0.0009","21.3388","0.0018","27.37","0.002","90","","90","","90","","5907.9","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C66 H60 Cd2 N8 O8 -","- C66 H60 Cd2 N8 O8 -","- C264 H240 Cd8 N32 O32 -","4","1","","Farnum, Gregory A.; Pochodylo, Amy L.; LaDuca, Robert L.","Tether Length Control of Topology in Cadmium 4-Methylphthalate Two-Dimensional Coordination Polymers: An Acentric Buckled Grid and a Rare Self-Catenated Layer","Crystal Growth & Design","2011","11","3","678","","10.1021/cg100972s","","","0.71073","MoKα","","0.0325","0.0281","","","0.0664","0.0688","","","","","","1.042","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500110","22.0525","0.0017","23.1373","0.0018","10.1729","0.0008","90","","90","","90","","5190.6","0.7","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C57 H54 Cd2 N6 O8 -","- C57 H54 Cd2 N6 O8 -","- C228 H216 Cd8 N24 O32 -","4","0.5","","Farnum, Gregory A.; Pochodylo, Amy L.; LaDuca, Robert L.","Tether Length Control of Topology in Cadmium 4-Methylphthalate Two-Dimensional Coordination Polymers: An Acentric Buckled Grid and a Rare Self-Catenated Layer","Crystal Growth & Design","2011","11","3","678","","10.1021/cg100972s","","","0.71073","MoKα","","0.0571","0.0405","","","0.0912","0.1001","","","","","","1.061","","","","has coordinates,has disorder","179532","2020-10-21","18:00:00",""
"4500111","13.5715","0.0017","13.5715","0.0017","8.7125","0.0012","90","","90","","120","","1389.7","0.3","213","2","213","2","","","","","","","","7","P 63 m c","P 6c -2c","186","","","","- C15 H36 Cu3 Mo N7 O4 S3 -","- C15 H36 Cu3 Mo N7 O4 S3 -","- C30 H72 Cu6 Mo2 N14 O8 S6 -","2","0.166667","","Zhang, Jinfang; Meng, Suci; Song, Yinglin; Zhou, Yimeng; Cao, Yuan; Li, Jianghua; Zhao, Huajian; Hu, Jingchun; Wu, Jinhua; Humphrey, Mark G.; Zhang, Chi","Syntheses, Structural, Theoretical, and Nonlinear Optical Studies of Non-Interpenetrating Three-Dimensional Nest-Shaped-Cluster [MoOS3Cu3]-Based Coordination Polymers","Crystal Growth & Design","2011","11","1","100","","10.1021/cg1009779","","","0.7107","MoKα","","0.0292","0.0291","","","0.0785","0.0785","","","","","","1.117","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500112","27.543","0.004","13.7619","0.0018","17.35","0.002","90","","99.34","0.004","90","","6489.2","1.5","153","2","153","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C49 H50 Cu6 Mo2 N14 O4 S6 -","- C43 H32 Cu6 Mo2 N11 O2 S6 -","- C172 H128 Cu24 Mo8 N44 O8 S24 -","4","0.5","","Zhang, Jinfang; Meng, Suci; Song, Yinglin; Zhou, Yimeng; Cao, Yuan; Li, Jianghua; Zhao, Huajian; Hu, Jingchun; Wu, Jinhua; Humphrey, Mark G.; Zhang, Chi","Syntheses, Structural, Theoretical, and Nonlinear Optical Studies of Non-Interpenetrating Three-Dimensional Nest-Shaped-Cluster [MoOS3Cu3]-Based Coordination Polymers","Crystal Growth & Design","2011","11","1","100","","10.1021/cg1009779","","","0.7107","MoKα","","0.0939","0.076","","","0.1536","0.1623","","","","","","1.226","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500113","27.55","0.005","13.281","0.003","20.356","0.004","90","","97.03","0.03","90","","7392","3","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C57 H58 Cu6 Mo2 N14 O4 S6 -","- C51 Cu6 Mo2 N11 O2 S6 -","- C204 Cu24 Mo8 N44 O8 S24 -","4","0.5","","Zhang, Jinfang; Meng, Suci; Song, Yinglin; Zhou, Yimeng; Cao, Yuan; Li, Jianghua; Zhao, Huajian; Hu, Jingchun; Wu, Jinhua; Humphrey, Mark G.; Zhang, Chi","Syntheses, Structural, Theoretical, and Nonlinear Optical Studies of Non-Interpenetrating Three-Dimensional Nest-Shaped-Cluster [MoOS3Cu3]-Based Coordination Polymers","Crystal Growth & Design","2011","11","1","100","","10.1021/cg1009779","","","0.71073","MoKα","","0.0807","0.0653","","","0.14","0.1488","","","","","","1.148","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500114","7.943","0.002","23.633","0.006","4.8675","0.0012","90","","104.864","0.006","90","","883.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 N3 O3 -","- C8 H9 N3 O3 -","- C32 H36 N12 O12 -","4","1","","Pindelska, Edyta; Dobrzycki, Lukasz; Woźniak, Krzysztof; Kolodziejski, Waclaw","Polymorphism of Crystalline 4-Amino-2-Nitroacetanilide","Crystal Growth & Design","2011","11","6","2074","","10.1021/cg100989t","","","0.71073","MoKα","","0.0374","0.0316","","","0.0791","0.083","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500115","7.962","0.003","24.157","0.009","4.8805","0.0018","90","","104.597","0.009","90","","908.4","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 N3 O3 -","- C8 H9 N3 O3 -","- C32 H36 N12 O12 -","4","1","","Pindelska, Edyta; Dobrzycki, Lukasz; Woźniak, Krzysztof; Kolodziejski, Waclaw","Polymorphism of Crystalline 4-Amino-2-Nitroacetanilide","Crystal Growth & Design","2011","11","6","2074","","10.1021/cg100989t","","","0.71073","MoKα","","0.0507","0.0361","","","0.0884","0.0976","","","","","","1.032","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500116","12.7022","0.0011","3.8175","0.0002","17.3647","0.0016","90","","91.632","0.007","90","","841.68","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 N3 O3 -","- C8 H9 N3 O3 -","- C32 H36 N12 O12 -","4","1","","Pindelska, Edyta; Dobrzycki, Lukasz; Woźniak, Krzysztof; Kolodziejski, Waclaw","Polymorphism of Crystalline 4-Amino-2-Nitroacetanilide","Crystal Growth & Design","2011","11","6","2074","","10.1021/cg100989t","","","0.71073","MoKα","","0.0623","0.0448","","","0.1545","0.1597","","","","","","1.176","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500117","22.6561","0.0014","11.7274","0.0007","7.3264","0.0004","90","","102.933","0.005","90","","1897.2","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H11 N3 O4 -","- C8 H11 N3 O4 -","- C64 H88 N24 O32 -","8","1","","Pindelska, Edyta; Dobrzycki, Lukasz; Woźniak, Krzysztof; Kolodziejski, Waclaw","Polymorphism of Crystalline 4-Amino-2-Nitroacetanilide","Crystal Growth & Design","2011","11","6","2074","","10.1021/cg100989t","","","0.71073","MoKα","","0.0521","0.0319","","","0.0737","0.0773","","","","","","0.877","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500118","9.1295","0.0002","18.6869","0.0005","9.7902","0.0002","90","","90","","90","","1670.23","0.07","120","","120","","","","","","","","","4","P c a 21","P 2c -2ac","29","","picric acid","","- C6 H3 N3 O7 -","- C6 H3 N3 O7 -","- C48 H24 N24 O56 -","8","2","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.0526","0.0401","","","0.0899","0.0963","","","","","","1.026","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500119","13.5569","0.0003","20.4528","0.0005","9.4315","0.0002","90","","110.883","0.0012","90","","2443.34","0.1","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","acetamidinium picrate","","- C8 H9 N5 O7 -","- C8 H9 N5 O7 -","- C64 H72 N40 O56 -","8","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.0737","0.0543","","","0.1556","0.1708","","","","","","1.063","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500120","5.9114","0.0001","13.7255","0.0004","20.7588","0.0007","90","","90","","90","","1684.31","0.08","295","","295","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-phenylpyridinium picrate","","- C17 H12 N4 O7 -","- C17 H12 N4 O7 -","- C68 H48 N16 O28 -","4","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.0615","0.0415","","","0.0989","0.1093","","","","","","1.043","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500121","8.2179","0.0001","13.5852","0.0003","11.8314","0.0002","90","","102.024","0.0009","90","","1291.9","0.04","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-aminopyridinium picrate","","- C11 H9 N5 O7 -","- C11 H9 N5 O7 -","- C44 H36 N20 O28 -","4","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.0716","0.0569","","","0.1611","0.1741","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500122","8.5133","0.0002","11.3464","0.0002","14.3375","0.0003","90","","104.199","0.0008","90","","1342.62","0.05","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-aminopyridinium picrate","","- C11 H9 N5 O7 -","- C11 H9 N5 O7 -","- C44 H36 N20 O28 -","4","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.0605","0.0427","","","0.1098","0.1197","","","","","","1.03","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500123","5.9086","0.0002","8.043","0.0003","13.868","0.0007","88.8722","0.0016","81.3468","0.0014","89.619","0.003","651.41","0.05","295","","295","","","","","","","","","4","P -1","-P 1","2","","2-aminopyrimidinium picrate","","- C10 H8 N6 O7 -","- C10 H8 N6 O7 -","- C20 H16 N12 O14 -","2","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.0732","0.0466","","","0.1215","0.1392","","","","","","1.021","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500124","7.4694","0.0004","8.0532","0.0004","13.7314","0.0008","81.205","0.002","78.66","0.002","90.01","0.003","799.94","0.08","295","","295","","","","","","","","","4","P 1","P 1","1","","8-aminoquinolinium picrate","","- C15 H11 N5 O7 -","- C15 H11 N5 O7 -","- C30 H22 N10 O14 -","2","2","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.0917","0.0886","","","0.2379","0.2427","","","","","","1.039","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500125","7.5976","0.0001","27.1229","0.0005","8.2111","0.0001","90","","110.502","0.0009","90","","1584.88","0.04","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,6-dimethyl-3,4-dihydropyrimidinium picrate hydrate","","- C12 H13 N5 O9 -","- C12 H13 N5 O9 -","- C48 H52 N20 O36 -","4","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.0676","0.0479","","","0.1271","0.1397","","","","","","1.065","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500126","11.2042","0.0003","8.3035","0.0002","15.9837","0.0004","90","","90.1988","0.001","90","","1487.02","0.07","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-oxo-3,4-dihydroquinazolium picrate","","- C14 H9 N5 O8 -","- C14 H9 N5 O8 -","- C56 H36 N20 O32 -","4","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.0748","0.0537","","","0.1406","0.158","","","","","","1.028","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500127","8.1074","0.0002","13.306","0.0003","24.6747","0.0007","90","","96.6479","0.0008","90","","2643.94","0.12","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-hydroxy-5-methyl-1H-pyrazol-2-ium picrate","","- C10 H9 N5 O8 -","- C10 H9 N5 O8 -","- C80 H72 N40 O64 -","8","2","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.1158","0.0746","","","0.1978","0.2263","","","","","","1.057","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500128","12.3573","0.0003","3.7312","0.0001","27.6064","0.0007","90","","93.0759","0.0009","90","","1271.03","0.06","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-hydroxypyridinium picrate","","- C11 H8 N4 O8 -","- C11 H8 N4 O8 -","- C44 H32 N16 O32 -","4","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.0679","0.0452","","","0.1158","0.1283","","","","","","1.034","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500129","7.3174","0.0002","15.2404","0.0004","12.6802","0.0004","90","","96.9655","0.001","90","","1403.66","0.07","295","","295","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","2-hydroxy-6-methylpyridinium picrate","","- C12 H10 N4 O8 -","- C12 H10 N4 O8 -","- C48 H40 N16 O32 -","4","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.0967","0.084","","","0.23","0.2433","","","","","","1.106","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500130","11.0933","0.0005","11.2083","0.0006","11.6431","0.0007","93.833","0.002","102.105","0.002","98.328","0.003","1393.46","0.13","295","","295","","","","","","","","","4","P -1","-P 1","2","","2-hydroxy-4-methylpyridinium picrate","","- C12 H10 N4 O8 -","- C12 H10 N4 O8 -","- C48 H40 N16 O32 -","4","2","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.1373","0.0835","","","0.2125","0.2646","","","","","","1.029","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500131","10.5264","0.0003","5.1071","0.0001","37.6367","0.0014","90","","90.169","0.001","90","","2023.32","0.1","295","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-hydroxy-4-methylpyridinium picrate, 4-methylpyridin-2(1H)-one","","- C18 H17 N5 O9 -","- C18 H17 N5 O9 -","- C72 H68 N20 O36 -","4","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.1411","0.0463","","","0.0808","0.1032","","","","","","0.903","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500132","15.214","0.0004","8.2542","0.0002","23.416","0.0007","90","","97.4066","0.001","90","","2916.03","0.14","295","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4-nitropyridine-N-oxide, picric acid","","- C11 H7 N5 O10 -","- C11 H7 N5 O10 -","- C88 H56 N40 O80 -","8","1","","Bertolasi, Valerio; Gilli, Paola; Gilli, Gastone","Hydrogen Bonding and Electron Donor−Acceptor (EDA) Interactions Controlling the Crystal Packing of Picric Acid and Its Adducts with Nitrogen Bases. Their Rationalization in Terms of the pKaEqualization and Electron-Pair Saturation Concepts","Crystal Growth & Design","2011","11","7","2724","","10.1021/cg101007a","","","0.71073","MoKα","","0.0689","0.0427","","","0.1029","0.1188","","","","","","1.051","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500133","14.2726","0.0004","8.647","0.0003","21.3133","0.0008","90","","95.9812","0.0014","90","","2616.07","0.15","90","0.2","90","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C120 H128 N16 O16 -","8","2","","Long, Sihui; Siegler, Maxime A.; Mattei, Alessandra; Li, Tonglei","Phase Transition from TwoZ′ = 1 Forms to aZ′ = 2 Form of a Concomitant Conformational Polymorphic System","Crystal Growth & Design","2011","11","2","414","","10.1021/cg101009g","","","0.71073","MoKα","","0.1147","0.0536","","","0.1243","0.1524","","","","","","0.951","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500134","7.5301","0.0002","7.5301","0.0002","20.6215","0.001","90","","90","","120","","1012.63","0.06","90","0.2","90","0.2","","","","","","","","4","P 32","P 32","145","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C45 H48 N6 O6 -","3","1","","Long, Sihui; Siegler, Maxime A.; Mattei, Alessandra; Li, Tonglei","Phase Transition from TwoZ′ = 1 Forms to aZ′ = 2 Form of a Concomitant Conformational Polymorphic System","Crystal Growth & Design","2011","11","2","414","","10.1021/cg101009g","","","0.71073","MoKα","","0.1048","0.051","","","0.1128","0.136","","","","","","0.976","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500135","9.2035","0.0003","14.083","0.0004","10.6939","0.0004","90","","100.741","0.0012","90","","1361.78","0.08","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N2 O2 -","- C15 H16 N2 O2 -","- C60 H64 N8 O8 -","4","1","","Long, Sihui; Siegler, Maxime A.; Mattei, Alessandra; Li, Tonglei","Phase Transition from TwoZ′ = 1 Forms to aZ′ = 2 Form of a Concomitant Conformational Polymorphic System","Crystal Growth & Design","2011","11","2","414","","10.1021/cg101009g","","","0.71073","MoKα","","0.0884","0.051","","","0.1211","0.1386","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500136","20.027","0.004","12.024","0.002","22.675","0.005","90","","107.23","0.03","90","","5215","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Anhydrous Lithium Acetate","Anhydrous Lithium Acetate","","- C30 H45 Li15 O30 -","- C30 H45 Li15 O30 -","- C120 H180 Li60 O120 -","4","1","","Martínez Casado, F. J.; Ramos Riesco, M.; Redondo, M. I.; Choquesillo-Lazarte, D.; López-Andrés, S.; Cheda, J. A. Rodríguez","Anhydrous Lithium Acetate Polymorphs and Its Hydrates: Three-Dimensional Coordination Polymers","Crystal Growth & Design","2011","11","4","1021","","10.1021/cg1010133","","","0.7379","Synchrotron","","0.0372","0.0354","","","0.0961","0.0977","","","","","","1.023","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500137","20.424","0.004","12.081","0.002","22.735","0.005","90","","107.92","0.03","90","","5338","2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Anhydrous Lithium Acetate","Anhydrous Lithium Acetate","","- C30 H45 Li15 O30 -","- C30 H45 Li15 O30 -","- C120 H180 Li60 O120 -","4","1","","Martínez Casado, F. J.; Ramos Riesco, M.; Redondo, M. I.; Choquesillo-Lazarte, D.; López-Andrés, S.; Cheda, J. A. Rodríguez","Anhydrous Lithium Acetate Polymorphs and Its Hydrates: Three-Dimensional Coordination Polymers","Crystal Growth & Design","2011","11","4","1021","","10.1021/cg1010133","","","0.7379","Synchrotron","","0.0557","0.0504","","","0.1415","0.1471","","","","","","1.051","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500138","23.488","0.005","27.709","0.006","29.963","0.006","99.59","0.03","91.8","0.03","106.93","0.03","18329","8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Anhydrous Lithium Acetate","Anhydrous Lithium Acetate","","- C216 H324 Li108 O216 -","- C216 H324 Li108 O216 -","- C432 H648 Li216 O432 -","2","1","","Martínez Casado, F. J.; Ramos Riesco, M.; Redondo, M. I.; Choquesillo-Lazarte, D.; López-Andrés, S.; Cheda, J. A. Rodríguez","Anhydrous Lithium Acetate Polymorphs and Its Hydrates: Three-Dimensional Coordination Polymers","Crystal Growth & Design","2011","11","4","1021","","10.1021/cg1010133","","","0.9803","Synchrotron","","0.0877","0.0749","","","0.2071","0.2231","","","","","","1.01","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500139","7.689","0.0015","11.959","0.002","13.881","0.003","72.28","0.03","88.93","0.03","89.08","0.03","1215.6","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","hepta-lithium acetate trihydrate","Lithium acetate hydrate (0.429)","","- C14 H26 Li7 O17 -","- C14 H26 Li7 O17 -","- C28 H52 Li14 O34 -","2","1","","Martínez Casado, F. J.; Ramos Riesco, M.; Redondo, M. I.; Choquesillo-Lazarte, D.; López-Andrés, S.; Cheda, J. A. Rodríguez","Anhydrous Lithium Acetate Polymorphs and Its Hydrates: Three-Dimensional Coordination Polymers","Crystal Growth & Design","2011","11","4","1021","","10.1021/cg1010133","","","0.7293","Synchrotron","","0.0391","0.0383","","","0.1083","0.1094","","","","","","0.918","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500140","7.087","0.0014","14.514","0.003","15.298","0.003","90","","99.8","0.03","90","","1550.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Lithium acetate monohydrate","Lithium acetate monohydrate","","- C8 H20 Li4 O12 -","- C8 H20 Li4 O12 -","- C32 H80 Li16 O48 -","4","1","","Martínez Casado, F. J.; Ramos Riesco, M.; Redondo, M. I.; Choquesillo-Lazarte, D.; López-Andrés, S.; Cheda, J. A. Rodríguez","Anhydrous Lithium Acetate Polymorphs and Its Hydrates: Three-Dimensional Coordination Polymers","Crystal Growth & Design","2011","11","4","1021","","10.1021/cg1010133","","","0.7293","Synchrotron","","0.048","0.0449","","","0.1233","0.1282","","","","","","0.996","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500141","6.734","0.0013","10.885","0.002","6.565","0.0013","90","","90","","90","","481.21","0.16","100","2","100","2","","","","","","","","4","C m m m","-C 2 2","65","Lithium acetate dihydrate","Lithium acetate dihydrate","","- C2 H7 Li O4 -","- C2 H7.08 Li O4 -","- C8 H28.32 Li4 O16 -","4","0.25","","Martínez Casado, F. J.; Ramos Riesco, M.; Redondo, M. I.; Choquesillo-Lazarte, D.; López-Andrés, S.; Cheda, J. A. Rodríguez","Anhydrous Lithium Acetate Polymorphs and Its Hydrates: Three-Dimensional Coordination Polymers","Crystal Growth & Design","2011","11","4","1021","","10.1021/cg1010133","","","0.7293","Synchrotron","","0.0356","0.0354","","","0.079","0.0792","","","","","","1.112","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500142","8.8195","0.0011","5.0838","0.0006","11.78","0.0015","90","","109.4","0.001","90","","498.19","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C3 H4 Cu N3 S -","- C3 H4 Cu N3 S -","- C12 H16 Cu4 N12 S4 -","4","1","","Wang, Yu-Ling; Zhang, Na; Liu, Qing-Yan; Shan, Zeng-Mei; Cao, Rong; Wang, Ming-Sheng; Luo, Jun-Jian; Yang, Er-Lei","Diversity of Architecture of Copper(I) Coordination Polymers Constructed of Copper(I) Halides and 4-Methyl-1,2,4-Triazole-3-Thiol (Hmptrz) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","1","130","","10.1021/cg101018b","","","0.71073","MoKα","","0.035","0.033","","","0.091","0.093","","","","","","1.008","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500143","5.871","0.003","13.107","0.006","10.051","0.005","90","","96.792","0.008","90","","768","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C3 H5 Cu I N3 S -","- C3 H5 Cu I N3 S -","- C12 H20 Cu4 I4 N12 S4 -","4","1","","Wang, Yu-Ling; Zhang, Na; Liu, Qing-Yan; Shan, Zeng-Mei; Cao, Rong; Wang, Ming-Sheng; Luo, Jun-Jian; Yang, Er-Lei","Diversity of Architecture of Copper(I) Coordination Polymers Constructed of Copper(I) Halides and 4-Methyl-1,2,4-Triazole-3-Thiol (Hmptrz) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","1","130","","10.1021/cg101018b","","","0.71073","MoKα","","0.0695","0.0525","","","0.1284","0.1908","","","","","","1.079","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500144","15.6513","0.0015","16.1222","0.0015","16.0671","0.0015","90","","90","","90","","4054.3","0.7","296","2","296","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H8 Cu6 I4 N6 S2 -","- C6 H8 Cu6 I4 N6 S2 -","- C48 H64 Cu48 I32 N48 S16 -","8","1","","Wang, Yu-Ling; Zhang, Na; Liu, Qing-Yan; Shan, Zeng-Mei; Cao, Rong; Wang, Ming-Sheng; Luo, Jun-Jian; Yang, Er-Lei","Diversity of Architecture of Copper(I) Coordination Polymers Constructed of Copper(I) Halides and 4-Methyl-1,2,4-Triazole-3-Thiol (Hmptrz) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","1","130","","10.1021/cg101018b","","","0.71073","MoKα","","0.0607","0.038","","","0.0805","0.0899","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500145","7.1138","0.0007","11.0894","0.0011","11.8195","0.0012","104.967","0.001","92.262","0.001","100.764","0.001","881.15","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C9 H13 Cu I N9 S3 -","- C9 H13 Cu I N9 S3 -","- C18 H26 Cu2 I2 N18 S6 -","2","1","","Wang, Yu-Ling; Zhang, Na; Liu, Qing-Yan; Shan, Zeng-Mei; Cao, Rong; Wang, Ming-Sheng; Luo, Jun-Jian; Yang, Er-Lei","Diversity of Architecture of Copper(I) Coordination Polymers Constructed of Copper(I) Halides and 4-Methyl-1,2,4-Triazole-3-Thiol (Hmptrz) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","1","130","","10.1021/cg101018b","","","0.71073","MoKα","","0.0699","0.0409","","","0.0792","0.0901","","","","","","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500146","10.9375","0.0014","6.7299","0.0009","18.584","0.002","90","","90","","90","","1367.9","0.3","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H11 Ca N O6 -","- C11 H11 Ca N O6 -","- C44 H44 Ca4 N4 O24 -","4","0.5","","Liang, Po-Ching; Liu, Hsin-Kuan; Yeh, Chun-Ting; Lin, Chia-Her; Zima, Vítězslav","Supramolecular Assembly of Calcium Metal−Organic Frameworks with Structural Transformations","Crystal Growth & Design","2011","11","3","699","","10.1021/cg101114h","","","0.71073","MoKα","","0.097","0.0666","","","0.1898","0.2037","","","","","","1.044","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500147","6.9707","0.0002","17.9921","0.0007","10.008","0.0004","90","","90","","90","","1255.18","0.08","295","2","295","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H12 Ca N2 O5 -","- C11 H12 Ca N2 O5 -","- C44 H48 Ca4 N8 O20 -","4","0.5","","Liang, Po-Ching; Liu, Hsin-Kuan; Yeh, Chun-Ting; Lin, Chia-Her; Zima, Vítězslav","Supramolecular Assembly of Calcium Metal−Organic Frameworks with Structural Transformations","Crystal Growth & Design","2011","11","3","699","","10.1021/cg101114h","","","0.71073","MoKα","","0.0591","0.0466","","","0.1328","0.141","","","","","","1.058","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500148","16.614","0.002","13.1785","0.0017","15.63","0.002","90","","91.528","0.003","90","","3420.9","0.7","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H30 Ca3 N2 O19 -","- C24 H30 Ca3 N2 O19 -","- C96 H120 Ca12 N8 O76 -","4","1","","Liang, Po-Ching; Liu, Hsin-Kuan; Yeh, Chun-Ting; Lin, Chia-Her; Zima, Vítězslav","Supramolecular Assembly of Calcium Metal−Organic Frameworks with Structural Transformations","Crystal Growth & Design","2011","11","3","699","","10.1021/cg101114h","","","0.71073","MoKα","","0.0666","0.0635","","","0.1707","0.1725","","","","","","1.194","","","","has coordinates,has disorder","179532","2020-10-21","18:00:00",""
"4500149","8.3328","0.0004","8.6794","0.0004","9.9393","0.0005","70.52","0.002","84.459","0.003","73.722","0.002","650.53","0.06","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 Ca N O7 -","- C11 H11 Ca N O7 -","- C22 H22 Ca2 N2 O14 -","2","1","","Liang, Po-Ching; Liu, Hsin-Kuan; Yeh, Chun-Ting; Lin, Chia-Her; Zima, Vítězslav","Supramolecular Assembly of Calcium Metal−Organic Frameworks with Structural Transformations","Crystal Growth & Design","2011","11","3","699","","10.1021/cg101114h","","","0.71073","MoKα","","0.0703","0.057","","","0.1607","0.1755","","","","","","1.079","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500150","17.9698","0.0006","10.2569","0.0003","9.665","0.0003","90","","95.204","0.002","90","","1774.06","0.1","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Ca N2 O8 -","- C14 H18 Ca N2 O8 -","- C56 H72 Ca4 N8 O32 -","4","0.5","","Liang, Po-Ching; Liu, Hsin-Kuan; Yeh, Chun-Ting; Lin, Chia-Her; Zima, Vítězslav","Supramolecular Assembly of Calcium Metal−Organic Frameworks with Structural Transformations","Crystal Growth & Design","2011","11","3","699","","10.1021/cg101114h","","","0.71073","MoKα","","0.0678","0.0641","","","0.1889","0.1946","","","","","","1.051","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500151","6.0146","0.0002","7.6214","0.0003","11.0855","0.0005","104.367","0.002","93.316","0.002","91.769","0.002","490.9","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 Ca O8 -","- C8 H8 Ca O8 -","- C16 H16 Ca2 O16 -","2","1","","Liang, Po-Ching; Liu, Hsin-Kuan; Yeh, Chun-Ting; Lin, Chia-Her; Zima, Vítězslav","Supramolecular Assembly of Calcium Metal−Organic Frameworks with Structural Transformations","Crystal Growth & Design","2011","11","3","699","","10.1021/cg101114h","","","0.71073","MoKα","","0.0261","0.025","","","0.0716","0.0726","","","","","","1.099","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500152","20.5194","0.0019","8.6326","0.0008","17.3333","0.0016","90","","115.009","0.001","90","","2782.5","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 Br2 N2 O11 Zn2 -","- C26 H20 Br2 N2 O11 Zn2 -","- C104 H80 Br8 N8 O44 Zn8 -","4","0.5","","Ma, Lu-Fang; Li, Xiu-Qin; Meng, Qing-Lei; Wang, Li-Ya; Du, Miao; Hou, Hong-Wei","Significant Positional Isomeric Effect on Structural Assemblies of Zn(II) and Cd(II) Coordination Polymers Based on Bromoisophthalic Acids and Various Dipyridyl-Type Coligands","Crystal Growth & Design","2011","11","1","175","","10.1021/cg101123y","","","0.71073","MoKα","","0.0304","0.0261","","","0.0607","0.0629","","","","","","1.036","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500153","14.3379","0.0015","18.9193","0.0019","16.5885","0.0017","90","","100.739","0.001","90","","4421","0.8","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H19 Br Cd N2 O5 -","- C21 H19 Br Cd N2 O5 -","- C168 H152 Br8 Cd8 N16 O40 -","8","1","","Ma, Lu-Fang; Li, Xiu-Qin; Meng, Qing-Lei; Wang, Li-Ya; Du, Miao; Hou, Hong-Wei","Significant Positional Isomeric Effect on Structural Assemblies of Zn(II) and Cd(II) Coordination Polymers Based on Bromoisophthalic Acids and Various Dipyridyl-Type Coligands","Crystal Growth & Design","2011","11","1","175","","10.1021/cg101123y","","","0.71073","MoKα","","0.0655","0.0355","","","0.0673","0.078","","","","","","1.002","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500154","10.0154","0.0016","14.546","0.002","9.2314","0.0015","90","","97.496","0.002","90","","1333.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Br2 N2 O9 Zn2 -","- C26 H16 Br2 N2 O9 Zn2 -","- C52 H32 Br4 N4 O18 Zn4 -","2","0.5","","Ma, Lu-Fang; Li, Xiu-Qin; Meng, Qing-Lei; Wang, Li-Ya; Du, Miao; Hou, Hong-Wei","Significant Positional Isomeric Effect on Structural Assemblies of Zn(II) and Cd(II) Coordination Polymers Based on Bromoisophthalic Acids and Various Dipyridyl-Type Coligands","Crystal Growth & Design","2011","11","1","175","","10.1021/cg101123y","","","0.71073","MoKα","","0.05","0.0406","","","0.1053","0.1116","","","","","","1.038","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500155","10.997","0.006","14.578","0.008","12.963","0.007","90","","105.993","0.006","90","","1997.7","1.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H17 Br N2 O5 Zn -","- C20 H17 Br N2 O5 Zn -","- C80 H68 Br4 N8 O20 Zn4 -","4","1","","Ma, Lu-Fang; Li, Xiu-Qin; Meng, Qing-Lei; Wang, Li-Ya; Du, Miao; Hou, Hong-Wei","Significant Positional Isomeric Effect on Structural Assemblies of Zn(II) and Cd(II) Coordination Polymers Based on Bromoisophthalic Acids and Various Dipyridyl-Type Coligands","Crystal Growth & Design","2011","11","1","175","","10.1021/cg101123y","","","0.71073","MoKα","","0.0458","0.0309","","","0.0698","0.0749","","","","","","1.045","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500156","10.173","0.002","17.211","0.003","11.681","0.002","90","","99.371","0.002","90","","2017.9","0.6","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Br Cd N2 O4 -","- C21 H17 Br Cd N2 O4 -","- C84 H68 Br4 Cd4 N8 O16 -","4","1","","Ma, Lu-Fang; Li, Xiu-Qin; Meng, Qing-Lei; Wang, Li-Ya; Du, Miao; Hou, Hong-Wei","Significant Positional Isomeric Effect on Structural Assemblies of Zn(II) and Cd(II) Coordination Polymers Based on Bromoisophthalic Acids and Various Dipyridyl-Type Coligands","Crystal Growth & Design","2011","11","1","175","","10.1021/cg101123y","","","0.71073","MoKα","","0.0829","0.0566","","","0.1532","0.1728","","","","","","1.105","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500157","4.092","0.0004","4.092","0.0004","9.91","0.001","90","","90","","90","","165.94","0.03","198","2","198","2","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Ce Cu2 Si2 -","- Ce Cu2 Si2 -","- Ce2 Cu4 Si4 -","2","0.0625","","Cao, Chongde; Deppe, Micha; Behr, Günter; Löser, Wolfgang; Wizent, Nadja; Kataeva, Olga; Büchner, Bernd","Single Crystal Growth of the CeCu2Si2Intermetallic Compound by a Vertical Floating Zone Method","Crystal Growth & Design","2011","11","2","431","","10.1021/cg101128w","","","0.71073","MoKα","","0.0199","0.0194","","","0.0479","0.0481","","","","","","1.292","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500158","23.1978","0.0004","5.5469","0.0001","5.198","0.0001","90","","92.215","0.001","90","","668.36","0.02","","","298","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","beta resoryclic acid form I","2,4-hidyroxybenzoic acid form I","","- C7 H6 O4 -","- C7 H6 O4 -","- C28 H24 O16 -","4","1","","Braun, Doris E.; Karamertzanis, Panagiotis G.; Arlin, Jean-Baptiste; Florence, Alastair J.; Kahlenberg, Volker; Tocher, Derek A.; Griesser, Ulrich J.; Price, Sarah L.","Solid-State Forms of β-Resorcylic Acid: How Exhaustive Should a Polymorph Screen Be?","Crystal growth & design","2011","11","1","210","220","10.1021/cg101162a","powder diffraction","","","","","","","","","","","","","2.877","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500159","7.027","0.0004","9.5449","0.0004","11.1763","0.0005","96.684","0.004","104.319","0.005","98.903","0.004","708.15","0.06","173","2","173","2","","","","","","","","3","P -1","-P 1","2","beta resoryclic acid hemihydrate","2,4-hidyroxybenzoic acid hemihydrate","","- C14 H14 O9 -","- C14 H14 O9 -","- C28 H28 O18 -","2","1","","Braun, Doris E.; Karamertzanis, Panagiotis G.; Arlin, Jean-Baptiste; Florence, Alastair J.; Kahlenberg, Volker; Tocher, Derek A.; Griesser, Ulrich J.; Price, Sarah L.","Solid-State Forms of β-Resorcylic Acid: How Exhaustive Should a Polymorph Screen Be?","Crystal growth & design","2011","11","1","210","220","10.1021/cg101162a","","","0.71073","MoKα","","0.0527","0.0382","","","0.0941","0.0996","","","","","","0.966","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500160","11.7363","0.0004","8.5691","0.0002","11.831","0.0004","90","","115.973","0.005","90","","1069.67","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","beta resoryclate pyridinium salt","2,4-dihydroxybenzoate pyridinium salt","","- C12 H11 N O4 -","- C12 H11 N O4 -","- C48 H44 N4 O16 -","4","1","","Braun, Doris E.; Karamertzanis, Panagiotis G.; Arlin, Jean-Baptiste; Florence, Alastair J.; Kahlenberg, Volker; Tocher, Derek A.; Griesser, Ulrich J.; Price, Sarah L.","Solid-State Forms of β-Resorcylic Acid: How Exhaustive Should a Polymorph Screen Be?","Crystal growth & design","2011","11","1","210","220","10.1021/cg101162a","","","0.71073","MoKα","","0.0436","0.0337","","","0.0839","0.0874","","","","","","1.033","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500161","6.39832","0.00012","11.7099","0.0003","23.2362","0.0005","90","","90","","90","","1740.94","0.07","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","beta resoryclic DMSO hemisolvate","2,4-hidyroxybenzoic acid DMSO hemisolvate","","- C16 H18 O9 S -","- C16 H18 O9 S -","- C64 H72 O36 S4 -","4","1","","Braun, Doris E.; Karamertzanis, Panagiotis G.; Arlin, Jean-Baptiste; Florence, Alastair J.; Kahlenberg, Volker; Tocher, Derek A.; Griesser, Ulrich J.; Price, Sarah L.","Solid-State Forms of β-Resorcylic Acid: How Exhaustive Should a Polymorph Screen Be?","Crystal growth & design","2011","11","1","210","220","10.1021/cg101162a","","","0.71073","MoKα","","0.0431","0.0367","","","0.0863","0.0887","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500162","5.0643","0.0002","8.3299","0.0003","7.4469","0.0003","90","","107.585","0.002","90","","299.47","0.02","120","","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","Lithium hydrogen L-tartrate","","","- C4 H5 Li O6 -","- C4 H5 Li O6 -","- C8 H10 Li2 O12 -","2","1","","Yeung, Hamish H.-M.; Kosa, Monica; Parrinello, Michele; Forster, Paul M.; Cheetham, Anthony K.","Structural Diversity and Energetics in Anhydrous Lithium Tartrates: Experimental and Computational Studies of Novel Chiral Polymorphs and Their Racemic and Meso Analogues","Crystal Growth & Design","2011","11","1","221","","10.1021/cg101170k","","","0.71073","MoKα","","0.0356","0.0326","","","0.0683","0.0704","","","","","","1.109","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500163","5.0445","0.0003","14.93","0.0012","16.1053","0.0012","90","","90","","90","","1212.96","0.15","120","","120","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Dilithium L-tartrate","","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C32 H32 Li16 O48 -","8","2","","Yeung, Hamish H.-M.; Kosa, Monica; Parrinello, Michele; Forster, Paul M.; Cheetham, Anthony K.","Structural Diversity and Energetics in Anhydrous Lithium Tartrates: Experimental and Computational Studies of Novel Chiral Polymorphs and Their Racemic and Meso Analogues","Crystal Growth & Design","2011","11","1","221","","10.1021/cg101170k","","","1.5418","CuKα","","0.0517","0.0402","","","0.1005","0.1049","","","","","","0.946","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500164","5.58","0.0006","9.1055","0.0006","12.018","0.0011","90","","90","","90","","610.62","0.1","120","2","120","2","","","","","","","","4","C 2 2 21","C 2c 2","20","Dilithium L-tartrate","","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C16 H16 Li8 O24 -","4","0.5","","Yeung, Hamish H.-M.; Kosa, Monica; Parrinello, Michele; Forster, Paul M.; Cheetham, Anthony K.","Structural Diversity and Energetics in Anhydrous Lithium Tartrates: Experimental and Computational Studies of Novel Chiral Polymorphs and Their Racemic and Meso Analogues","Crystal Growth & Design","2011","11","1","221","","10.1021/cg101170k","","","0.71073","MoKα","","0.0644","0.0462","","","0.1193","0.1337","","","","","","0.916","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500165","6.0522","0.0009","5.3351","0.0008","9.8636","0.0014","90","","100.474","0.009","90","","313.18","0.08","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dilithium meso-tartrate","","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C8 H8 Li4 O12 -","2","0.5","","Yeung, Hamish H.-M.; Kosa, Monica; Parrinello, Michele; Forster, Paul M.; Cheetham, Anthony K.","Structural Diversity and Energetics in Anhydrous Lithium Tartrates: Experimental and Computational Studies of Novel Chiral Polymorphs and Their Racemic and Meso Analogues","Crystal Growth & Design","2011","11","1","221","","10.1021/cg101170k","","","0.71073","MoKα","","0.1059","0.081","","","0.1736","0.1906","","","","","","1.014","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500166","15.988","0.01","5.0193","0.0014","15.02","0.008","90","","101.5","0.05","90","","1181.1","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Dilithium D,L-tartrate","","","- C4 H4 Li2 O6 -","- C4 H4 Li2 O6 -","- C32 H32 Li16 O48 -","8","1","","Yeung, Hamish H.-M.; Kosa, Monica; Parrinello, Michele; Forster, Paul M.; Cheetham, Anthony K.","Structural Diversity and Energetics in Anhydrous Lithium Tartrates: Experimental and Computational Studies of Novel Chiral Polymorphs and Their Racemic and Meso Analogues","Crystal Growth & Design","2011","11","1","221","","10.1021/cg101170k","","","0.7709","synchrotron","","0.093","0.0673","","","0.1886","0.2069","","","","","","1.062","","","","has coordinates,has disorder","179532","2020-10-21","18:00:00",""
"4500167","27.042","0.004","15.42","0.003","8.98","0.0015","90","","104.943","0.003","90","","3617.9","1.1","291","2","291","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H31 Cd N9 O11 -","- C27 H31 Cd N9 O11 -","- C108 H124 Cd4 N36 O44 -","4","1","","Yao, Xiao-Qiang; Cao, Da-Peng; Hu, Jin-Song; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral and Porous Coordination Polymers Based on an N-Centered Triangular Rigid Ligand","Crystal Growth & Design","2011","11","1","231","","10.1021/cg1011764","","","0.71073","MoKα","","0.0718","0.0571","","","0.1154","0.1178","","","","","","1.068","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500168","16.0155","0.001","16.0155","0.001","26.675","0.003","90","","90","","120","","5925.4","0.8","291","2","291","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C54 H66 Cl2 Co N14 O12 -","- C54 H66 Cl2 Co N14 O11.9998 -","- C162 H198 Cl6 Co3 N42 O35.9994 -","3","0.166667","","Yao, Xiao-Qiang; Cao, Da-Peng; Hu, Jin-Song; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral and Porous Coordination Polymers Based on an N-Centered Triangular Rigid Ligand","Crystal Growth & Design","2011","11","1","231","","10.1021/cg1011764","","","0.71073","MoKα","","0.0713","0.0529","","","0.1162","0.1203","","","","","","1.056","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500169","9.731","0.002","18.145","0.005","18.588","0.005","90","","96.984","0.005","90","","3257.7","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H29 Co N7 O7 -","- C35 H29 Co N7 O7 -","- C140 H116 Co4 N28 O28 -","4","1","","Yao, Xiao-Qiang; Cao, Da-Peng; Hu, Jin-Song; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral and Porous Coordination Polymers Based on an N-Centered Triangular Rigid Ligand","Crystal Growth & Design","2011","11","1","231","","10.1021/cg1011764","","","0.71073","MoKα","","0.0652","0.0504","","","0.1327","0.1398","","","","","","1.001","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500170","18.1535","0.0012","18.3033","0.0014","25.2354","0.0019","90","","90","","90","","8384.9","1.1","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C140 H122 Cd4 N28 O31 -","- C140 H122 Cd4 N28 O31 -","- C280 H244 Cd8 N56 O62 -","2","0.5","","Yao, Xiao-Qiang; Cao, Da-Peng; Hu, Jin-Song; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Chiral and Porous Coordination Polymers Based on an N-Centered Triangular Rigid Ligand","Crystal Growth & Design","2011","11","1","231","","10.1021/cg1011764","","","0.71073","MoKα","","0.0713","0.054","","","0.1019","0.1054","","","","","","1.005","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500171","10.198","0.004","12.33","0.005","19.818","0.008","81.068","0.006","86.281","0.006","84.809","0.007","2448.4","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","CoMo8-DMF","","","- C18 H57 Cl Co Mo8 N10 O32 -","- C18 H57 Cl Co Mo8 N10 O32 -","- C36 H114 Cl2 Co2 Mo16 N20 O64 -","2","1","","Dey, Chandan; Das, Raja; Pachfule, Pradip; Poddar, Pankaj; Banerjee, Rahul","Structural and Selective Gas Adsorption Studies of Polyoxometalate and Tris(ethylenediamine) Cobalt(III) Based Ionic Crystals","Crystal Growth & Design","2011","11","1","139","","10.1021/cg101201b","","","0.71073","MoKα","","0.0413","0.0335","","","0.0944","0.1231","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500172","14.395","0.003","19.836","0.004","28.009","0.005","90","","90","","90","","7998","3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","CoMo12P-DEF","","","- C36 H90 Co Mo12 N12 O46 P -","- C36 H90 Co Mo12 N12 O46 P -","- C144 H360 Co4 Mo48 N48 O184 P4 -","4","1","","Dey, Chandan; Das, Raja; Pachfule, Pradip; Poddar, Pankaj; Banerjee, Rahul","Structural and Selective Gas Adsorption Studies of Polyoxometalate and Tris(ethylenediamine) Cobalt(III) Based Ionic Crystals","Crystal Growth & Design","2011","11","1","139","","10.1021/cg101201b","","","0.71073","MoKα","","0.0886","0.0604","","","0.1041","0.1125","","","","","","0.944","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500173","12.1","0.002","23.4858","0.0013","24.259","0.003","83.935","0.003","79.012","0.003","86.859","0.003","6725.4","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","CoMo12P-DMF","","","- C45 H112 Co2 Mo24 N23 O91 P2 -","- C45 H112 Co2 Mo24 N23 O91 P2 -","- C90 H224 Co4 Mo48 N46 O182 P4 -","2","1","","Dey, Chandan; Das, Raja; Pachfule, Pradip; Poddar, Pankaj; Banerjee, Rahul","Structural and Selective Gas Adsorption Studies of Polyoxometalate and Tris(ethylenediamine) Cobalt(III) Based Ionic Crystals","Crystal Growth & Design","2011","11","1","139","","10.1021/cg101201b","","","0.71073","MoKα","","0.079","0.0704","","","0.1696","0.1746","","","","","","1.127","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500174","14.538","0.003","19.929","0.004","28.151","0.006","90","","90","","90","","8156","3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","CoW12P-DEF","","","- C31 H24 Co N12 O46 P W12 -","- C31 H24 Co N12 O46 P W12 -","- C124 H96 Co4 N48 O184 P4 W48 -","4","1","","Dey, Chandan; Das, Raja; Pachfule, Pradip; Poddar, Pankaj; Banerjee, Rahul","Structural and Selective Gas Adsorption Studies of Polyoxometalate and Tris(ethylenediamine) Cobalt(III) Based Ionic Crystals","Crystal Growth & Design","2011","11","1","139","","10.1021/cg101201b","","","0.71073","MoKα","","0.1062","0.0907","","","0.2071","0.2201","","","","","","1.021","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500175","15.55","0.003","19.059","0.003","23.026","0.004","90","","97.121","0.003","90","","6772","2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","CoW12P-DMF","","","- C24 H66 Co N12 O46 P W12 -","- C24 H66 Co N12 O46 P W12 -","- C96 H264 Co4 N48 O184 P4 W48 -","4","1","","Dey, Chandan; Das, Raja; Pachfule, Pradip; Poddar, Pankaj; Banerjee, Rahul","Structural and Selective Gas Adsorption Studies of Polyoxometalate and Tris(ethylenediamine) Cobalt(III) Based Ionic Crystals","Crystal Growth & Design","2011","11","1","139","","10.1021/cg101201b","","","0.71073","MoKα","","0.1127","0.0984","","","0.2309","0.2423","","","","","","1.185","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500176","14.0765","0.0011","41.183","0.003","22.7696","0.0018","90","","93.713","0.001","90","","13172.1","1.8","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","CoW12Si-DEF","","","- C98 H232 Co4 N38 O139 Si3 W36 -","- C98 H232 Co4 N38 O139 Si3 W36 -","- C196 H464 Co8 N76 O278 Si6 W72 -","2","0.5","","Dey, Chandan; Das, Raja; Pachfule, Pradip; Poddar, Pankaj; Banerjee, Rahul","Structural and Selective Gas Adsorption Studies of Polyoxometalate and Tris(ethylenediamine) Cobalt(III) Based Ionic Crystals","Crystal Growth & Design","2011","11","1","139","","10.1021/cg101201b","","","0.71073","MoKα","","0.0964","0.0804","","","0.1893","0.1987","","","","","","1.185","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500177","13.1948","0.0011","20.9672","0.0018","29.02","0.003","93.34","0.001","95.474","0.001","97.373","0.002","7905.7","1.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","CoW12Si-DMF","","","- C54 H156 Cl Co3 N30 O95 Si2 W24 -","- C54 H156 Cl Co3 N30 O95 Si2 W24 -","- C108 H312 Cl2 Co6 N60 O190 Si4 W48 -","2","1","","Dey, Chandan; Das, Raja; Pachfule, Pradip; Poddar, Pankaj; Banerjee, Rahul","Structural and Selective Gas Adsorption Studies of Polyoxometalate and Tris(ethylenediamine) Cobalt(III) Based Ionic Crystals","Crystal Growth & Design","2011","11","1","139","","10.1021/cg101201b","","","0.71073","MoKα","","0.0933","0.0782","","","0.2046","0.2179","","","","","","1.027","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500178","7.5822","0.0012","25.215","0.006","10.554","0.003","90","","105.878","0.008","90","","1940.8","0.8","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","dihydrocarbamazepine saccharin","","","- C22 H19 N3 O4 S -","- C22 H19 N3 O4 S -","- C88 H76 N12 O16 S4 -","4","1","","Oliveira, Mark A.; Peterson, Matthew L.; Davey, Roger J.","Relative Enthalpy of Formation for Co-Crystals of Small Organic Molecules","Crystal Growth & Design","2011","11","2","449","","10.1021/cg101214m","","x-ray","0.71073","MoKα","","0.0524","0.0426","","","0.1385","0.15","","","","","","1.203","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500179","7.7883","0.0003","24.709","0.0009","10.5827","0.0004","90","","106.951","0.002","90","","1948.07","0.13","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","cyheptamide saccharin","","","- C23 H20 N2 O4 S -","- C23 H20 N2 O4 S -","- C92 H80 N8 O16 S4 -","4","1","","Oliveira, Mark A.; Peterson, Matthew L.; Davey, Roger J.","Relative Enthalpy of Formation for Co-Crystals of Small Organic Molecules","Crystal Growth & Design","2011","11","2","449","","10.1021/cg101214m","","x-ray","0.71073","MoKα","","0.0486","0.0399","","","0.1251","0.1339","","","","","","1.074","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500180","28.057","0.006","30.504","0.006","23.961","0.005","90","","90","","90","","20507","7","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C24 H48 N7 O65 P2 W18 -","- C24 H48 N7 O65.02 P2 W18 -","- C192 H384 N56 O520.16 P16 W144 -","8","1","","Fu, Hai; Li, Yangguang; Lu, Ying; Chen, Weilin; Wu, Qiong; Meng, Jingxin; Wang, Xiaolan; Zhang, Zhiming; Wang, Enbo","Polyoxometalate-Based Metal−Organic Frameworks Assembled under the Ionothermal Conditions","Crystal Growth & Design","2011","11","2","458","","10.1021/cg101224r","","","0.71073","MoKα","","0.1986","0.0816","","","0.164","0.2062","","","","","","0.957","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500181","14.661","0.003","26.008","0.005","25.117","0.007","90","","122.75","0.02","90","","8055","4","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H49 Cu N14 O62 P2 W18 -","- C35 H49 Cu N14 O62 P2 W18 -","- C140 H196 Cu4 N56 O248 P8 W72 -","4","1","","Fu, Hai; Li, Yangguang; Lu, Ying; Chen, Weilin; Wu, Qiong; Meng, Jingxin; Wang, Xiaolan; Zhang, Zhiming; Wang, Enbo","Polyoxometalate-Based Metal−Organic Frameworks Assembled under the Ionothermal Conditions","Crystal Growth & Design","2011","11","2","458","","10.1021/cg101224r","","","0.71073","MoKα","","0.0674","0.0488","","","0.087","0.0941","","","","","","1.046","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500182","18.54","0.004","13.302","0.003","43.6","0.012","90","","113.68","0.03","90","","9847","5","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C76 H108 Cu5 N32 O130 P4 W36 -","- C76 H108 Cu5 N32 O130 P4 W36 -","- C152 H216 Cu10 N64 O260 P8 W72 -","2","0.5","","Fu, Hai; Li, Yangguang; Lu, Ying; Chen, Weilin; Wu, Qiong; Meng, Jingxin; Wang, Xiaolan; Zhang, Zhiming; Wang, Enbo","Polyoxometalate-Based Metal−Organic Frameworks Assembled under the Ionothermal Conditions","Crystal Growth & Design","2011","11","2","458","","10.1021/cg101224r","","","0.71073","MoKα","","0.1376","0.0873","","","0.1598","0.1822","","","","","","1.055","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500183","13.042","0.003","14.212","0.003","28.03","0.006","96.1","0.03","90.76","0.03","117.09","0.03","4588","2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H30 Cu N16 O62 P2 W18 -","- C29 H30 Cu N16 O62 P2 W18 -","- C58 H60 Cu2 N32 O124 P4 W36 -","2","1","","Fu, Hai; Li, Yangguang; Lu, Ying; Chen, Weilin; Wu, Qiong; Meng, Jingxin; Wang, Xiaolan; Zhang, Zhiming; Wang, Enbo","Polyoxometalate-Based Metal−Organic Frameworks Assembled under the Ionothermal Conditions","Crystal Growth & Design","2011","11","2","458","","10.1021/cg101224r","","","0.71073","MoKα","","0.107","0.0645","","","0.1661","0.1816","","","","","","0.86","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500184","12.5852","0.0006","8.8884","0.0004","17.8848","0.0006","90","","124.586","0.002","90","","1647.07","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C68 H84 N4 O16 -","4","1","","Zheng, Sai-Li; Chen, Jia-Mei; Zhang, Wei-Xiong; Lu, Tong-Bu","Structures of Polymorphic Agomelatine and Its Cocrystals with Acetic Acid and Ethylene Glycol","Crystal Growth & Design","2011","11","2","466","","10.1021/cg101234p","","","0.71073","MoKα","","0.0592","0.0403","","","0.1293","0.1569","","","","","","1.164","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500185","15.43","0.0012","9.2934","0.0007","20.8558","0.0013","90","","115.241","0.004","90","","2705.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C120 H136 N8 O16 -","8","2","","Zheng, Sai-Li; Chen, Jia-Mei; Zhang, Wei-Xiong; Lu, Tong-Bu","Structures of Polymorphic Agomelatine and Its Cocrystals with Acetic Acid and Ethylene Glycol","Crystal Growth & Design","2011","11","2","466","","10.1021/cg101234p","","","0.71073","MoKα","","0.1061","0.0714","","","0.1988","0.2273","","","","","","1.036","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500186","12.751","0.0019","8.482","0.0017","11.579","0.0012","90","","99.45","0.019","90","","1235.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 O4 S -","- C12 H10 N2 O4 S -","- C48 H40 N8 O16 S4 -","4","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.","Sulfonamide Molecular Crystals: Thermodynamic and Structural Aspects","Crystal Growth & Design","2011","11","4","1067","","10.1021/cg1012389","","","0.71073","MoKα","","0.072","0.0389","","","0.0881","0.1031","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500187","5.7526","0.0011","15.465","0.003","30.087","0.006","90","","90","","90","","2676.7","0.9","293","","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 N3 O4 S -","- C12 H11 N3 O4 S -","- C96 H88 N24 O32 S8 -","8","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.","Sulfonamide Molecular Crystals: Thermodynamic and Structural Aspects","Crystal Growth & Design","2011","11","4","1067","","10.1021/cg1012389","","","0.7107","MoKα","","","0.0543","","","","0.0692","","","","","","1.149","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500188","26.764","0.006","24.756","0.005","8.0027","0.0017","90","","100.543","0.004","90","","5212.8","1.9","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 N3 O2 S -","- C13 H11 N3 O2 S -","- C208 H176 N48 O32 S16 -","16","2","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.","Sulfonamide Molecular Crystals: Thermodynamic and Structural Aspects","Crystal Growth & Design","2011","11","4","1067","","10.1021/cg1012389","","","0.7107","MoKα","","","0.0626","","","","0.067","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500189","8.8551","0.0019","8.8551","0.0019","30.282","0.007","90","","90","","90","","2374.5","0.9","293","","293","","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C12 H11 N O2 S -","- C12 H11 N O2 S -","- C96 H88 N8 O16 S8 -","8","1","","Perlovich, German L.; Ryzhakov, Alex M.; Tkachev, Valery V.; Hansen, Lars Kr.","Sulfonamide Molecular Crystals: Thermodynamic and Structural Aspects","Crystal Growth & Design","2011","11","4","1067","","10.1021/cg1012389","","","0.7107","MoKα","","","0.0615","","","","0.0537","","","","","","1.135","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500190","7.3056","0.0012","11.9291","0.0019","13.974","0.002","90","","101.169","0.003","90","","1194.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Co N8 O4 -","- C26 H22 Co N8 O4 -","- C52 H44 Co2 N16 O8 -","2","0.5","","Chen, Shui-Sheng; Lv, Gao-Chao; Fan, Jian; Okamura, Taka-aki; Chen, Min; Sun, Wei-Yin","Entangled Coordination Frameworks with 1,4-Di(1H-imidazol-4-yl)benzene","Crystal Growth & Design","2011","11","4","1082","","10.1021/cg1012439","","","0.71073","MoKα","","0.0482","0.0402","","","0.0932","0.0966","","","","","","1.047","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500191","7.2995","0.0007","11.8735","0.0012","13.8868","0.0014","90","","101.268","0.002","90","","1180.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N8 Ni O4 -","- C26 H22 N8 Ni O4 -","- C52 H44 N16 Ni2 O8 -","2","0.5","","Chen, Shui-Sheng; Lv, Gao-Chao; Fan, Jian; Okamura, Taka-aki; Chen, Min; Sun, Wei-Yin","Entangled Coordination Frameworks with 1,4-Di(1H-imidazol-4-yl)benzene","Crystal Growth & Design","2011","11","4","1082","","10.1021/cg1012439","","","0.71073","MoKα","","0.0354","0.0327","","","0.0838","0.0855","","","","","","1.006","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500192","14.314","0.003","14.314","0.003","6.2872","0.0012","90","","90","","90","","1288.2","0.5","291","2","291","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C24 H22 Co N8 O2 -","- C24 H22 Co N8 O2 -","- C48 H44 Co2 N16 O4 -","2","0.25","","Chen, Shui-Sheng; Lv, Gao-Chao; Fan, Jian; Okamura, Taka-aki; Chen, Min; Sun, Wei-Yin","Entangled Coordination Frameworks with 1,4-Di(1H-imidazol-4-yl)benzene","Crystal Growth & Design","2011","11","4","1082","","10.1021/cg1012439","","","0.71073","MoKα","","0.0506","0.0449","","","0.1093","0.1119","","","","","","1.017","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500193","9.943","0.002","21.71","0.005","13.266","0.003","90","","97.638","0.004","90","","2838.2","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N8 Ni O6 S -","- C24 H16 N8 Ni O6 S -","- C96 H64 N32 Ni4 O24 S4 -","4","1","","Chen, Shui-Sheng; Lv, Gao-Chao; Fan, Jian; Okamura, Taka-aki; Chen, Min; Sun, Wei-Yin","Entangled Coordination Frameworks with 1,4-Di(1H-imidazol-4-yl)benzene","Crystal Growth & Design","2011","11","4","1082","","10.1021/cg1012439","","","0.71073","MoKα","","0.0677","0.0523","","","0.1383","0.1474","","","","","","0.998","","","","has coordinates,has disorder","179532","2020-10-21","18:00:00",""
"4500194","12.692","0.008","8.213","0.004","11.99","0.006","90","","118.75","0.02","90","","1095.8","1.1","200","","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","[Ag2(A)]","","- C12 H8 Ag2 N4 -","- C12 H8 Ag2 N4 -","- C48 H32 Ag8 N16 -","4","0.5","","Chen, Shui-Sheng; Lv, Gao-Chao; Fan, Jian; Okamura, Taka-aki; Chen, Min; Sun, Wei-Yin","Entangled Coordination Frameworks with 1,4-Di(1H-imidazol-4-yl)benzene","Crystal Growth & Design","2011","11","4","1082","","10.1021/cg1012439","","","0.71075","MoKα","","0.0221","0.021","","","0.0525","0.053","","","","","","1.104","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500195","15.616","0.0012","17.365","0.0013","19.962","0.0015","75.813","0.001","89.468","0.0009","76.036","0.0009","5085.8","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H70 Ag7 N20 O63 P2 W18 -","- C50 H70 Ag7 N20 O63 P2 W18 -","- C100 H140 Ag14 N40 O126 P4 W36 -","2","1","","Zhang, Peng-peng; Peng, Jun; Pang, Hai-jun; Sha, Jing-quan; Zhu, Min; Wang, Dan-dan; Liu, Ming-guan; Su, Zhong-min","An Interpenetrating Architecture Based on the Wells‒Dawson Polyoxometalate and AgI···AgIInteractions","Crystal Growth & Design","2011","11","7","2736","","10.1021/cg1012445","","","0.71069","MoKα","","0.0595","0.0442","","","0.1325","0.1512","","","","","","0.993","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500196","29.084","0.005","18.553","0.005","20.463","0.005","90","0.005","107.775","0.005","90","0.005","10515","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C58 H44 N8 O10 Zn2 -","- C58 H44 N8 O10 Zn2 -","- C464 H352 N64 O80 Zn16 -","8","1","","Bhattacharya, Saurav; Sanyal, Udishnu; Natarajan, Srinivasan","Liquid−Liquid Interphase (Biphasic) as the Reaction Medium in the Assembly of a Hierarchy of Structures of 4,4′-Azodibenzoic Acid with Zinc and Cadmium","Crystal Growth & Design","2011","11","3","735","","10.1021/cg101251a","","","0.71073","MoKα","","0.0794","0.0534","","","0.1476","0.1572","","","","","","1.087","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500197","11.715","0.002","16.47","0.003","12.837","0.003","90","","107.714","0.003","90","","2359.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 N4 O4 Zn -","- C26 H16 N4 O4 Zn -","- C104 H64 N16 O16 Zn4 -","4","1","","Bhattacharya, Saurav; Sanyal, Udishnu; Natarajan, Srinivasan","Liquid−Liquid Interphase (Biphasic) as the Reaction Medium in the Assembly of a Hierarchy of Structures of 4,4′-Azodibenzoic Acid with Zinc and Cadmium","Crystal Growth & Design","2011","11","3","735","","10.1021/cg101251a","","","0.71073","MoKα","","0.0771","0.0445","","","0.0981","0.1112","","","","","","1.021","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500198","16.722","0.005","6.451","0.005","25.122","0.005","90","0.005","104.131","0.005","90","0.005","2628","2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 Cd N4 O6 -","- C26 H16 Cd N4 O6 -","- C104 H64 Cd4 N16 O24 -","4","1","","Bhattacharya, Saurav; Sanyal, Udishnu; Natarajan, Srinivasan","Liquid−Liquid Interphase (Biphasic) as the Reaction Medium in the Assembly of a Hierarchy of Structures of 4,4′-Azodibenzoic Acid with Zinc and Cadmium","Crystal Growth & Design","2011","11","3","735","","10.1021/cg101251a","","","0.71073","MoKα","","0.065","0.0559","","","0.1495","0.1554","","","","","","1.05","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500199","24.175","0.006","11.436","0.003","18.386","0.005","90","","101.507","0.004","90","","4981","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H20 N5 O4 Zn -","- C29 H20 N5 O4 Zn -","- C232 H160 N40 O32 Zn8 -","8","1","","Bhattacharya, Saurav; Sanyal, Udishnu; Natarajan, Srinivasan","Liquid−Liquid Interphase (Biphasic) as the Reaction Medium in the Assembly of a Hierarchy of Structures of 4,4′-Azodibenzoic Acid with Zinc and Cadmium","Crystal Growth & Design","2011","11","3","735","","10.1021/cg101251a","","","0.71073","MoKα","","0.0845","0.0575","","","0.1018","0.1107","","","","","","1.114","","","","has coordinates","179532","2020-10-21","18:00:00",""
"4500200","14.8013","0.0013","6.3249","0.0005","28.897","0.002","90","","93.569","0.001","90","","2700","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Cd N2 O5 -","- C14 H10 Cd N2 O5 -","- C112 H80 Cd8 N16 O40 -","8","1","","Bhattacharya, Saurav; Sanyal, Udishnu; Natarajan, Srinivasan","Liquid−Liquid Interphase (Biphasic) as the Reaction Medium in the Assembly of a Hierarchy of Structures of 4,4′-Azodibenzoic Acid with Zinc and Cadmium","Crystal Growth & Design","2011","11","3","735","","10.1021/cg101251a","","","0.71073","MoKα","","0.0629","0.0561","","","0.1385","0.1439","","","","","","1.098","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500201","33.9988","0.001","5.6638","0.0001","16.5382","0.0005","90","","101.437","0.003","90","","3121.4","0.15","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H21 N4 O14 Zn5 -","- C28 H21 N4 O14 Zn5 -","- C112 H84 N16 O56 Zn20 -","4","0.5","","Bhattacharya, Saurav; Sanyal, Udishnu; Natarajan, Srinivasan","Liquid−Liquid Interphase (Biphasic) as the Reaction Medium in the Assembly of a Hierarchy of Structures of 4,4′-Azodibenzoic Acid with Zinc and Cadmium","Crystal Growth & Design","2011","11","3","735","","10.1021/cg101251a","","","0.71073","MoKα","","0.0644","0.0443","","","0.1174","0.1219","","","","","","1.115","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500202","13.001","0.003","26.347","0.006","13.131","0.003","90","","117.311","0.004","90","","3996.5","1.6","291","2","291","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H22 F6 N4 O4 Zn -","- C31 H22 F6 N4 O4 Zn -","- C124 H88 F24 N16 O16 Zn4 -","4","1","","Ji, Chang-Chun; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Effect of Different Imidazole Ancillary Ligands on Supramolecular Architectures of a Series of Zn(II) and Cd(II) Complexes with a Bent Dicarboxylate Ligand","Crystal Growth & Design","2011","11","2","480","","10.1021/cg101261f","","","0.71073","MoKα","","0.0793","0.0437","","","0.0894","0.0997","","","","","","1.069","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500203","7.4302","0.0009","25.077","0.003","13.2325","0.0016","90","","102.193","0.002","90","","2410","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H15 Cd F6 N2 O4 -","- C24 H15 Cd F6 N2 O4 -","- C96 H60 Cd4 F24 N8 O16 -","4","1","","Ji, Chang-Chun; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Effect of Different Imidazole Ancillary Ligands on Supramolecular Architectures of a Series of Zn(II) and Cd(II) Complexes with a Bent Dicarboxylate Ligand","Crystal Growth & Design","2011","11","2","480","","10.1021/cg101261f","","","0.71073","MoKα","","0.0722","0.0492","","","0.1473","0.1584","","","","","","1","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500204","14.253","0.002","29.965","0.005","18.34","0.003","90","","112.87","","90","","7217","2","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C77 H59 F12 N9 O9 Zn2 -","- C77 H59 F12 N9 O9 Zn2 -","- C308 H236 F48 N36 O36 Zn8 -","4","1","","Ji, Chang-Chun; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Effect of Different Imidazole Ancillary Ligands on Supramolecular Architectures of a Series of Zn(II) and Cd(II) Complexes with a Bent Dicarboxylate Ligand","Crystal Growth & Design","2011","11","2","480","","10.1021/cg101261f","","","0.71073","MoKα","","0.0967","0.0558","","","0.113","0.1222","","","","","","1.037","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500205","23.685","0.003","14.647","0.002","29.08","0.004","90","","101.867","0.002","90","","9873","2","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H30 F6 N4 O4 Zn -","- C45 H30 F6 N4 O4 Zn -","- C360 H240 F48 N32 O32 Zn8 -","8","1","","Ji, Chang-Chun; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Effect of Different Imidazole Ancillary Ligands on Supramolecular Architectures of a Series of Zn(II) and Cd(II) Complexes with a Bent Dicarboxylate Ligand","Crystal Growth & Design","2011","11","2","480","","10.1021/cg101261f","","","0.71073","MoKα","","0.0662","0.0493","","","0.1315","0.1363","","","","","","1.048","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500206","13.9275","0.0015","16.4116","0.0017","17.7029","0.0019","110.472","0.002","96.531","0.002","109.872","0.002","3438.6","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C152 H104 Cd4 F24 N12 O19 -","- C152 H104 Cd4 F24 N12 O19 -","- C152 H104 Cd4 F24 N12 O19 -","1","0.5","","Ji, Chang-Chun; Qin, Ling; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Effect of Different Imidazole Ancillary Ligands on Supramolecular Architectures of a Series of Zn(II) and Cd(II) Complexes with a Bent Dicarboxylate Ligand","Crystal Growth & Design","2011","11","2","480","","10.1021/cg101261f","","","0.71073","MoKα","","0.0695","0.0435","","","0.0712","0.0744","","","","","","1.001","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500207","12.4893","0.0011","10.3565","0.0009","12.0625","0.0011","90","","115.579","0.001","90","","1407.3","0.2","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Fe I N2 -","- C14 H15 Fe I N2 -","- C56 H60 Fe4 I4 N8 -","4","1","","Mochida, Tomoyuki; Miura, Yuji; Shimizu, Fumiko","Assembled Structures and Cation−Anion Interactions in Crystals of Alkylimidazolium and Alkyltriazolium Iodides with Ferrocenyl Substituents","Crystal Growth & Design","2011","11","1","262","","10.1021/cg101264h","","","0.71073","MoKα","","0.0205","0.0172","","","0.041","0.0426","","","","","","1.053","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500208","9.4333","0.0009","7.3718","0.0007","24.192","0.002","90","","96.023","0.001","90","","1673","0.3","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Fe I N3 -","- C16 H20 Fe I N3 -","- C64 H80 Fe4 I4 N12 -","4","1","","Mochida, Tomoyuki; Miura, Yuji; Shimizu, Fumiko","Assembled Structures and Cation−Anion Interactions in Crystals of Alkylimidazolium and Alkyltriazolium Iodides with Ferrocenyl Substituents","Crystal Growth & Design","2011","11","1","262","","10.1021/cg101264h","","","0.71073","MoKα","","0.0259","0.0223","","","0.0556","0.0574","","","","","","1.172","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500209","36.863","0.002","5.8375","0.0003","13.9186","0.0008","90","","97.828","0.001","90","","2967.2","0.3","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 Fe I N2 -","- C15 H17 Fe I N2 -","- C120 H136 Fe8 I8 N16 -","8","1","","Mochida, Tomoyuki; Miura, Yuji; Shimizu, Fumiko","Assembled Structures and Cation−Anion Interactions in Crystals of Alkylimidazolium and Alkyltriazolium Iodides with Ferrocenyl Substituents","Crystal Growth & Design","2011","11","1","262","","10.1021/cg101264h","","","0.71073","MoKα","","0.0358","0.026","","","0.0597","0.0762","","","","","","1.087","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500210","17.167","0.004","7.3457","0.0015","16.854","0.004","90","","116.777","0.002","90","","1897.4","0.7","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Fe I N2 O -","- C20 H19 Fe I N2 O -","- C80 H76 Fe4 I4 N8 O4 -","4","1","","Mochida, Tomoyuki; Miura, Yuji; Shimizu, Fumiko","Assembled Structures and Cation−Anion Interactions in Crystals of Alkylimidazolium and Alkyltriazolium Iodides with Ferrocenyl Substituents","Crystal Growth & Design","2011","11","1","262","","10.1021/cg101264h","","","0.71073","MoKα","","0.0591","0.0512","","","0.1176","0.1207","","","","","","1.197","","","","has coordinates,has disorder","179533","2020-10-21","18:00:00",""
"4500211","15.0403","0.0014","15.055","0.0014","18.998","0.0018","90","","90.773","0.002","90","","4301.4","0.7","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H25 Fe I N2 -","- C23 H25 Fe I N2 -","- C184 H200 Fe8 I8 N16 -","8","1","","Mochida, Tomoyuki; Miura, Yuji; Shimizu, Fumiko","Assembled Structures and Cation−Anion Interactions in Crystals of Alkylimidazolium and Alkyltriazolium Iodides with Ferrocenyl Substituents","Crystal Growth & Design","2011","11","1","262","","10.1021/cg101264h","","","0.71073","MoKα","","0.0792","0.0613","","","0.1938","0.2034","","","","","","1.026","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500212","15.4138","0.0015","13.9173","0.0011","9.6697","0.0008","90","","97.185","0.005","90","","2058","0.3","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Fe I N3 -","- C22 H24 Fe I N3 -","- C88 H96 Fe4 I4 N12 -","4","1","","Mochida, Tomoyuki; Miura, Yuji; Shimizu, Fumiko","Assembled Structures and Cation−Anion Interactions in Crystals of Alkylimidazolium and Alkyltriazolium Iodides with Ferrocenyl Substituents","Crystal Growth & Design","2011","11","1","262","","10.1021/cg101264h","","","0.71073","MoKα","","0.1142","0.113","","","0.3168","0.3174","","","","","","2.067","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500213","10.3373","0.0007","7.6643","0.0005","26.9445","0.0019","90","","90","","90","","2134.8","0.3","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H12 Fe N2 -","- C13 H12 Fe N2 -","- C104 H96 Fe8 N16 -","8","1","","Mochida, Tomoyuki; Miura, Yuji; Shimizu, Fumiko","Assembled Structures and Cation−Anion Interactions in Crystals of Alkylimidazolium and Alkyltriazolium Iodides with Ferrocenyl Substituents","Crystal Growth & Design","2011","11","1","262","","10.1021/cg101264h","","","0.71073","MoKα","","0.026","0.0221","","","0.056","0.0588","","","","","","1.062","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500214","15.0084","0.0012","7.7066","0.0006","12.8364","0.001","90","","104.69","0.001","90","","1436.2","0.2","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 Fe N2 -","- C19 H16 Fe N2 -","- C76 H64 Fe4 N8 -","4","1","","Mochida, Tomoyuki; Miura, Yuji; Shimizu, Fumiko","Assembled Structures and Cation−Anion Interactions in Crystals of Alkylimidazolium and Alkyltriazolium Iodides with Ferrocenyl Substituents","Crystal Growth & Design","2011","11","1","262","","10.1021/cg101264h","","","0.71073","MoKα","","0.0576","0.0408","","","0.0955","0.1032","","","","","","1.039","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500215","11.8","0.002","4.911","0.001","8.846","0.0018","90","","91.41","0.03","90","","512.47","0.17","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Lithium butyrate","Lithium butanoate","","- C4 H7 Li O2 -","- C4 H7 Li O2 -","- C16 H28 Li4 O8 -","4","1","","Casado, F. J. Martínez; Riesco, M. Ramos; Silva, I. da; Yélamos, M. I. Redondo; Labrador, A.; Cheda, J. A. Rodríguez","Lithium and Lead(II) Butyrates Binary System. Pure Compounds and an Intermediate Salt: From 2D to 3D Coordination Polymers","Crystal Growth & Design","2011","11","3","759","","10.1021/cg101272n","","","0.7514","Synchrotron","","0.0884","0.075","","","0.2006","0.2201","","","","","","1.045","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500216","12.153","0.002","4.928","0.001","8.905","0.0018","90","","91.58","0.03","90","","533.12","0.18","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Lithium butyrate","Lithium butanoate","","- C4 H7 Li O2 -","- C4 H7 Li O2 -","- C16 H28 Li4 O8 -","4","1","","Casado, F. J. Martínez; Riesco, M. Ramos; Silva, I. da; Yélamos, M. I. Redondo; Labrador, A.; Cheda, J. A. Rodríguez","Lithium and Lead(II) Butyrates Binary System. Pure Compounds and an Intermediate Salt: From 2D to 3D Coordination Polymers","Crystal Growth & Design","2011","11","3","759","","10.1021/cg101272n","","","0.7513","Synchrotron","","0.0805","0.065","","","0.1862","0.207","","","","","","1.112","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500217","15.56795","0.00016","7.26249","0.00005","4.80093","0.00004","90","","96.9765","0.0007","90","","538.784","0.008","298","","298","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","Lead(II) butyrate","Lead(II) butanoate","","- C8 H14 O4 Pb -","- C8 H14 O4 Pb -","- C16 H28 O8 Pb2 -","2","0.5","","Casado, F. J. Martínez; Riesco, M. Ramos; Silva, I. da; Yélamos, M. I. Redondo; Labrador, A.; Cheda, J. A. Rodríguez","Lithium and Lead(II) Butyrates Binary System. Pure Compounds and an Intermediate Salt: From 2D to 3D Coordination Polymers","Crystal Growth & Design","2011","11","3","759","","10.1021/cg101272n","powder diffraction","","0.8266","","","","","","","","","","4.7202","1.86","","","","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500218","18.052","0.003","18.052","0.003","19.523","0.004","90","","90","","90","","6362","2","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","Lithium and Lead(II) Butanoate","Lithium and Lead(II) Tributanoate","","- C12 H21 Li O6 Pb -","- C12 H21 Li O6 Pb -","- C192 H336 Li16 O96 Pb16 -","16","1","","Casado, F. J. Martínez; Riesco, M. Ramos; Silva, I. da; Yélamos, M. I. Redondo; Labrador, A.; Cheda, J. A. Rodríguez","Lithium and Lead(II) Butyrates Binary System. Pure Compounds and an Intermediate Salt: From 2D to 3D Coordination Polymers","Crystal Growth & Design","2011","11","3","759","","10.1021/cg101272n","","","0.7379","Synchrotron","","0.0864","0.0731","","","0.1949","0.2133","","","","","","1.061","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500219","18.417","0.003","18.417","0.003","19.88","0.004","90","","90","","90","","6743","2","298","2","298","2","","","","","","","","5","I 41/a :2","-I 4ad","88","Lithium and Lead(II) Butanoate","Lithium and Lead(II) Tributanoate","","- C12 H21 Li O6 Pb -","- C12 H21 Li O6 Pb -","- C192 H336 Li16 O96 Pb16 -","16","1","","Casado, F. J. Martínez; Riesco, M. Ramos; Silva, I. da; Yélamos, M. I. Redondo; Labrador, A.; Cheda, J. A. Rodríguez","Lithium and Lead(II) Butyrates Binary System. Pure Compounds and an Intermediate Salt: From 2D to 3D Coordination Polymers","Crystal Growth & Design","2011","11","3","759","","10.1021/cg101272n","","","0.7513","Synchrotron","","0.0405","0.0376","","","0.0991","0.1021","","","","","","1.092","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500220","7.0692","0.0004","8.0877","0.0004","20.819","0.001","90.126","0.003","94.01","0.003","98.789","0.003","1173.34","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H22 N6 O12 -","- C21 H20 N6 O12 -","- C42 H40 N12 O24 -","2","1","","Das, Babulal; Baruah, Jubaraj B.","Water Bridged Assembly and Dimer Formation in Co-Crystals of Caffeine or Theophylline with Polycarboxylic Acids","Crystal Growth & Design","2011","11","1","278","286","10.1021/cg1012846","","","0.71073","MoKα","","0.0564","0.049","","","0.1565","0.1635","","","","","","1.172","","","","has coordinates","211065","2020-10-21","18:00:00",""
"4500221","8.1862","0.0005","9.7027","0.0005","20.4351","0.0011","97.385","0.004","95.162","0.003","107.772","0.003","1518.43","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N6 O7 -","- C12 H14 N6 O7 -","- C48 H56 N24 O28 -","4","2","","Das, Babulal; Baruah, Jubaraj B.","Water Bridged Assembly and Dimer Formation in Co-Crystals of Caffeine or Theophylline with Polycarboxylic Acids","Crystal Growth & Design","2011","11","1","278","286","10.1021/cg1012846","","","0.71073","MoKα","","0.0746","0.0453","","","0.1159","0.1418","","","","","","0.819","","","","has coordinates","211065","2020-10-21","18:00:00",""
"4500222","7.0067","0.0003","8.5496","0.0004","14.864","0.0007","81.218","0.002","76.958","0.002","76.769","0.002","839.62","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 N5 O7 -","- C15 H17 N5 O7 -","- C30 H34 N10 O14 -","2","1","","Das, Babulal; Baruah, Jubaraj B.","Water Bridged Assembly and Dimer Formation in Co-Crystals of Caffeine or Theophylline with Polycarboxylic Acids","Crystal Growth & Design","2011","11","1","278","286","10.1021/cg1012846","","","0.71073","MoKα","","0.0743","0.0421","","","0.1129","0.1279","","","","","","0.947","","","","has coordinates","211065","2020-10-21","18:00:00",""
"4500223","7.5311","0.0007","7.8947","0.0006","14.2199","0.0012","78.166","0.006","75.128","0.006","66.75","0.006","745.63","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N6 O6 -","- C13 H14 N6 O6 -","- C26 H28 N12 O12 -","2","1","","Das, Babulal; Baruah, Jubaraj B.","Water Bridged Assembly and Dimer Formation in Co-Crystals of Caffeine or Theophylline with Polycarboxylic Acids","Crystal Growth & Design","2011","11","1","278","286","10.1021/cg1012846","","","0.71073","MoKα","","0.062","0.0407","","","0.0937","0.1007","","","","","","0.953","","","","has coordinates","211065","2020-10-21","18:00:00",""
"4500224","9.6071","0.0004","10.373","0.0004","15.3939","0.0007","76.39","0.003","81.941","0.003","66.586","0.003","1366.35","0.11","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H26 N8 O10 -","- C25 H26 N8 O10 -","- C50 H52 N16 O20 -","2","1","","Das, Babulal; Baruah, Jubaraj B.","Water Bridged Assembly and Dimer Formation in Co-Crystals of Caffeine or Theophylline with Polycarboxylic Acids","Crystal Growth & Design","2011","11","1","278","286","10.1021/cg1012846","","","0.71073","MoKα","","0.1018","0.072","","","0.2149","0.2461","","","","","","1.086","","","","has coordinates","211065","2020-10-21","18:00:00",""
"4500225","20.2347","0.0016","8.9073","0.0007","14.6957","0.0011","90","","95.062","0.001","90","","2638.4","0.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 Cl N2 Pd S -","- C13 H11 Cl N2 Pd S -","- C104 H88 Cl8 N16 Pd8 S8 -","8","1","","Singh, Amit; Ramanan, Arunachalam; Bandyopadhyay, Debkumar","Link between Isostructurality, Polymorphism, and Weak Interactions in Palladacycle Crystals: Chemical Insight","Crystal Growth & Design","2011","11","7","2743","","10.1021/cg101289s","","","0.71073","MoKα","","0.0315","0.0302","","","0.073","0.0735","","","","","","1.307","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500226","20.471","0.003","9.0564","0.0011","14.5722","0.0018","90","","94.027","0.002","90","","2694.9","0.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H11 Br N2 Pd S -","- C13 H11 Br N2 Pd S -","- C104 H88 Br8 N16 Pd8 S8 -","8","1","","Singh, Amit; Ramanan, Arunachalam; Bandyopadhyay, Debkumar","Link between Isostructurality, Polymorphism, and Weak Interactions in Palladacycle Crystals: Chemical Insight","Crystal Growth & Design","2011","11","7","2743","","10.1021/cg101289s","","","0.71073","MoKα","","0.0274","0.0247","","","0.0793","0.0807","","","","","","1.244","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500227","8.765","0.002","11.551","0.001","14.331","0.014","90","","106.951","0.017","90","","1387.9","1.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 I N2 Pd S -","- C13 H11 I N2 Pd S -","- C52 H44 I4 N8 Pd4 S4 -","4","1","","Singh, Amit; Ramanan, Arunachalam; Bandyopadhyay, Debkumar","Link between Isostructurality, Polymorphism, and Weak Interactions in Palladacycle Crystals: Chemical Insight","Crystal Growth & Design","2011","11","7","2743","","10.1021/cg101289s","","","0.71073","MoKα","","0.0584","0.052","","","0.1243","0.1391","","","","","","1.27","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500228","12.525","0.005","8.55","0.003","26.157","0.01","90","","90","","90","","2801.1","1.8","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H11 N3 O3 Pd S -","- C13 H11 N3 O3 Pd S -","- C104 H88 N24 O24 Pd8 S8 -","8","1","","Singh, Amit; Ramanan, Arunachalam; Bandyopadhyay, Debkumar","Link between Isostructurality, Polymorphism, and Weak Interactions in Palladacycle Crystals: Chemical Insight","Crystal Growth & Design","2011","11","7","2743","","10.1021/cg101289s","","","0.71073","MoKα","","0.1017","0.0929","","","0.1566","0.1602","","","","","","1.354","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500229","13.571","0.002","6.8775","0.0011","19.372","0.003","90","","100.397","0.003","90","","1778.4","0.5","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Cl N3 O4 Pd S -","- C15 H14 Cl N3 O4 Pd S -","- C60 H56 Cl4 N12 O16 Pd4 S4 -","4","1","","Singh, Amit; Ramanan, Arunachalam; Bandyopadhyay, Debkumar","Link between Isostructurality, Polymorphism, and Weak Interactions in Palladacycle Crystals: Chemical Insight","Crystal Growth & Design","2011","11","7","2743","","10.1021/cg101289s","","","0.71073","MoKα","","0.0968","0.0888","","","0.1647","0.1682","","","","","","1.28","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500230","7.369","0.003","8.716","0.004","10.981","0.005","105.397","0.007","92.893","0.007","95.948","0.007","674.1","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Cl2 N2 Pd S -","- C13 H10 Cl2 N2 Pd S -","- C26 H20 Cl4 N4 Pd2 S2 -","2","1","","Singh, Amit; Ramanan, Arunachalam; Bandyopadhyay, Debkumar","Link between Isostructurality, Polymorphism, and Weak Interactions in Palladacycle Crystals: Chemical Insight","Crystal Growth & Design","2011","11","7","2743","","10.1021/cg101289s","","","0.71073","MoKα","","0.0238","0.0235","","","0.0625","0.0627","","","","","","1.255","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500231","7.4604","0.0009","8.9195","0.001","11.2089","0.0013","106.434","0.002","93.494","0.003","96.418","0.002","707.56","0.14","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H10 Br Cl N2 Pd S -","- C13 H10 Br Cl N2 Pd S -","- C26 H20 Br2 Cl2 N4 Pd2 S2 -","2","1","","Singh, Amit; Ramanan, Arunachalam; Bandyopadhyay, Debkumar","Link between Isostructurality, Polymorphism, and Weak Interactions in Palladacycle Crystals: Chemical Insight","Crystal Growth & Design","2011","11","7","2743","","10.1021/cg101289s","","","0.71073","MoKα","","0.0348","0.0344","","","0.0896","0.0899","","","","","","1.212","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500232","7.506","0.002","10.282","0.001","19.63","0.03","90","","90","","90","","1515","2","298","2","298","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C13 H10 Cl I N2 Pd S -","- C13 H10 Cl I N2 Pd S -","- C52 H40 Cl4 I4 N8 Pd4 S4 -","4","1","","Singh, Amit; Ramanan, Arunachalam; Bandyopadhyay, Debkumar","Link between Isostructurality, Polymorphism, and Weak Interactions in Palladacycle Crystals: Chemical Insight","Crystal Growth & Design","2011","11","7","2743","","10.1021/cg101289s","","","0.71073","MoKα","","0.0447","0.0435","","","0.1094","0.1121","","","","","","1.175","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500233","7.398","0.01","8.812","0.012","11.091","0.015","105.26","0.02","93.73","0.02","97.35","0.02","688.1","1.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 Cl N2 Pd S -","- C14 H13 Cl N2 Pd S -","- C28 H26 Cl2 N4 Pd2 S2 -","2","1","","Singh, Amit; Ramanan, Arunachalam; Bandyopadhyay, Debkumar","Link between Isostructurality, Polymorphism, and Weak Interactions in Palladacycle Crystals: Chemical Insight","Crystal Growth & Design","2011","11","7","2743","","10.1021/cg101289s","","","0.71073","MoKα","","0.0354","0.035","","","0.1083","0.1102","","","","","","1.149","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500234","7.421","0.002","8.975","0.003","11.242","0.003","106.21","0.004","93.895","0.005","97.039","0.004","709.5","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 Br N2 Pd S -","- C14 H13 Br N2 Pd S -","- C28 H26 Br2 N4 Pd2 S2 -","2","1","","Singh, Amit; Ramanan, Arunachalam; Bandyopadhyay, Debkumar","Link between Isostructurality, Polymorphism, and Weak Interactions in Palladacycle Crystals: Chemical Insight","Crystal Growth & Design","2011","11","7","2743","","10.1021/cg101289s","","","0.71073","MoKα","","0.0283","0.0259","","","0.0674","0.0689","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500235","7.5061","0.0009","9.3051","0.0011","11.5247","0.0014","107.556","0.002","95.126","0.002","96.755","0.002","755.47","0.16","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H13 I N2 Pd S -","- C14 H13 I N2 Pd S -","- C28 H26 I2 N4 Pd2 S2 -","2","1","","Singh, Amit; Ramanan, Arunachalam; Bandyopadhyay, Debkumar","Link between Isostructurality, Polymorphism, and Weak Interactions in Palladacycle Crystals: Chemical Insight","Crystal Growth & Design","2011","11","7","2743","","10.1021/cg101289s","","","0.71073","MoKα","","0.033","0.0311","","","0.0756","0.0765","","","","","","1.325","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500236","18.605","0.003","11.0738","0.0015","15.988","0.002","90","","113.911","0.002","90","","3011.3","0.7","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Cl N2 Pd S -","- C15 H15 Cl N2 Pd S -","- C120 H120 Cl8 N16 Pd8 S8 -","8","2","","Singh, Amit; Ramanan, Arunachalam; Bandyopadhyay, Debkumar","Link between Isostructurality, Polymorphism, and Weak Interactions in Palladacycle Crystals: Chemical Insight","Crystal Growth & Design","2011","11","7","2743","","10.1021/cg101289s","","","0.71073","MoKα","","0.0625","0.0527","","","0.1355","0.1407","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500237","18.713","0.005","11.191","0.003","16.218","0.004","90","","114","0.004","90","","3102.7","1.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Br N2 Pd S -","- C15 H15 Br N2 Pd S -","- C120 H120 Br8 N16 Pd8 S8 -","8","2","","Singh, Amit; Ramanan, Arunachalam; Bandyopadhyay, Debkumar","Link between Isostructurality, Polymorphism, and Weak Interactions in Palladacycle Crystals: Chemical Insight","Crystal Growth & Design","2011","11","7","2743","","10.1021/cg101289s","","","0.71073","MoKα","","0.0462","0.0387","","","0.0845","0.0874","","","","","","1.114","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500238","21.27","0.02","11.464","0.004","16.749","0.005","90","","127.517","0.017","90","","3239","3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H15 I N2 Pd S -","- C15 H15 I N2 Pd S -","- C120 H120 I8 N16 Pd8 S8 -","8","1","","Singh, Amit; Ramanan, Arunachalam; Bandyopadhyay, Debkumar","Link between Isostructurality, Polymorphism, and Weak Interactions in Palladacycle Crystals: Chemical Insight","Crystal Growth & Design","2011","11","7","2743","","10.1021/cg101289s","","","0.71073","MoKα","","0.1002","0.0681","","","0.1296","0.1412","","","","","","1.06","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500239","22.3848","0.0017","22.3848","0.0017","3.7128","0.0003","90","","90","","90","","1860.4","0.3","100","","100","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C16 H4 Ag Cl4 N8 -","- C16 H4 Ag Cl4 N8 -","- C64 H16 Ag4 Cl16 N32 -","4","0.25","","Naito, Toshio; Kakizaki, Akihiro; Inabe, Tamotsu; Sakai, Riu; Nishibori, Eiji; Sawa, Hiroshi","Growth of Nanocrystals in a Single Crystal of Different Materials: A Way of Giving Function to Molecular Crystals","Crystal Growth & Design","2011","11","2","501","","10.1021/cg101295p","","","0.71073","MoKα","","0.0538","0.044","","0.0884","0.0859","0.0859","","","","","","0.9189","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500240","22.377","0.0011","22.377","0.0011","3.7289","0.0002","90","","90","","90","","1867.17","0.16","300","","300","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C16 H4 Ag Cl4 N8 -","- C16 H4 Ag Cl4 N8 -","- C64 H16 Ag4 Cl16 N32 -","4","0.25","","Naito, Toshio; Kakizaki, Akihiro; Inabe, Tamotsu; Sakai, Riu; Nishibori, Eiji; Sawa, Hiroshi","Growth of Nanocrystals in a Single Crystal of Different Materials: A Way of Giving Function to Molecular Crystals","Crystal Growth & Design","2011","11","2","501","","10.1021/cg101295p","","","0.71073","MoKα","","0.0505","0.0392","","0.0322","0.0319","0.0319","","","","","","1.6109","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500241","22.4002","0.0019","22.4002","0.0019","3.7333","0.0003","90","","90","","90","","1873.3","0.3","100","","100","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C16 H4 Ag Cl4 N8 -","- C16 H4 Ag Cl4 N8 -","- C64 H16 Ag4 Cl16 N32 -","4","0.25","","Naito, Toshio; Kakizaki, Akihiro; Inabe, Tamotsu; Sakai, Riu; Nishibori, Eiji; Sawa, Hiroshi","Growth of Nanocrystals in a Single Crystal of Different Materials: A Way of Giving Function to Molecular Crystals","Crystal Growth & Design","2011","11","2","501","","10.1021/cg101295p","","","0.71073","MoKα","","0.0711","0.0665","","0.072","0.0719","0.0719","","","","","","1.0788","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500242","27.2264","0.0019","13.8822","0.001","18.0322","0.0011","90","","123.734","0.001","90","","5667.9","0.7","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H78 Fe2 N20 Ni2 O5 -","- C42 H78 Fe2 N20 Ni2 O5 -","- C168 H312 Fe8 N80 Ni8 O20 -","4","0.5","","Zheng, Xiao-Dan; Hua, Yan-Long; Xiong, Ren-Gen; Ge, Jia-Zhen; Lu, Tong-Bu","Cyano-Bridged Homochiral Heterometallic Helical Complexes: Synthesis, Structures, Magnetic and Dielectric Properties","Crystal Growth & Design","2011","11","1","302","","10.1021/cg101314j","","","0.71073","MoKα","","0.0801","0.0559","","","0.1369","0.1535","","","","","","1.092","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500243","19.2199","0.0006","19.2199","0.0006","15.8463","0.0007","90","","90","","120","","5069.4","0.3","153","2","153","2","","","","","","","","6","P 61","P 61","169","","","","- C21 H40 Fe N10 Ni O3 -","- C21 H36 Fe N10 Ni O3 -","- C126 H216 Fe6 N60 Ni6 O18 -","6","1","","Zheng, Xiao-Dan; Hua, Yan-Long; Xiong, Ren-Gen; Ge, Jia-Zhen; Lu, Tong-Bu","Cyano-Bridged Homochiral Heterometallic Helical Complexes: Synthesis, Structures, Magnetic and Dielectric Properties","Crystal Growth & Design","2011","11","1","302","","10.1021/cg101314j","","","0.71073","MoKα","","0.0795","0.0461","","","0.0997","0.1286","","","","","","1.084","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500244","19.2182","0.0003","19.2182","0.0003","15.842","0.0004","90","","90","","120","","5067.18","0.17","153","2","153","2","","","","","","","","6","P 65","P 65","170","","","","- C21 H40 Fe N10 Ni O3 -","- C21 H36 Fe N10 Ni O3 -","- C126 H216 Fe6 N60 Ni6 O18 -","6","1","","Zheng, Xiao-Dan; Hua, Yan-Long; Xiong, Ren-Gen; Ge, Jia-Zhen; Lu, Tong-Bu","Cyano-Bridged Homochiral Heterometallic Helical Complexes: Synthesis, Structures, Magnetic and Dielectric Properties","Crystal Growth & Design","2011","11","1","302","","10.1021/cg101314j","","","0.71073","MoKα","","0.0486","0.0359","","","0.0748","0.0831","","","","","","1.062","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500245","10.2422","0.0006","10.2422","0.0006","23.343","0.0016","90","","90","","120","","2120.7","0.2","153","2","153","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C21 H38 Fe N10 Ni O2 -","- C21 H38 Fe N10 Ni O2 -","- C63 H114 Fe3 N30 Ni3 O6 -","3","0.5","","Zheng, Xiao-Dan; Hua, Yan-Long; Xiong, Ren-Gen; Ge, Jia-Zhen; Lu, Tong-Bu","Cyano-Bridged Homochiral Heterometallic Helical Complexes: Synthesis, Structures, Magnetic and Dielectric Properties","Crystal Growth & Design","2011","11","1","302","","10.1021/cg101314j","","","0.71073","MoKα","","0.1114","0.0469","","","0.0905","0.1298","","","","","","1.095","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500246","10.2272","0.0006","10.2272","0.0006","23.3035","0.0014","90","","90","","120","","2110.9","0.2","153","2","153","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C21 H38 Fe N10 Ni O2 -","- C21 H38 Fe N10 Ni O2 -","- C63 H114 Fe3 N30 Ni3 O6 -","3","0.5","","Zheng, Xiao-Dan; Hua, Yan-Long; Xiong, Ren-Gen; Ge, Jia-Zhen; Lu, Tong-Bu","Cyano-Bridged Homochiral Heterometallic Helical Complexes: Synthesis, Structures, Magnetic and Dielectric Properties","Crystal Growth & Design","2011","11","1","302","","10.1021/cg101314j","","","0.71073","MoKα","","0.0309","0.0279","","","0.0646","0.0659","","","","","","1.036","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500247","6.3217","0.0002","8.5303","0.0003","15.5713","0.0006","80.929","0.002","89.67","0.002","69.818","0.002","777.21","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H34 N4 O10 -","- C32 H34 N4 O10 -","- C32 H34 N4 O10 -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Structural Study on Solvates of Dopamine-Based Cyclic Imide Derivatives","Crystal Growth & Design","2011","11","3","768","","10.1021/cg101316u","","","0.71073","MoKα","","0.0532","0.0465","","","0.1318","0.1382","","","","","","1.068","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500248","9.4527","0.0005","9.474","0.0004","9.7186","0.0004","104.394","0.003","101.121","0.003","106.048","0.003","777.52","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N2 O10 S2 -","- C30 H32 N2 O10 S2 -","- C30 H32 N2 O10 S2 -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Structural Study on Solvates of Dopamine-Based Cyclic Imide Derivatives","Crystal Growth & Design","2011","11","3","768","","10.1021/cg101316u","","","0.71073","MoKα","","0.1029","0.0809","","","0.228","0.2534","","","","","","1.025","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500249","14.9497","0.0005","8.8863","0.0003","12.1128","0.0004","90","","98.096","0.002","90","","1593.12","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 N4 O8 -","- C36 H30 N4 O8 -","- C72 H60 N8 O16 -","2","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Structural Study on Solvates of Dopamine-Based Cyclic Imide Derivatives","Crystal Growth & Design","2011","11","3","768","","10.1021/cg101316u","","","0.71073","MoKα","","0.0603","0.04","","","0.0983","0.1074","","","","","","0.997","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500250","8.79","0.003","12.746","0.004","15.13","0.005","101.03","0.013","91.205","0.014","99.449","0.012","1638.8","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H62 N8 O8 -","- C80 H62 N8 O8 -","- C80 H62 N8 O8 -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Structural Study on Solvates of Dopamine-Based Cyclic Imide Derivatives","Crystal Growth & Design","2011","11","3","768","","10.1021/cg101316u","","","0.71073","MoKα","","0.1664","0.0585","","","0.1175","0.1475","","","","","","1.016","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500251","23.4842","0.0015","5.0207","0.0004","25.7292","0.0016","90","","115.859","0.004","90","","2729.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C128 H104 N8 O32 -","8","2","","Singh, Devendra; Baruah, Jubaraj B.","Structural Study on Solvates of Dopamine-Based Cyclic Imide Derivatives","Crystal Growth & Design","2011","11","3","768","","10.1021/cg101316u","","","0.71073","MoKα","","0.086","0.0452","","","0.1081","0.1324","","","","","","0.925","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500252","26.316","0.011","7.329","0.004","7.737","0.003","90","","90","","90","","1492.2","1.2","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H15 N O5 -","- C16 H15 N O5 -","- C64 H60 N4 O20 -","4","1","","Singh, Devendra; Baruah, Jubaraj B.","Structural Study on Solvates of Dopamine-Based Cyclic Imide Derivatives","Crystal Growth & Design","2011","11","3","768","","10.1021/cg101316u","","","0.71073","MoKα","","0.0529","0.0476","","","0.117","0.1207","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500253","8.665","0.0017","12.644","0.002","12.964","0.002","77.925","0.009","86.183","0.008","87.733","0.009","1385.4","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H27 N3 O4 -","- C34 H27 N3 O4 -","- C68 H54 N6 O8 -","2","1","","Singh, Devendra; Baruah, Jubaraj B.","Structural Study on Solvates of Dopamine-Based Cyclic Imide Derivatives","Crystal Growth & Design","2011","11","3","768","","10.1021/cg101316u","","","0.71073","MoKα","","0.0907","0.0673","","","0.1995","0.2204","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500254","12.824","0.003","16.867","0.003","17.66","0.004","90","","94.5","0.03","90","","3808.1","1.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H50 Cu N4 O13 -","- C34 H50 Cu N4 O13 -","- C136 H200 Cu4 N16 O52 -","4","1","","Luo, Geng-Geng; Xiong, Hong-Bo; Dai, Jing-Cao","Syntheses, Structural Characterization, and Properties of {[Cu(bpp)2(H2O)2](tp)·7H2O} and {[Cu(bpp)2(H2O)](ip)·7H2O} Complexes. New Examples of the Organic Anionic Template Effect on Induced Assembly of Water Clusters (bpp = 1,3-Bis(4-pyridyl)propane, tp = Terephthalate, ip = Isophthalate)†","Crystal Growth & Design","2011","11","2","507","","10.1021/cg1013208","","","0.71073","MoKα","","0.0442","0.0351","","","0.0869","0.0914","","","","","","1.059","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500255","10.439","0.002","16.863","0.003","11.302","0.002","90","","107.84","0.03","90","","1893.9","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H48 Cu N4 O12 -","- C34 H48 Cu N4 O12 -","- C68 H96 Cu2 N8 O24 -","2","1","","Luo, Geng-Geng; Xiong, Hong-Bo; Dai, Jing-Cao","Syntheses, Structural Characterization, and Properties of {[Cu(bpp)2(H2O)2](tp)·7H2O} and {[Cu(bpp)2(H2O)](ip)·7H2O} Complexes. New Examples of the Organic Anionic Template Effect on Induced Assembly of Water Clusters (bpp = 1,3-Bis(4-pyridyl)propane, tp = Terephthalate, ip = Isophthalate)†","Crystal Growth & Design","2011","11","2","507","","10.1021/cg1013208","","","0.71073","MoKα","","0.0957","0.0373","","","0.0708","0.1092","","","","","","1.126","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500256","17.5949","0.0003","17.5949","0.0003","22.5436","0.0013","90","","90","","120","","6044","0.4","293","2","293","2","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","","","","- C18 H36 Cu7 I7 N6 -","- C18 H36 Cu7 I7 N6 -","- C108 H216 Cu42 I42 N36 -","6","0.5","","Zhang, Ying; He, Xinwei; Zhang, Jian; Feng, Pingyun","CuI Cluster-Based Organic Frameworks with Unusual 4- and 5-Connected Topologies","Crystal Growth & Design","2011","11","1","29","","10.1021/cg101321u","","","0.71073","MoKα","","0.0356","0.0303","","","0.073","0.0754","","","","","","1.071","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500257","15.2229","0.0001","15.2229","0.0001","6.8862","0.0001","90","","90","","120","","1381.99","0.02","293","2","293","2","","","","","","","","5","P -3 m 1","-P 3 2""","164","","","","- C20 H36 Cu8 I6 N8 -","- C20.06 Cu8 I6 N8 -","- C20.06 Cu8 I6 N8 -","1","0.0833333","","Zhang, Ying; He, Xinwei; Zhang, Jian; Feng, Pingyun","CuI Cluster-Based Organic Frameworks with Unusual 4- and 5-Connected Topologies","Crystal Growth & Design","2011","11","1","29","","10.1021/cg101321u","","","0.71073","MoKα","","0.066","0.0467","","","0.1342","0.1441","","","","","","1.116","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500258","33.758","0.007","23.128","0.005","21.937","0.004","90","","124.48","0.03","90","","14119","7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C128 H124 Mn9 N32 O55 -","- C128 H84 Mn9 N32 O55 -","- C512 H336 Mn36 N128 O220 -","4","0.5","","Li, Baiyan; Yang, Fen; Li, Guanghua; Liu, Dan; Zhou, Qi; Shi, Zhan; Feng, Shouhua","Construction of Coordination Polymers Based on Bent 4-Amino-3,5-bis(3-carboxyphenyl)-1,2,4-triazole Ligand: Diverse Structural Topology and Photoluminescent and Magnetic Properties","Crystal Growth & Design","2011","11","5","1475","","10.1021/cg101335a","","","0.71073","MoKα","","0.093","0.0624","","","0.1422","0.1558","","","","","","1.06","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500259","11.135","0.002","11.234","0.002","21.495","0.004","96.09","0.03","94.38","0.03","92.4","0.03","2662.5","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H47 Mn3.5 N12 O21 -","- C48 H30 Mn3.5 N12 O21 -","- C96 H60 Mn7 N24 O42 -","2","1","","Li, Baiyan; Yang, Fen; Li, Guanghua; Liu, Dan; Zhou, Qi; Shi, Zhan; Feng, Shouhua","Construction of Coordination Polymers Based on Bent 4-Amino-3,5-bis(3-carboxyphenyl)-1,2,4-triazole Ligand: Diverse Structural Topology and Photoluminescent and Magnetic Properties","Crystal Growth & Design","2011","11","5","1475","","10.1021/cg101335a","","","0.71073","MoKα","","0.1422","0.1087","","","0.2714","0.2864","","","","","","1.059","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4500260","23.817","0.005","10.971","0.002","17.866","0.004","90","","127.26","0.03","90","","3715","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H12.75 Cu N4 O5.37 -","- C16 H11.25 Cu N4 O5.375 -","- C128 H90 Cu8 N32 O43 -","8","1","","Li, Baiyan; Yang, Fen; Li, Guanghua; Liu, Dan; Zhou, Qi; Shi, Zhan; Feng, Shouhua","Construction of Coordination Polymers Based on Bent 4-Amino-3,5-bis(3-carboxyphenyl)-1,2,4-triazole Ligand: Diverse Structural Topology and Photoluminescent and Magnetic Properties","Crystal Growth & Design","2011","11","5","1475","","10.1021/cg101335a","","","0.71073","MoKα","","0.0806","0.062","","","0.1594","0.1702","","","","","","1.063","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500261","15.241","0.003","9.853","0.002","15.122","0.003","90","","96.02","0.03","90","","2258.3","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19.5 H18.75 N5.25 O5 Zn -","- C19.5 H17.25 N5.25 O5 Zn -","- C78 H69 N21 O20 Zn4 -","4","1","","Li, Baiyan; Yang, Fen; Li, Guanghua; Liu, Dan; Zhou, Qi; Shi, Zhan; Feng, Shouhua","Construction of Coordination Polymers Based on Bent 4-Amino-3,5-bis(3-carboxyphenyl)-1,2,4-triazole Ligand: Diverse Structural Topology and Photoluminescent and Magnetic Properties","Crystal Growth & Design","2011","11","5","1475","","10.1021/cg101335a","","","0.71073","MoKα","","0.1741","0.0769","","","0.1927","0.2584","","","","","","1.007","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4500262","23.987","0.005","16.74","0.003","16.896","0.003","90","","95.55","0.03","90","","6753","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43.5 H32.5 N10.5 O9 Zn2 -","- C43.5 H27.5 N10.5 O9 Zn2 -","- C174 H110 N42 O36 Zn8 -","4","0.5","","Li, Baiyan; Yang, Fen; Li, Guanghua; Liu, Dan; Zhou, Qi; Shi, Zhan; Feng, Shouhua","Construction of Coordination Polymers Based on Bent 4-Amino-3,5-bis(3-carboxyphenyl)-1,2,4-triazole Ligand: Diverse Structural Topology and Photoluminescent and Magnetic Properties","Crystal Growth & Design","2011","11","5","1475","","10.1021/cg101335a","","","0.71073","MoKα","","0.0901","0.0623","","","0.1983","0.2173","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500263","15.656","0.003","19.749","0.004","16.405","0.003","90","","114.35","0.03","90","","4621.1","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H47.5 N12 O14.75 Zn2 -","- C42 H40 N12 O14.75 Zn2 -","- C168 H160 N48 O59 Zn8 -","4","1","","Li, Baiyan; Yang, Fen; Li, Guanghua; Liu, Dan; Zhou, Qi; Shi, Zhan; Feng, Shouhua","Construction of Coordination Polymers Based on Bent 4-Amino-3,5-bis(3-carboxyphenyl)-1,2,4-triazole Ligand: Diverse Structural Topology and Photoluminescent and Magnetic Properties","Crystal Growth & Design","2011","11","5","1475","","10.1021/cg101335a","","","0.71073","MoKα","","0.1057","0.0708","","","0.1723","0.1855","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500264","7.3126","0.0015","31.409","0.006","15.622","0.003","90","","93.06","0.03","90","","3583","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 Cd2 N8 O15.5 -","- C32 H35 Cd2 N8 O15.5 -","- C128 H140 Cd8 N32 O62 -","4","1","","Li, Baiyan; Yang, Fen; Li, Guanghua; Liu, Dan; Zhou, Qi; Shi, Zhan; Feng, Shouhua","Construction of Coordination Polymers Based on Bent 4-Amino-3,5-bis(3-carboxyphenyl)-1,2,4-triazole Ligand: Diverse Structural Topology and Photoluminescent and Magnetic Properties","Crystal Growth & Design","2011","11","5","1475","","10.1021/cg101335a","","","0.71073","MoKα","","0.0875","0.0615","","","0.1536","0.1648","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500265","8.6342","0.0017","22.139","0.004","12.024","0.002","90","","102.26","0.03","90","","2246","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22.5 Cd N4 O10.25 -","- C16 H22 Cd N4 O10.25 -","- C64 H88 Cd4 N16 O41 -","4","1","","Li, Baiyan; Yang, Fen; Li, Guanghua; Liu, Dan; Zhou, Qi; Shi, Zhan; Feng, Shouhua","Construction of Coordination Polymers Based on Bent 4-Amino-3,5-bis(3-carboxyphenyl)-1,2,4-triazole Ligand: Diverse Structural Topology and Photoluminescent and Magnetic Properties","Crystal Growth & Design","2011","11","5","1475","","10.1021/cg101335a","","","0.71073","MoKα","","0.0884","0.0627","","","0.182","0.2012","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500266","11.7859","0.0011","24.442","0.002","9.9888","0.0008","90","","110.577","0.005","90","","2693.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 Cd N6 O4 -","- C29 H24 Cd N6 O4 -","- C116 H96 Cd4 N24 O16 -","4","1","","Li, Baiyan; Yang, Fen; Li, Guanghua; Liu, Dan; Zhou, Qi; Shi, Zhan; Feng, Shouhua","Construction of Coordination Polymers Based on Bent 4-Amino-3,5-bis(3-carboxyphenyl)-1,2,4-triazole Ligand: Diverse Structural Topology and Photoluminescent and Magnetic Properties","Crystal Growth & Design","2011","11","5","1475","","10.1021/cg101335a","","","0.71073","MoKα","","0.0535","0.035","","","0.0828","0.0919","","","","","","1.054","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500267","24.878","0.005","13.989","0.003","14.758","0.003","90","","118.03","0.03","90","","4534","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H46 Cd2 N12 O14 -","- C42 H32 Cd2 N12 O14 -","- C168 H128 Cd8 N48 O56 -","4","0.5","","Li, Baiyan; Yang, Fen; Li, Guanghua; Liu, Dan; Zhou, Qi; Shi, Zhan; Feng, Shouhua","Construction of Coordination Polymers Based on Bent 4-Amino-3,5-bis(3-carboxyphenyl)-1,2,4-triazole Ligand: Diverse Structural Topology and Photoluminescent and Magnetic Properties","Crystal Growth & Design","2011","11","5","1475","","10.1021/cg101335a","","","0.71073","MoKα","","0.0342","0.0288","","","0.0782","0.0803","","","","","","1.08","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500268","7.8015","0.0006","8.4145","0.0007","14.759","0.0011","82.508","0.001","79.936","0.001","77.708","0.001","927.71","0.13","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Cl4 N8 O4 Zn2 -","- C36 H28 Cl4 N8 O4 Zn2 -","- C36 H28 Cl4 N8 O4 Zn2 -","1","0.5","","Adarsh, N. N.; Dastidar, Parthasarathi","A New Series of ZnIICoordination Polymer Based Metallogels Derived from Bis-pyridyl-bis-amide Ligands: A Crystal Engineering Approach","Crystal Growth & Design","2011","11","1","328","","10.1021/cg101342g","","","0.71073","MoKα","","0.031","0.027","","","0.0768","0.0794","","","","","","1.038","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500269","7.8225","0.0009","8.4218","0.0009","14.8851","0.0016","82.023","0.002","80.663","0.002","78.46","0.002","942.32","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 Br4 N8 O4 Zn2 -","- C36 H28 Br4 N8 O4 Zn2 -","- C36 H28 Br4 N8 O4 Zn2 -","1","0.5","","Adarsh, N. N.; Dastidar, Parthasarathi","A New Series of ZnIICoordination Polymer Based Metallogels Derived from Bis-pyridyl-bis-amide Ligands: A Crystal Engineering Approach","Crystal Growth & Design","2011","11","1","328","","10.1021/cg101342g","","","0.71073","MoKα","","0.0448","0.0334","","","0.0761","0.0807","","","","","","1.035","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500270","7.9309","0.0016","8.821","0.002","15.17","0.003","83.763","0.011","81.709","0.011","80.531","0.011","1031.9","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 I4 N8 O4 Zn2 -","- C36 H28 I4 N8 O4 Zn2 -","- C36 H28 I4 N8 O4 Zn2 -","1","0.5","","Adarsh, N. N.; Dastidar, Parthasarathi","A New Series of ZnIICoordination Polymer Based Metallogels Derived from Bis-pyridyl-bis-amide Ligands: A Crystal Engineering Approach","Crystal Growth & Design","2011","11","1","328","","10.1021/cg101342g","","","0.71073","MoKα","","0.0882","0.066","","","0.1812","0.2259","","","","","","1.058","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500271","16.352","0.004","7.805","0.002","17.651","0.005","90","","113.737","0.005","90","","2062.2","0.9","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl2 N4 O4 Zn -","- C18 H14 Cl2 N4 O4 Zn -","- C72 H56 Cl8 N16 O16 Zn4 -","4","1","","Adarsh, N. N.; Dastidar, Parthasarathi","A New Series of ZnIICoordination Polymer Based Metallogels Derived from Bis-pyridyl-bis-amide Ligands: A Crystal Engineering Approach","Crystal Growth & Design","2011","11","1","328","","10.1021/cg101342g","","","0.71073","MoKα","","0.1061","0.0971","","","0.2899","0.2935","","","","","","1.222","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500272","8.671","0.011","9.631","0.013","13.505","0.017","74.014","0.015","74.102","0.016","68.061","0.015","987","2","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H17 Cl2 N4 O3 Zn -","- C19 H14 Cl2 N4 O3 Zn -","- C38 H28 Cl4 N8 O6 Zn2 -","2","1","","Adarsh, N. N.; Dastidar, Parthasarathi","A New Series of ZnIICoordination Polymer Based Metallogels Derived from Bis-pyridyl-bis-amide Ligands: A Crystal Engineering Approach","Crystal Growth & Design","2011","11","1","328","","10.1021/cg101342g","","","0.71073","MoKα","","0.0995","0.0813","","","0.2237","0.239","","","","","","1.07","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500273","8.7547","0.0003","9.6918","0.0004","13.655","0.0005","73.332","0.001","74.563","0.001","67.67","0.001","1010.41","0.07","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H17 Br2 N4 O3 Zn -","- C19 H17 Br2 N4 O3 Zn -","- C38 H34 Br4 N8 O6 Zn2 -","2","1","","Adarsh, N. N.; Dastidar, Parthasarathi","A New Series of ZnIICoordination Polymer Based Metallogels Derived from Bis-pyridyl-bis-amide Ligands: A Crystal Engineering Approach","Crystal Growth & Design","2011","11","1","328","","10.1021/cg101342g","","","0.71073","MoKα","","0.043","0.0328","","","0.0785","0.0833","","","","","","1.048","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500274","10.0495","0.0002","11.0245","0.0004","18.1435","0.0004","81.327","0.007","78.6","0.005","79.416","0.006","1923.23","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H23 Eu3 N4 O26 S -","- C28 H23 Eu3 N4 O26 S -","- C56 H46 Eu6 N8 O52 S2 -","2","1","","Xu, Jing; Su, Weiping; Hong, Maochun","A Series of Lanthanide Secondary Building Units Based Metal−Organic Frameworks Constructed by Organic Pyridine-2,6-Dicarboxylate and Inorganic Sulfate","Crystal Growth & Design","2011","11","1","337","","10.1021/cg101343k","","","0.71073","MoKα","","0.0444","0.0364","","","0.092","0.0998","","","","","","1.113","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500275","10.6886","0.0005","16.4787","0.0007","12.4214","0.0006","90","","100.007","0.004","90","","2154.55","0.17","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Ce2 N2 O16 S -","- C14 H14 Ce2 N2 O16 S -","- C56 H56 Ce8 N8 O64 S4 -","4","1","","Xu, Jing; Su, Weiping; Hong, Maochun","A Series of Lanthanide Secondary Building Units Based Metal−Organic Frameworks Constructed by Organic Pyridine-2,6-Dicarboxylate and Inorganic Sulfate","Crystal Growth & Design","2011","11","1","337","","10.1021/cg101343k","","","0.71073","MoKα","","0.0579","0.0496","","","0.1391","0.1642","","","","","","1.223","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500276","10.6611","0.0009","16.4266","0.0011","12.4018","0.0008","90","","99.793","0.007","90","","2140.2","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O16 Pr2 S -","- C14 H14 N2 O16 Pr2 S -","- C56 H56 N8 O64 Pr8 S4 -","4","1","","Xu, Jing; Su, Weiping; Hong, Maochun","A Series of Lanthanide Secondary Building Units Based Metal−Organic Frameworks Constructed by Organic Pyridine-2,6-Dicarboxylate and Inorganic Sulfate","Crystal Growth & Design","2011","11","1","337","","10.1021/cg101343k","","","0.71073","MoKα","","0.0743","0.0684","","","0.1671","0.1777","","","","","","1.102","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500277","10.623","0.003","16.369","0.005","12.362","0.004","90","","99.655","0.006","90","","2119.2","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 Nd2 O16 S -","- C14 H14 N2 Nd2 O16 S -","- C56 H56 N8 Nd8 O64 S4 -","4","1","","Xu, Jing; Su, Weiping; Hong, Maochun","A Series of Lanthanide Secondary Building Units Based Metal−Organic Frameworks Constructed by Organic Pyridine-2,6-Dicarboxylate and Inorganic Sulfate","Crystal Growth & Design","2011","11","1","337","","10.1021/cg101343k","","","0.71073","MoKα","","0.0389","0.0324","","","0.0812","0.0952","","","","","","1.281","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500278","10.577","0.005","16.299","0.008","12.333","0.006","90","","99.566","0.01","90","","2096.6","1.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O16 S Sm2 -","- C14 H14 N2 O16 S Sm2 -","- C56 H56 N8 O64 S4 Sm8 -","4","1","","Xu, Jing; Su, Weiping; Hong, Maochun","A Series of Lanthanide Secondary Building Units Based Metal−Organic Frameworks Constructed by Organic Pyridine-2,6-Dicarboxylate and Inorganic Sulfate","Crystal Growth & Design","2011","11","1","337","","10.1021/cg101343k","","","0.71073","MoKα","","0.0517","0.0437","","","0.1146","0.1404","","","","","","1.199","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500279","10.701","0.007","10.737","0.007","27.233","0.017","95.068","0.008","101.078","0.005","103.937","0.009","2950","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H32 Ce5 N7 O35 S2 -","- C44 H32 Ce5 N7 O35 S2 -","- C88 H64 Ce10 N14 O70 S4 -","2","1","","Xu, Jing; Su, Weiping; Hong, Maochun","A Series of Lanthanide Secondary Building Units Based Metal−Organic Frameworks Constructed by Organic Pyridine-2,6-Dicarboxylate and Inorganic Sulfate","Crystal Growth & Design","2011","11","1","337","","10.1021/cg101343k","","","0.71073","MoKα","","0.1047","0.0757","","","0.1974","0.2287","","","","","","1.085","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500280","9.7665","0.0002","19.3844","0.0009","20.3345","0.0009","90","","90","","90","","3849.7","0.3","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H23 N O9 U -","- C16 H21 N O9 U -","- C128 H168 N8 O72 U8 -","8","1","","Thuéry, Pierre","Uranyl−Organic Assemblies with Acetate-Bearing Phenyl- and Cyclohexyl-Based Ligands","Crystal Growth & Design","2011","11","1","347","","10.1021/cg101344t","","","0.71073","MoKα","","0.0505","0.0416","","","0.0933","0.0961","","","","","","1.135","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500281","7.1987","0.0005","11.4136","0.0004","17.2888","0.0011","90","","101.806","0.003","90","","1390.45","0.14","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 O9 U -","- C10 H10 O9 U -","- C40 H40 O36 U4 -","4","1","","Thuéry, Pierre","Uranyl−Organic Assemblies with Acetate-Bearing Phenyl- and Cyclohexyl-Based Ligands","Crystal Growth & Design","2011","11","1","347","","10.1021/cg101344t","","","0.71073","MoKα","","0.0368","0.028","","","0.074","0.0764","","","","","","1.082","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500282","11.106","0.0004","13.2861","0.0005","15.3098","0.0005","77.361","0.002","84.741","0.003","71.863","0.002","2094.11","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H41 N2 O23.5 U2 -","- C36 H41 N2 O23.5 U2 -","- C72 H82 N4 O47 U4 -","2","1","","Thuéry, Pierre","Uranyl−Organic Assemblies with Acetate-Bearing Phenyl- and Cyclohexyl-Based Ligands","Crystal Growth & Design","2011","11","1","347","","10.1021/cg101344t","","","0.71073","MoKα","","0.0321","0.025","","","0.0556","0.0573","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500283","13.2377","0.0011","8.1731","0.0007","18.1071","0.0016","90","","91.195","0.006","90","","1958.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H26 N2 O13 U -","- C14 H26 N2 O13 U -","- C56 H104 N8 O52 U4 -","4","1","","Thuéry, Pierre","Uranyl−Organic Assemblies with Acetate-Bearing Phenyl- and Cyclohexyl-Based Ligands","Crystal Growth & Design","2011","11","1","347","","10.1021/cg101344t","","","0.71073","MoKα","","0.0633","0.0539","","","0.1197","0.1239","","","","","","1.137","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500284","18.0451","0.0018","15.0183","0.0008","18.8449","0.0016","90","","90","","90","","5107.1","0.7","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H25 N2 O12.5 U -","- C14 H22 N2 O12.5 U -","- C112 H176 N16 O100 U8 -","8","1","","Thuéry, Pierre","Uranyl−Organic Assemblies with Acetate-Bearing Phenyl- and Cyclohexyl-Based Ligands","Crystal Growth & Design","2011","11","1","347","","10.1021/cg101344t","","","0.71073","MoKα","","0.1021","0.0721","","","0.1858","0.1982","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500285","12.002","0.0009","12.6829","0.0005","27.185","0.002","90","","90","","90","","4138.1","0.5","150","2","150","2","","","","","","","","6","I 2 2 2","I 2 2","23","","","","- C14 H21 N2 Na O11 U -","- C14 H19 N2 Na1.00005 O11 U -","- C112 H152 N16 Na8.0004 O88 U8 -","8","1","","Thuéry, Pierre","Uranyl−Organic Assemblies with Acetate-Bearing Phenyl- and Cyclohexyl-Based Ligands","Crystal Growth & Design","2011","11","1","347","","10.1021/cg101344t","","","0.71073","MoKα","","0.0414","0.037","","","0.1014","0.1045","","","","","","1.037","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500286","10.719","0.007","17.883","0.005","8.208","0.003","90","","105.072","0.005","90","","1519.2","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 Cd I N4 O3 -","- C13 H11 Cd I N4 O3 -","- C52 H44 Cd4 I4 N16 O12 -","4","1","","Aijaz, Arshad; Sañudo, E. Carolina; Bharadwaj, Parimal K.","Construction of Coordination Polymers with a Bifurcating Ligand: Synthesis, Structure, Photoluminescence, and Magnetic Studies","Crystal Growth & Design","2011","11","4","1122","","10.1021/cg101351b","","","0.71069","MoKα","","0.0522","0.0357","","","0.0837","0.0966","","","","","","1.071","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500287","10.395","0.004","16.766","0.005","9.492","0.003","90","","102.088","0.004","90","","1617.6","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N4 O5 Zn -","- C15 H14 N4 O5 Zn -","- C60 H56 N16 O20 Zn4 -","4","1","","Aijaz, Arshad; Sañudo, E. Carolina; Bharadwaj, Parimal K.","Construction of Coordination Polymers with a Bifurcating Ligand: Synthesis, Structure, Photoluminescence, and Magnetic Studies","Crystal Growth & Design","2011","11","4","1122","","10.1021/cg101351b","","","0.71069","MoKα","","0.0508","0.0405","","","0.0981","0.1187","","","","","","1.154","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500288","11.818","0.005","7.566","0.004","16.475","0.004","90","0.006","93.607","0.005","90","0.003","1470.2","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N4 O4 Zn -","- C15 H12 N4 O4 Zn -","- C60 H48 N16 O16 Zn4 -","4","1","","Aijaz, Arshad; Sañudo, E. Carolina; Bharadwaj, Parimal K.","Construction of Coordination Polymers with a Bifurcating Ligand: Synthesis, Structure, Photoluminescence, and Magnetic Studies","Crystal Growth & Design","2011","11","4","1122","","10.1021/cg101351b","","","0.71069","MoKα","","0.0677","0.046","","","0.1193","0.1822","","","","","","1.201","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500289","12.392","0.005","13.697","0.006","7.612","0.006","90","","93.127","0.006","90","","1290.1","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 N5 O5 Zn -","- C13 H9 N5 O5 Zn -","- C52 H36 N20 O20 Zn4 -","4","0.5","","Aijaz, Arshad; Sañudo, E. Carolina; Bharadwaj, Parimal K.","Construction of Coordination Polymers with a Bifurcating Ligand: Synthesis, Structure, Photoluminescence, and Magnetic Studies","Crystal Growth & Design","2011","11","4","1122","","10.1021/cg101351b","","","0.71069","MoKα","","0.0391","0.0327","","","0.0794","0.0851","","","","","","1.119","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500290","6.673","0.004","14.874","0.003","12.472","0.004","90","","90","","90","","1237.9","0.9","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C13 H11 Cu N4 O3 -","- C13 H11 Cu N4 O3 -","- C52 H44 Cu4 N16 O12 -","4","1","","Aijaz, Arshad; Sañudo, E. Carolina; Bharadwaj, Parimal K.","Construction of Coordination Polymers with a Bifurcating Ligand: Synthesis, Structure, Photoluminescence, and Magnetic Studies","Crystal Growth & Design","2011","11","4","1122","","10.1021/cg101351b","","","0.71069","MoKα","","0.0918","0.0636","","","0.1669","0.237","","","","","","1.102","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500291","10.619","0.004","11.171","0.005","13.429","0.004","70.495","0.005","67.445","0.005","88.465","0.003","1377.3","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 N8 Ni O9 -","- C26 H28 N8 Ni O9 -","- C52 H56 N16 Ni2 O18 -","2","1","","Aijaz, Arshad; Sañudo, E. Carolina; Bharadwaj, Parimal K.","Construction of Coordination Polymers with a Bifurcating Ligand: Synthesis, Structure, Photoluminescence, and Magnetic Studies","Crystal Growth & Design","2011","11","4","1122","","10.1021/cg101351b","","","0.71069","MoKα","","0.0817","0.0547","","","0.1311","0.1746","","","","","","1.102","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500292","7.171","0.004","9.352","0.003","9.55","0.003","92.794","0.005","92.096","0.005","91.414","0.004","639","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Co N4 O4 -","- C13 H12 Co N4 O4 -","- C26 H24 Co2 N8 O8 -","2","1","","Aijaz, Arshad; Sañudo, E. Carolina; Bharadwaj, Parimal K.","Construction of Coordination Polymers with a Bifurcating Ligand: Synthesis, Structure, Photoluminescence, and Magnetic Studies","Crystal Growth & Design","2011","11","4","1122","","10.1021/cg101351b","","","0.71069","MoKα","","0.1319","0.1069","","","0.2748","0.3067","","","","","","1.091","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500293","14.423","0.003","13.523","0.003","14.776","0.004","90","","100.451","0.004","90","","2834.1","1.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N9 O8 Pb2 -","- C26 H19 N9 O8 Pb2 -","- C104 H76 N36 O32 Pb8 -","4","1","","Aijaz, Arshad; Sañudo, E. Carolina; Bharadwaj, Parimal K.","Construction of Coordination Polymers with a Bifurcating Ligand: Synthesis, Structure, Photoluminescence, and Magnetic Studies","Crystal Growth & Design","2011","11","4","1122","","10.1021/cg101351b","","","0.71069","MoKα","","0.0731","0.0441","","","0.1094","0.1546","","","","","","1.111","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500294","24.4141","0.0009","17.7598","0.0004","12.7352","0.0004","90","","116.051","0.004","90","","4960.8","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H50 Cl2 K2 N20 O13.5 -","- C40 H50 Cl2 K2 N20 O13.5 -","- C160 H200 Cl8 K8 N80 O54 -","4","0.5","","Lin, Jingxiang; Lü, Jian; Cao, Minna; Cao, Rong","Effects of Cocrystalline Subunits on the Supramolecular Chemistry of Me10Q[5]: From Simple Inorganic Anions to Cluster Anions","Crystal Growth & Design","2011","11","3","778","","10.1021/cg101355d","","","0.71073","MoKα","","0.0933","0.0661","","","0.202","0.2162","","","","","","1.099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500295","24.5971","0.0013","17.9071","0.0007","13.102","0.0007","90","","115.756","0.007","90","","5197.6","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H116 Cl4 K4 N40 O43 -","- C80 H116 Cl4 K4 N40 O43 -","- C160 H232 Cl8 K8 N80 O86 -","2","0.25","","Lin, Jingxiang; Lü, Jian; Cao, Minna; Cao, Rong","Effects of Cocrystalline Subunits on the Supramolecular Chemistry of Me10Q[5]: From Simple Inorganic Anions to Cluster Anions","Crystal Growth & Design","2011","11","3","778","","10.1021/cg101355d","","","0.71073","MoKα","","0.1134","0.0581","","","0.138","0.1558","","","","","","0.916","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500296","22.222","0.004","18.009","0.004","12.897","0.003","90","","97.08","0.03","90","","5122","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H50 K2 N22 O13 S2 -","- C42 H50 K2 N22 O11.5 S2 -","- C168 H200 K8 N88 O46 S8 -","4","1","","Lin, Jingxiang; Lü, Jian; Cao, Minna; Cao, Rong","Effects of Cocrystalline Subunits on the Supramolecular Chemistry of Me10Q[5]: From Simple Inorganic Anions to Cluster Anions","Crystal Growth & Design","2011","11","3","778","","10.1021/cg101355d","","","0.71073","MoKα","","0.1747","0.0882","","","0.2217","0.2663","","","","","","1.036","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500297","17.271","0.003","14.611","0.003","28.685","0.006","90","","101.7","0.004","90","","7088","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H62 K2 Mo8 N20 Na2 O42 -","- C40 H50 K2 Mo8 N20 Na2 O42 -","- C160 H200 K8 Mo32 N80 Na8 O168 -","4","0.5","","Lin, Jingxiang; Lü, Jian; Cao, Minna; Cao, Rong","Effects of Cocrystalline Subunits on the Supramolecular Chemistry of Me10Q[5]: From Simple Inorganic Anions to Cluster Anions","Crystal Growth & Design","2011","11","3","778","","10.1021/cg101355d","","","0.71073","MoKα","","0.0835","0.0692","","","0.2","0.2314","","","","","","1.168","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500298","17.323","0.004","14.597","0.003","28.741","0.007","90","","100.931","0.004","90","","7136","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H62 Mo8 N20 Na2 O42 Rb2 -","- C40 H50 Mo8 N20 Na2 O42 Rb2 -","- C160 H200 Mo32 N80 Na8 O168 Rb8 -","4","0.5","","Lin, Jingxiang; Lü, Jian; Cao, Minna; Cao, Rong","Effects of Cocrystalline Subunits on the Supramolecular Chemistry of Me10Q[5]: From Simple Inorganic Anions to Cluster Anions","Crystal Growth & Design","2011","11","3","778","","10.1021/cg101355d","","","0.71073","MoKα","","0.0736","0.0623","","","0.1581","0.1755","","","","","","1.164","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500299","33.015","0.004","12.0251","0.0016","25.366","0.003","90","","93.295","0.002","90","","10054","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H36 Cd3 N8 O13 -","- C54 H34 Cd3 N8 O13 -","- C432 H272 Cd24 N64 O104 -","8","1","","Su, Zhi; Fan, Jian; Chen, Min; Okamura, Taka-aki; Sun, Wei-Yin","Syntheses, Characterization, and Properties of Three-Dimensional Pillared Frameworks with Entanglement","Crystal Growth & Design","2011","11","4","1159","","10.1021/cg101365v","","","0.71073","MoKα","","0.0724","0.0502","","","0.1119","0.1256","","","","","","1.035","","","","has coordinates","179533","2020-10-21","18:00:00",""
"4500300","18.8457","0.0016","13.6944","0.0016","20.315","0.002","90","","90","","90","","5242.9","0.9","200","","200","","","","","","","","","5","P c a 21","P 2c -2ac","29","","[Co3(G1)2(DPA)2(OH2)2]-H2O","","- C54 H40 Co3 N8 O15 -","- C54 H34 Co3 N8 O15 -","- C216 H136 Co12 N32 O60 -","4","1","","Su, Zhi; Fan, Jian; Chen, Min; Okamura, Taka-aki; Sun, Wei-Yin","Syntheses, Characterization, and Properties of Three-Dimensional Pillared Frameworks with Entanglement","Crystal Growth & Design","2011","11","4","1159","","10.1021/cg101365v","","","0.71075","MoKα","","0.0781","0.0736","","","0.1869","0.1928","","","","","","1.062","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500301","6.011","0.0008","17.257","0.002","14.755","0.002","90","","90.591","0.003","90","","1530.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Cd N4 O4 -","- C17 H14 Cd N4 O4 -","- C68 H56 Cd4 N16 O16 -","4","1","","Su, Zhi; Fan, Jian; Chen, Min; Okamura, Taka-aki; Sun, Wei-Yin","Syntheses, Characterization, and Properties of Three-Dimensional Pillared Frameworks with Entanglement","Crystal Growth & Design","2011","11","4","1159","","10.1021/cg101365v","","","0.71073","MoKα","","0.0427","0.0333","","","0.0699","0.0723","","","","","","1.012","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500302","27.266","0.004","7.5708","0.0011","21.833","0.003","90","","126.51","0.005","90","","3622.4","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H15 Cd N4 O5 -","- C19 H15 Cd N4 O5 -","- C152 H120 Cd8 N32 O40 -","8","1","","Su, Zhi; Fan, Jian; Chen, Min; Okamura, Taka-aki; Sun, Wei-Yin","Syntheses, Characterization, and Properties of Three-Dimensional Pillared Frameworks with Entanglement","Crystal Growth & Design","2011","11","4","1159","","10.1021/cg101365v","","","0.71073","MoKα","","0.0432","0.0394","","","0.0942","0.0964","","","","","","0.936","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500303","10.3889","0.001","16.1517","0.0016","11.3055","0.0011","90","","99.822","0.002","90","","1869.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cd N4 O5 -","- C18 H11 Cd N4 O5 -","- C72 H44 Cd4 N16 O20 -","4","1","","Su, Zhi; Fan, Jian; Chen, Min; Okamura, Taka-aki; Sun, Wei-Yin","Syntheses, Characterization, and Properties of Three-Dimensional Pillared Frameworks with Entanglement","Crystal Growth & Design","2011","11","4","1159","","10.1021/cg101365v","","","0.71073","MoKα","","0.0388","0.0339","","","0.0842","0.0873","","","","","","1.034","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500304","10.3885","0.0011","16.1515","0.0016","11.3054","0.0011","90","","99.812","0.002","90","","1869.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Cd N4 O5 -","- C18 H9 Cd N4 O5 -","- C72 H36 Cd4 N16 O20 -","4","1","","Su, Zhi; Fan, Jian; Chen, Min; Okamura, Taka-aki; Sun, Wei-Yin","Syntheses, Characterization, and Properties of Three-Dimensional Pillared Frameworks with Entanglement","Crystal Growth & Design","2011","11","4","1159","","10.1021/cg101365v","","","0.71073","MoKα","","0.0634","0.0468","","","0.1114","0.118","","","","","","1.026","","","","has coordinates,has disorder","179534","2020-10-21","18:00:00",""
"4500305","5.3419","0.0005","9.5609","0.0008","23.528","0.003","90","","91.294","0.009","90","","1201.3","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","salicylic acid/benzamide co-crystal","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C56 H52 N4 O16 -","4","1","","Seaton, Colin C.; Parkin, Andrew","Making Benzamide Cocrystals with Benzoic Acids: The Influence of Chemical Structure.","Crystal Growth & Design","2011","11","5","1502","","10.1021/cg101403j","","","0.71073","MoKα","","0.1166","0.0668","","","0.1411","0.1554","","","","","","0.936","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500306","16.2626","0.0011","6.8717","0.0004","11.98","0.0008","90","","107.429","0.007","90","","1277.32","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-nitrobenzoic acid/benzamide co-crystal","","- C14 H12 N2 O5 -","- C14 H12 N2 O5 -","- C56 H48 N8 O20 -","4","1","","Seaton, Colin C.; Parkin, Andrew","Making Benzamide Cocrystals with Benzoic Acids: The Influence of Chemical Structure.","Crystal Growth & Design","2011","11","5","1502","","10.1021/cg101403j","","","0.71073","MoKα","","0.0684","0.0423","","","0.1015","0.1095","","","","","","0.945","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500307","8.6105","0.0007","5.0229","0.0003","30.253","0.005","90","","98.77","0.01","90","","1293.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-hydroxy3-nitrobenzoic acid/benzamide co-crystal","","- C14 H12 N2 O6 -","- C14 H12 N2 O6 -","- C56 H48 N8 O24 -","4","1","","Seaton, Colin C.; Parkin, Andrew","Making Benzamide Cocrystals with Benzoic Acids: The Influence of Chemical Structure.","Crystal Growth & Design","2011","11","5","1502","","10.1021/cg101403j","","","0.71073","MoKα","","0.0601","0.0448","","","0.1033","0.1078","","","","","","1.05","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500308","8.4617","0.0018","10.738","0.002","16.049","0.003","90","","99.334","0.007","90","","1438.9","0.5","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N3 O7 -","- C14 H11 N3 O7 -","- C56 H44 N12 O28 -","4","1","","Seaton, Colin C.; Parkin, Andrew","Making Benzamide Cocrystals with Benzoic Acids: The Influence of Chemical Structure.","Crystal Growth & Design","2011","11","5","1502","","10.1021/cg101403j","","","0.71073","MoKα","","0.0529","0.0384","","0.098","0.0931","0.098","","","","","","0.9018","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500309","6.5876","0.0005","13.517","0.0008","8.0345","0.0005","90","","90","","90","","715.43","0.08","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","Phloroglucinol dihyrate","1, 3, 5-trihydroxybenzene dihydrate","","- C6 H10 O5 -","- C6 H10 O5 -","- C24 H40 O20 -","4","0.5","","Seaton, Colin C.; Parkin, Andrew","Making Benzamide Cocrystals with Benzoic Acids: The Influence of Chemical Structure.","Crystal Growth & Design","2011","11","5","1502","","10.1021/cg101403j","","","0.71073","MoKα","","0.0599","0.0463","","","0.1167","0.1215","","","","","","0.934","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500310","21.561","0.003","14.717","0.002","17.745","0.003","90","","90","","90","","5630.7","1.5","293","2","293","2","","","","","","","","6","C m c a","-C 2ac 2","64","","","","- C23 H15 Cu F6 N O4 -","- C23 H15 Cu F6 N O4 -","- C184 H120 Cu8 F48 N8 O32 -","8","","","Pachfule, Pradip; Das, Raja; Poddar, Pankaj; Banerjee, Rahul","Solvothermal Synthesis, Structure, and Properties of Metal Organic Framework Isomers Derived from a Partially Fluorinated Link","Crystal Growth & Design","2011","11","4","1215","","10.1021/cg101414x","","","0.71073","MoKα","","0.0529","0.066","","","0.141","0.1638","","","","","","1.067","","","","has coordinates,has disorder","179534","2020-10-21","18:00:00",""
"4500311","21.626","0.002","14.6622","0.0017","17.777","0.003","90","","90","","90","","5636.8","1.3","298","2","298","2","","","","","","","","6","C m c 21","C 2c -2","36","Zn-F-MOF-4A","","","- C29 H22 F5.92 N2 O4 Zn -","- C29 H22.5 F5.92 N2 O4 Zn -","- C232 H180 F47.36 N16 O32 Zn8 -","8","1","","Pachfule, Pradip; Das, Raja; Poddar, Pankaj; Banerjee, Rahul","Solvothermal Synthesis, Structure, and Properties of Metal Organic Framework Isomers Derived from a Partially Fluorinated Link","Crystal Growth & Design","2011","11","4","1215","","10.1021/cg101414x","","","0.71073","MoKα","","0.0967","0.0596","","","0.1345","0.1542","","","","","","0.949","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4500312","26.154","0.005","15.106","0.005","16.753","0.005","90","0.005","118.632","0.005","90","0.005","5809","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H34 Cd N7 O9 P -","- C21 H34 Cd N7 O9 P -","- C168 H272 Cd8 N56 O72 P8 -","8","1","","Chandrasekhar, Vadapalli; Senapati, Tapas; Dey, Atanu; Hossain, Sakiat; Gopal, Kandasamy","Carbophosphazene-Based Multisite Coordination Ligands: Metalation Studies on the Pyridyloxy Carbophosphazene, [NC(NMe2)]2[NP(p-OC5H4N)2]","Crystal Growth & Design","2011","11","5","1512","","10.1021/cg1014169","","","0.71069","MoKα","","0.0434","0.0373","","","0.0956","0.0997","","","","","","1.049","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500313","8.661","0.005","14.334","0.005","15.004","0.005","61.642","0.005","78.645","0.005","78.346","0.005","1594.3","1.2","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H29 Cd Cl3 N9 O10 P -","- C19 H29 Cd Cl3 N9 O10 P -","- C38 H58 Cd2 Cl6 N18 O20 P2 -","2","1","","Chandrasekhar, Vadapalli; Senapati, Tapas; Dey, Atanu; Hossain, Sakiat; Gopal, Kandasamy","Carbophosphazene-Based Multisite Coordination Ligands: Metalation Studies on the Pyridyloxy Carbophosphazene, [NC(NMe2)]2[NP(p-OC5H4N)2]","Crystal Growth & Design","2011","11","5","1512","","10.1021/cg1014169","","","0.71069","MoKα","","0.0839","0.0668","","","0.182","0.2014","","","","","","1.019","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500314","9.413","0.005","14.99","0.005","15.112","0.005","116.842","0.005","97.929","0.005","94.084","0.005","1862.8","1.3","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H31 Cd Cl3 N11 O8 P -","- C27 H31 Cd Cl3 N11 O8 P -","- C54 H62 Cd2 Cl6 N22 O16 P2 -","2","1","","Chandrasekhar, Vadapalli; Senapati, Tapas; Dey, Atanu; Hossain, Sakiat; Gopal, Kandasamy","Carbophosphazene-Based Multisite Coordination Ligands: Metalation Studies on the Pyridyloxy Carbophosphazene, [NC(NMe2)]2[NP(p-OC5H4N)2]","Crystal Growth & Design","2011","11","5","1512","","10.1021/cg1014169","","","0.71069","MoKα","","0.0937","0.0772","","","0.2091","0.2309","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500315","9.507","0.003","11.992","0.004","12.418","0.004","66.833","0.005","68.149","0.005","88.919","0.006","1194.5","0.7","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H24 Cl2 N7 O3 P Zn -","- C17 H24 Cl2 N7 O3 P Zn -","- C34 H48 Cl4 N14 O6 P2 Zn2 -","2","1","","Chandrasekhar, Vadapalli; Senapati, Tapas; Dey, Atanu; Hossain, Sakiat; Gopal, Kandasamy","Carbophosphazene-Based Multisite Coordination Ligands: Metalation Studies on the Pyridyloxy Carbophosphazene, [NC(NMe2)]2[NP(p-OC5H4N)2]","Crystal Growth & Design","2011","11","5","1512","","10.1021/cg1014169","","","0.71073","MoKα","","0.0621","0.0501","","","0.1344","0.1446","","","","","","1.053","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500316","17.251","0.005","20.112","0.005","11.419","0.005","90","0.005","97.786","0.005","90","0.005","3925","2","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cl2 Mn N14 O4 P2 -","- C32 H40 Cl2 Mn N14 O4 P2 -","- C128 H160 Cl8 Mn4 N56 O16 P8 -","4","1","","Chandrasekhar, Vadapalli; Senapati, Tapas; Dey, Atanu; Hossain, Sakiat; Gopal, Kandasamy","Carbophosphazene-Based Multisite Coordination Ligands: Metalation Studies on the Pyridyloxy Carbophosphazene, [NC(NMe2)]2[NP(p-OC5H4N)2]","Crystal Growth & Design","2011","11","5","1512","","10.1021/cg1014169","","","0.71069","MoKα","","0.0853","0.0533","","","0.1194","0.1365","","","","","","0.986","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500317","17.462","0.007","20.228","0.009","11.371","0.005","90","","96.936","0.008","90","","3987","3","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cl2 Co N14 O4 P2 -","- C32 H40 Cl2 Co N14 O4 P2 -","- C128 H160 Cl8 Co4 N56 O16 P8 -","4","1","","Chandrasekhar, Vadapalli; Senapati, Tapas; Dey, Atanu; Hossain, Sakiat; Gopal, Kandasamy","Carbophosphazene-Based Multisite Coordination Ligands: Metalation Studies on the Pyridyloxy Carbophosphazene, [NC(NMe2)]2[NP(p-OC5H4N)2]","Crystal Growth & Design","2011","11","5","1512","","10.1021/cg1014169","","","0.71073","MoKα","","0.1391","0.0549","","","0.1132","0.1449","","","","","","0.907","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500318","8.136","0.002","11.986","0.002","21.178","0.004","90","","98.029","0.002","90","","2045","0.7","150","","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C26 H32 O2 -","- C26 H32 O2 -","- C104 H128 O8 -","4","0.5","","Tominaga, Masahide; Masu, Hyuma; Azumaya, Isao","Hydrogen-Bonding Networks of Adamantane-Based Bisphenol Molecules: Toward the Preparation of Molecular Crystals with Channels","Crystal Growth & Design","2011","11","2","542","","10.1021/cg101427k","","","0.71073","MoKα","","0.0504","0.0406","","","0.1049","0.112","","","","","","1.06","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500319","6.909","0.001","10.591","0.002","14.238","0.004","108.02","0.003","97.455","0.003","102.059","0.002","947.5","0.3","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 Br2 O2 -","- C22 H22 Br2 O2 -","- C44 H44 Br4 O4 -","2","1","","Tominaga, Masahide; Masu, Hyuma; Azumaya, Isao","Hydrogen-Bonding Networks of Adamantane-Based Bisphenol Molecules: Toward the Preparation of Molecular Crystals with Channels","Crystal Growth & Design","2011","11","2","542","","10.1021/cg101427k","","","0.71073","MoKα","","0.0429","0.0351","","","0.0959","0.0996","","","","","","1.074","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500320","26.384","0.002","6.4107","0.0005","27.2","0.003","90","","117.2","0.001","90","","4091.9","0.6","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22.5 H22.5 Cl3.5 O2 -","- C22.5 H22.5 Cl3.5 O2 -","- C180 H180 Cl28 O16 -","8","1","","Tominaga, Masahide; Masu, Hyuma; Azumaya, Isao","Hydrogen-Bonding Networks of Adamantane-Based Bisphenol Molecules: Toward the Preparation of Molecular Crystals with Channels","Crystal Growth & Design","2011","11","2","542","","10.1021/cg101427k","","","0.71073","MoKα","","0.0554","0.0405","","","0.0985","0.1087","","","","","","0.946","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500321","6.354","0.001","12.695","0.002","13.196","0.003","117.671","0.002","90.941","0.002","99.691","0.002","923.8","0.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C22.5 H24.5 Cl1.5 O2 -","- C22.5 H24.5 Cl1.5 O2 -","- C45 H49 Cl3 O4 -","2","1","","Tominaga, Masahide; Masu, Hyuma; Azumaya, Isao","Hydrogen-Bonding Networks of Adamantane-Based Bisphenol Molecules: Toward the Preparation of Molecular Crystals with Channels","Crystal Growth & Design","2011","11","2","542","","10.1021/cg101427k","","","0.71073","MoKα","","0.0521","0.0461","","","0.1219","0.1249","","","","","","1.824","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500322","9.5174","0.0003","12.5384","0.0003","16.3714","0.0004","80.008","0.001","81.419","0.001","69.005","0.001","1788.22","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 La N2 O12 -","- C36 H36 La N2 O12 -","- C72 H72 La2 N4 O24 -","2","1","","Sarma, Rupam; Deka, Himangshu; Boudalis, Athanassios K.; Baruah, Jubaraj B.","Coordination Polymers of Lanthanide(III): Toward Encapsulation of Well-Defined Assembly of Guest Molecules","Crystal Growth & Design","2011","11","2","547","","10.1021/cg101432k","","","0.71073","MoKα","","0.0227","0.0206","","","0.0534","0.0549","","","","","","1.084","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500323","12.8612","0.0012","10.2716","0.0009","28.254","0.002","90","","112.5","0.004","90","","3448.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 Ce N3 O11 -","- C34 H34 Ce N3 O11 -","- C136 H136 Ce4 N12 O44 -","4","1","","Sarma, Rupam; Deka, Himangshu; Boudalis, Athanassios K.; Baruah, Jubaraj B.","Coordination Polymers of Lanthanide(III): Toward Encapsulation of Well-Defined Assembly of Guest Molecules","Crystal Growth & Design","2011","11","2","547","","10.1021/cg101432k","","","0.71073","MoKα","","0.0433","0.0329","","","0.0916","0.0963","","","","","","1.076","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500324","12.9343","0.0007","8.2555","0.0004","24.1694","0.0013","90","","102.518","0.001","90","","2519.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N O8 Tb -","- C26 H21 N O8 Tb -","- C104 H84 N4 O32 Tb4 -","4","1","","Sarma, Rupam; Deka, Himangshu; Boudalis, Athanassios K.; Baruah, Jubaraj B.","Coordination Polymers of Lanthanide(III): Toward Encapsulation of Well-Defined Assembly of Guest Molecules","Crystal Growth & Design","2011","11","2","547","","10.1021/cg101432k","","","0.71073","MoKα","","0.0435","0.0366","","","0.0864","0.09","","","","","","0.964","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500325","10.139","","17.804","","20.01","","90","","90","","90","","3612.1","","296","2","296","2","","","","","","","","5","P n a a","-P 2ac 2bc","56","","","","- C38 H33 La N2 O12 -","- C38 H33 La N2 O12 -","- C152 H132 La4 N8 O48 -","4","0.5","","Sarma, Rupam; Deka, Himangshu; Boudalis, Athanassios K.; Baruah, Jubaraj B.","Coordination Polymers of Lanthanide(III): Toward Encapsulation of Well-Defined Assembly of Guest Molecules","Crystal Growth & Design","2011","11","2","547","","10.1021/cg101432k","","","0.71073","MoKα","","0.1502","0.0802","","","0.1766","0.2109","","","","","","1.004","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500326","17.7412","0.0008","19.8116","0.0007","10.0546","0.0003","90","","90","","90","","3534","0.2","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C38 H33 Eu N2 O12 -","- C38 H33 Eu N2 O12 -","- C152 H132 Eu4 N8 O48 -","4","0.5","","Sarma, Rupam; Deka, Himangshu; Boudalis, Athanassios K.; Baruah, Jubaraj B.","Coordination Polymers of Lanthanide(III): Toward Encapsulation of Well-Defined Assembly of Guest Molecules","Crystal Growth & Design","2011","11","2","547","","10.1021/cg101432k","","","0.71073","MoKα","","0.0493","0.0266","","","0.0513","0.0579","","","","","","1.024","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500327","10.04","","17.788","","19.786","","90","","90","","90","","3533.61","","296","2","296","2","","","","","","","","5","P n a a","-P 2ac 2bc","56","","","","- C38 H33 Gd N2 O12 -","- C38 H33 Gd N2 O12 -","- C152 H132 Gd4 N8 O48 -","4","0.5","","Sarma, Rupam; Deka, Himangshu; Boudalis, Athanassios K.; Baruah, Jubaraj B.","Coordination Polymers of Lanthanide(III): Toward Encapsulation of Well-Defined Assembly of Guest Molecules","Crystal Growth & Design","2011","11","2","547","","10.1021/cg101432k","","","0.71073","MoKα","","0.0749","0.0399","","","0.091","0.1093","","","","","","1.051","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500328","17.7423","0.0005","19.7457","0.0005","10.0389","0.0003","90","","90","","90","","3516.97","0.17","296","2","296","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C38 H33 N2 O12 Tb -","- C38 H33 N2 O12 Tb -","- C152 H132 N8 O48 Tb4 -","4","0.5","","Sarma, Rupam; Deka, Himangshu; Boudalis, Athanassios K.; Baruah, Jubaraj B.","Coordination Polymers of Lanthanide(III): Toward Encapsulation of Well-Defined Assembly of Guest Molecules","Crystal Growth & Design","2011","11","2","547","","10.1021/cg101432k","","","0.71073","MoKα","","0.029","0.0194","","","0.0439","0.0458","","","","","","0.945","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500329","21.989","0.008","13.251","0.005","11.174","0.004","90","","97.15","0.005","90","","3231","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 N2 O5 S2 Zn -","- C12 H6 N2 O5 S2 Zn -","- C96 H48 N16 O40 S16 Zn8 -","8","1","","Zhang, Ya-Nan; Liu, Ping; Wang, Yao-Yu; Wu, Ling-Yue; Pang, Ling-Yan; Shi, Qi-Zhen","Syntheses and Crystal Structures of a Series of Zn(II)/Cd(II) Coordination Polymers Constructed from a Flexible 6,6′-Dithiodinicotinic Acid","Crystal Growth & Design","2011","11","5","1531","","10.1021/cg101433t","","","0.71073","MoKα","","0.0832","0.0727","","","0.2088","0.2153","","","","","","1.153","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500330","8.33","0.004","10.652","0.006","12.045","0.006","69.424","0.006","76.87","0.007","79.897","0.007","969.1","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H12 N3 O4 S2 Zn -","- C18 H12 N3 O4 S2 Zn -","- C36 H24 N6 O8 S4 Zn2 -","2","1","","Zhang, Ya-Nan; Liu, Ping; Wang, Yao-Yu; Wu, Ling-Yue; Pang, Ling-Yan; Shi, Qi-Zhen","Syntheses and Crystal Structures of a Series of Zn(II)/Cd(II) Coordination Polymers Constructed from a Flexible 6,6′-Dithiodinicotinic Acid","Crystal Growth & Design","2011","11","5","1531","","10.1021/cg101433t","","","0.71073","MoKα","","0.1434","0.1293","","","0.4124","0.4234","","","","","","1.742","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500331","7.9715","0.0018","11.701","0.003","15.038","0.003","72.375","0.003","82.931","0.003","75.442","0.003","1292.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H20 N4 O4 S2 Zn -","- C25 H20 N4 O4 S2 Zn -","- C50 H40 N8 O8 S4 Zn2 -","2","1","","Zhang, Ya-Nan; Liu, Ping; Wang, Yao-Yu; Wu, Ling-Yue; Pang, Ling-Yan; Shi, Qi-Zhen","Syntheses and Crystal Structures of a Series of Zn(II)/Cd(II) Coordination Polymers Constructed from a Flexible 6,6′-Dithiodinicotinic Acid","Crystal Growth & Design","2011","11","5","1531","","10.1021/cg101433t","","","0.71073","MoKα","","0.1032","0.0563","","","0.1391","0.1761","","","","","","0.941","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500332","21.328","0.006","13.794","0.006","22.592","0.008","90","","114.387","0.008","90","","6054","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 Cd N5 O5 S2 -","- C30 H26 Cd N5 O5 S2 -","- C240 H208 Cd8 N40 O40 S16 -","8","1","","Zhang, Ya-Nan; Liu, Ping; Wang, Yao-Yu; Wu, Ling-Yue; Pang, Ling-Yan; Shi, Qi-Zhen","Syntheses and Crystal Structures of a Series of Zn(II)/Cd(II) Coordination Polymers Constructed from a Flexible 6,6′-Dithiodinicotinic Acid","Crystal Growth & Design","2011","11","5","1531","","10.1021/cg101433t","","","0.71073","MoKα","","0.1127","0.076","","","0.2241","0.2619","","","","","","1.071","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500333","16.2439","0.0011","12.9649","0.0009","22.5736","0.0015","90","","106.404","0.001","90","","4560.5","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H40 Cd2 N6 O15 S4 -","- C37 H40 Cd2 N6 O15 S4 -","- C148 H160 Cd8 N24 O60 S16 -","4","1","","Zhang, Ya-Nan; Liu, Ping; Wang, Yao-Yu; Wu, Ling-Yue; Pang, Ling-Yan; Shi, Qi-Zhen","Syntheses and Crystal Structures of a Series of Zn(II)/Cd(II) Coordination Polymers Constructed from a Flexible 6,6′-Dithiodinicotinic Acid","Crystal Growth & Design","2011","11","5","1531","","10.1021/cg101433t","","","0.71073","MoKα","","0.0433","0.032","","","0.0749","0.0813","","","","","","1.027","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500334","11.1121","0.0013","10.9483","0.0012","3.8187","0.0005","90","","90","","90","","464.58","0.1","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C3 H4 Ag N3 -","- C3 H4 Ag N3 -","- C12 H16 Ag4 N12 -","4","1","","Zhang, Jie-Peng; Qi, Xiao-Lin; Liu, Zhi-Juan; Zhu, Ai-Xin; Chen, Yan; Wang, Jing; Chen, Xiao-Ming","Syntheses, Structures, and Porous/Luminescent Properties of Silver 3-Alkyl-1,2,4-Triazolate Frameworks with Rare 3-Connected Topologies","Crystal Growth & Design","2011","11","3","796","","10.1021/cg101435b","","","0.71073","MoKα","","0.0253","0.0235","","","0.0623","0.0636","","","","","","1.079","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500335","7.1495","0.0004","8.1326","0.0004","9.5939","0.0005","90","","90","","90","","557.83","0.05","143","2","143","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C4 H6 Ag N3 -","- C4 H6 Ag N3 -","- C16 H24 Ag4 N12 -","4","1","","Zhang, Jie-Peng; Qi, Xiao-Lin; Liu, Zhi-Juan; Zhu, Ai-Xin; Chen, Yan; Wang, Jing; Chen, Xiao-Ming","Syntheses, Structures, and Porous/Luminescent Properties of Silver 3-Alkyl-1,2,4-Triazolate Frameworks with Rare 3-Connected Topologies","Crystal Growth & Design","2011","11","3","796","","10.1021/cg101435b","","","0.71073","MoKα","","0.0119","0.0119","","","0.0302","0.0302","","","","","","1.037","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500336","13.1876","0.001","21.3132","0.0015","11.7034","0.0008","90","","122.828","0.001","90","","2764.2","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 Ag4 N12 O -","- C16 H26 Ag4 N12 O -","- C64 H104 Ag16 N48 O4 -","4","0.5","","Zhang, Jie-Peng; Qi, Xiao-Lin; Liu, Zhi-Juan; Zhu, Ai-Xin; Chen, Yan; Wang, Jing; Chen, Xiao-Ming","Syntheses, Structures, and Porous/Luminescent Properties of Silver 3-Alkyl-1,2,4-Triazolate Frameworks with Rare 3-Connected Topologies","Crystal Growth & Design","2011","11","3","796","","10.1021/cg101435b","","","0.71073","MoKα","","0.0347","0.0284","","","0.0686","0.0726","","","","","","1.042","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500337","13.0358","0.0014","21.135","0.002","11.7194","0.0013","90","","122.184","0.001","90","","2732.7","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 Ag4 N12 -","- C16 H24 Ag4 N12 -","- C64 H96 Ag16 N48 -","4","0.5","","Zhang, Jie-Peng; Qi, Xiao-Lin; Liu, Zhi-Juan; Zhu, Ai-Xin; Chen, Yan; Wang, Jing; Chen, Xiao-Ming","Syntheses, Structures, and Porous/Luminescent Properties of Silver 3-Alkyl-1,2,4-Triazolate Frameworks with Rare 3-Connected Topologies","Crystal Growth & Design","2011","11","3","796","","10.1021/cg101435b","","","0.71073","MoKα","","0.085","0.052","","","0.1144","0.1313","","","","","","1.048","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500338","12.9651","0.0008","21.4537","0.0014","11.7302","0.0007","90","","122.632","0.001","90","","2747.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H26 Ag4 Cl2 N12 -","- C17 H26 Ag4 Cl2 N12 -","- C68 H104 Ag16 Cl8 N48 -","4","0.5","","Zhang, Jie-Peng; Qi, Xiao-Lin; Liu, Zhi-Juan; Zhu, Ai-Xin; Chen, Yan; Wang, Jing; Chen, Xiao-Ming","Syntheses, Structures, and Porous/Luminescent Properties of Silver 3-Alkyl-1,2,4-Triazolate Frameworks with Rare 3-Connected Topologies","Crystal Growth & Design","2011","11","3","796","","10.1021/cg101435b","","","0.71073","MoKα","","0.0315","0.0266","","","0.0663","0.0701","","","","","","1.008","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500339","11.9318","0.0006","21.3866","0.001","11.6563","0.0006","90","","113.844","0.001","90","","2720.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 Ag4 N13 -","- C18 H27 Ag4 N13 -","- C72 H108 Ag16 N52 -","4","1","","Zhang, Jie-Peng; Qi, Xiao-Lin; Liu, Zhi-Juan; Zhu, Ai-Xin; Chen, Yan; Wang, Jing; Chen, Xiao-Ming","Syntheses, Structures, and Porous/Luminescent Properties of Silver 3-Alkyl-1,2,4-Triazolate Frameworks with Rare 3-Connected Topologies","Crystal Growth & Design","2011","11","3","796","","10.1021/cg101435b","","","0.71073","MoKα","","0.0426","0.0284","","","0.0575","0.065","","","","","","1.024","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500340","13.625","0.0015","21.181","0.0016","11.9294","0.0011","90","","124.107","0.004","90","","2850.5","0.5","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Ag2 N6 -","- C10 H16 Ag2 N6 -","- C80 H128 Ag16 N48 -","8","1","","Zhang, Jie-Peng; Qi, Xiao-Lin; Liu, Zhi-Juan; Zhu, Ai-Xin; Chen, Yan; Wang, Jing; Chen, Xiao-Ming","Syntheses, Structures, and Porous/Luminescent Properties of Silver 3-Alkyl-1,2,4-Triazolate Frameworks with Rare 3-Connected Topologies","Crystal Growth & Design","2011","11","3","796","","10.1021/cg101435b","","","0.71073","MoKα","","0.0434","0.0369","","","0.0829","0.0872","","","","","","1.046","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500341","19.381","0.003","11.5405","0.0015","21.545","0.003","90","","93.601","0.002","90","","4809.4","1.2","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2-Bis(2-methoxy-5-phenyl-3-thienyl)perfluorocyclopentene (1a)","","- C27 H18 F6 O2 S2 -","- C27 H18 F6 O2 S2 -","- C216 H144 F48 O16 S16 -","8","2","","Kobatake, Seiya; Hasegawa, Hiroki; Miyamura, Kentaro","High-Convertible Photochromism of a Diarylethene Single Crystal Accompanying the Crystal Shape Deformation","Crystal Growth & Design","2011","11","4","1223","","10.1021/cg101448m","","","0.71073","MoKα","","0.0519","0.0335","","","0.082","0.0887","","","","","","1.007","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500342","16.2352","0.0016","10.4609","0.001","15.2238","0.0015","90","","112.103","0.002","90","","2395.5","0.4","133","2","133","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2-dimethoxy-8,8,9,9,10,10-hexafluoro-4,14-diphenyl-3,15-dithiatetracyclo-[10.3.0.0^2,6^.0^7,11^] pentadeca-4,6(7),11(12),13-tetraene (1b)","","- C27 H18 F6 O2 S2 -","- C27 H18 F6 O2 S2 -","- C108 H72 F24 O8 S8 -","4","1","","Kobatake, Seiya; Hasegawa, Hiroki; Miyamura, Kentaro","High-Convertible Photochromism of a Diarylethene Single Crystal Accompanying the Crystal Shape Deformation","Crystal Growth & Design","2011","11","4","1223","","10.1021/cg101448m","","","0.71073","MoKα","","0.0427","0.0325","","","0.0827","0.0886","","","","","","1.028","","","","has coordinates,has disorder","211399","2020-10-21","18:00:00",""
"4500343","9.272","0.002","10.852","0.003","11.186","0.003","87.315","0.006","72.896","0.006","69.683","0.006","1006.9","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N5 O6 Zn -","- C19 H17 N5 O6 Zn -","- C38 H34 N10 O12 Zn2 -","2","1","","Lee, Jhen-Yi; Chen, Chih-Yuan; Lee, Hon Man; Passaglia, Elisa; Vizza, Francesco; Oberhauser, Werner","Zinc Coordination Polymers with 2,6-Bis(imidazole-1-yl)pyridine and Benzenecarboxylate:Pseudo-Supramolecular Isomers with and without Interpenetration and Unprecedented Trinodal Topology","Crystal Growth & Design","2011","11","4","1230","","10.1021/cg101453m","","x-ray","0.71073","MoKα","","0.1264","0.0687","","","0.1669","0.1977","","","","","","1.024","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500344","6.5769","0.0011","10.8765","0.0018","15.686","0.003","98.094","0.005","101.276","0.003","96.389","0.004","1078.3","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N6 O5 Zn -","- C22 H20 N6 O5 Zn -","- C44 H40 N12 O10 Zn2 -","2","1","","Lee, Jhen-Yi; Chen, Chih-Yuan; Lee, Hon Man; Passaglia, Elisa; Vizza, Francesco; Oberhauser, Werner","Zinc Coordination Polymers with 2,6-Bis(imidazole-1-yl)pyridine and Benzenecarboxylate:Pseudo-Supramolecular Isomers with and without Interpenetration and Unprecedented Trinodal Topology","Crystal Growth & Design","2011","11","4","1230","","10.1021/cg101453m","","x-ray","0.71073","MoKα","","0.0806","0.051","","","0.1187","0.1316","","","","","","1.022","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500345","11.526","0.002","14.485","0.003","13.108","0.003","90","","95.727","0.004","90","","2177.5","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 N5 O8 Zn2 -","- C20 H13 N5 O8 Zn2 -","- C80 H52 N20 O32 Zn8 -","4","1","","Lee, Jhen-Yi; Chen, Chih-Yuan; Lee, Hon Man; Passaglia, Elisa; Vizza, Francesco; Oberhauser, Werner","Zinc Coordination Polymers with 2,6-Bis(imidazole-1-yl)pyridine and Benzenecarboxylate:Pseudo-Supramolecular Isomers with and without Interpenetration and Unprecedented Trinodal Topology","Crystal Growth & Design","2011","11","4","1230","","10.1021/cg101453m","","x-ray","0.71073","MoKα","","0.1233","0.0678","","","0.1686","0.2047","","","","","","1.024","","","","has coordinates,has disorder","179534","2020-10-21","18:00:00",""
"4500346","11.579","0.002","12.429","0.003","16.887","0.004","98.589","0.004","92.109","0.004","111.937","0.003","2217.7","0.8","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H144 Na4 O32 Ta4 -","- C60 H132 Na4 O32 Ta4 -","- C60 H132 Na4 O32 Ta4 -","1","0.5","","Nunes, Giovana G.; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Crystal Engineering of Nanomorphology for Complex Oxide Materials via Thermal Decomposition of Metal−Organic Frameworks. Case Study of Sodium Tantalate","Crystal Growth & Design","2011","11","4","1238","","10.1021/cg101456w","","","0.71073","MoKα","","0.055","0.0537","","","0.1626","0.1656","","","","","","1.169","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500347","17.394","0.012","10.049","0.007","8.404","0.006","90","","90.18","0.008","90","","1468.9","1.8","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C30 H60 Na O12 Ta -","- C30 Na O12 Ta -","- C60 Na2 O24 Ta2 -","2","0.25","","Nunes, Giovana G.; Seisenbaeva, Gulaim A.; Kessler, Vadim G.","Crystal Engineering of Nanomorphology for Complex Oxide Materials via Thermal Decomposition of Metal−Organic Frameworks. Case Study of Sodium Tantalate","Crystal Growth & Design","2011","11","4","1238","","10.1021/cg101456w","","","0.71073","MoKα","","0.0312","0.0306","","","0.0767","0.0774","","","","","","1.372","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500348","9.3917","0.0011","14.1197","0.0016","15.313","0.0017","90","","90","","90","","2030.6","0.4","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C20 H22 Co N4 O4 -","- C20 H22 Co N4 O4 -","- C80 H88 Co4 N16 O16 -","4","1","","Liu, Jian-Qiang; Huang, Yun-Sheng; Zhao, Ying-Yong; Jia, Zhen-Bin","Molecular Tectonics of Entangled Metal−Organic Frameworks Based on Different Conformational Carboxylates Mixed with a Flexible N,N′-Type Ligand","Crystal Growth & Design","2011","11","2","569","","10.1021/cg101461w","","","0.71073","MoKα","","0.0442","0.0375","","","0.099","0.106","","","","","","0.86","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500349","17.721","0.003","52.356","0.008","8.5857","0.0012","90","","90","","90","","7966","2","298","2","298","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C34 H54 Co2 N8 O11 -","- C34 H52 Co2 N8 O11 -","- C272 H416 Co16 N64 O88 -","8","0.5","","Liu, Jian-Qiang; Huang, Yun-Sheng; Zhao, Ying-Yong; Jia, Zhen-Bin","Molecular Tectonics of Entangled Metal−Organic Frameworks Based on Different Conformational Carboxylates Mixed with a Flexible N,N′-Type Ligand","Crystal Growth & Design","2011","11","2","569","","10.1021/cg101461w","","","0.71073","MoKα","","0.026","0.024","","","0.0595","0.0607","","","","","","1.054","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500350","8.4306","0.0004","10.866","0.0005","10.9357","0.0005","100.654","0.001","103.878","0.001","111.91","0.001","859.41","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 Co N2 O5 -","- C16 H19 Co N2 O5 -","- C32 H38 Co2 N4 O10 -","2","1","","Liu, Jian-Qiang; Huang, Yun-Sheng; Zhao, Ying-Yong; Jia, Zhen-Bin","Molecular Tectonics of Entangled Metal−Organic Frameworks Based on Different Conformational Carboxylates Mixed with a Flexible N,N′-Type Ligand","Crystal Growth & Design","2011","11","2","569","","10.1021/cg101461w","","","0.71073","MoKα","","0.029","0.0264","","","0.0793","0.0803","","","","","","1.091","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500351","14.799","0.0003","15.7385","0.0003","19.0145","0.0005","90","","90","","90","","4428.74","0.17","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H17 Dy2 N3 O16 -","- C18 H17 Dy2 N3 O16 -","- C144 H136 Dy16 N24 O128 -","8","1","","Fang, Shao-Ming; Sañudo, E. Carolina; Hu, Min; Zhang, Qiang; Ma, Song-Tao; Jia, Li-Ran; Wang, Cong; Tang, Jia-You; Du, Miao; Liu, Chun-Sen","Hydrothermal Syntheses, Crystal Structures, and Magnetic Properties of a Series of Unique Three-Dimensional Lanthanide−Organic Coordination Frameworks with aN-Protonated 2,6-Dihydroxypyridine-4-Carboxylate Tecton","Crystal Growth & Design","2011","11","3","811","","10.1021/cg1014626","","","0.71073","MoKα","","0.0572","0.0277","","","0.0418","0.0439","","","","","","0.938","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500352","14.8594","0.0002","15.8477","0.0002","19.0553","0.0003","90","","90","","90","","4487.28","0.11","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H17 Gd2 N3 O16 -","- C18 H17 Gd2 N3 O16 -","- C144 H136 Gd16 N24 O128 -","8","1","","Fang, Shao-Ming; Sañudo, E. Carolina; Hu, Min; Zhang, Qiang; Ma, Song-Tao; Jia, Li-Ran; Wang, Cong; Tang, Jia-You; Du, Miao; Liu, Chun-Sen","Hydrothermal Syntheses, Crystal Structures, and Magnetic Properties of a Series of Unique Three-Dimensional Lanthanide−Organic Coordination Frameworks with aN-Protonated 2,6-Dihydroxypyridine-4-Carboxylate Tecton","Crystal Growth & Design","2011","11","3","811","","10.1021/cg1014626","","","0.71073","MoKα","","0.0292","0.0198","","","0.0444","0.0457","","","","","","0.95","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500353","14.8267","0.0007","15.7817","0.0003","19.0579","0.0007","90","","90","","90","","4459.4","0.3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H17 N3 O16 Tb2 -","- C18 H17 N3 O16 Tb2 -","- C144 H136 N24 O128 Tb16 -","8","1","","Fang, Shao-Ming; Sañudo, E. Carolina; Hu, Min; Zhang, Qiang; Ma, Song-Tao; Jia, Li-Ran; Wang, Cong; Tang, Jia-You; Du, Miao; Liu, Chun-Sen","Hydrothermal Syntheses, Crystal Structures, and Magnetic Properties of a Series of Unique Three-Dimensional Lanthanide−Organic Coordination Frameworks with aN-Protonated 2,6-Dihydroxypyridine-4-Carboxylate Tecton","Crystal Growth & Design","2011","11","3","811","","10.1021/cg1014626","","","0.71073","MoKα","","0.0328","0.0222","","","0.0477","0.0492","","","","","","0.921","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500354","14.8656","0.0016","15.9425","0.0018","19.175","0.002","90","","90","","90","","4544.4","0.9","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H17 Eu2 N3 O16 -","- C18 H17 Eu2 N3 O16 -","- C144 H136 Eu16 N24 O128 -","8","1","","Fang, Shao-Ming; Sañudo, E. Carolina; Hu, Min; Zhang, Qiang; Ma, Song-Tao; Jia, Li-Ran; Wang, Cong; Tang, Jia-You; Du, Miao; Liu, Chun-Sen","Hydrothermal Syntheses, Crystal Structures, and Magnetic Properties of a Series of Unique Three-Dimensional Lanthanide−Organic Coordination Frameworks with aN-Protonated 2,6-Dihydroxypyridine-4-Carboxylate Tecton","Crystal Growth & Design","2011","11","3","811","","10.1021/cg1014626","","","0.71073","MoKα","","0.0817","0.0404","","","0.0682","0.074","","","","","","0.969","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500355","14.7597","0.0005","15.7023","0.0006","18.9885","0.0009","90","","90","","90","","4400.8","0.3","294","2","294","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H17 Ho2 N3 O16 -","- C18 H17 Ho2 N3 O16 -","- C144 H136 Ho16 N24 O128 -","8","1","","Fang, Shao-Ming; Sañudo, E. Carolina; Hu, Min; Zhang, Qiang; Ma, Song-Tao; Jia, Li-Ran; Wang, Cong; Tang, Jia-You; Du, Miao; Liu, Chun-Sen","Hydrothermal Syntheses, Crystal Structures, and Magnetic Properties of a Series of Unique Three-Dimensional Lanthanide−Organic Coordination Frameworks with aN-Protonated 2,6-Dihydroxypyridine-4-Carboxylate Tecton","Crystal Growth & Design","2011","11","3","811","","10.1021/cg1014626","","","0.71073","MoKα","","0.0301","0.0192","","","0.034","0.0346","","","","","","1.004","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500356","13.358","0.004","22.436","0.007","33.343","0.01","90","","90.006","0.006","90","","9993","5","293","2","120","2","","","","","","","","4","P 1 n 1","P -2yac","7","trimethyltin hydroxide","","","- C24 H72 O8 Sn8 -","- C24 H72 O8 Sn8 -","- C192 H576 O64 Sn64 -","8","4","","Anderson, Kirsty M.; Tallentire, Sarah E.; Probert, Michael R.; Goeta, Andrés E.; Mendis, Budhika G.; Steed, Jonathan W.","Trimethyltin Hydroxide: A Crystallographic and HighZ′ Curiosity","Crystal Growth & Design","2011","11","3","820","","10.1021/cg101464j","","","0.71073","MoKα","","0.3136","0.0681","","","0.2221","0.3569","","","","","","0.91","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500357","10.793","0.002","6.6883","0.0013","8.3828","0.0017","90","","90.13","0.003","90","","605.1","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Me3snoh","","","- C3 H10 O Sn -","- C3 H10 O Sn -","- C12 H40 O4 Sn4 -","4","1","","Anderson, Kirsty M.; Tallentire, Sarah E.; Probert, Michael R.; Goeta, Andrés E.; Mendis, Budhika G.; Steed, Jonathan W.","Trimethyltin Hydroxide: A Crystallographic and HighZ′ Curiosity","Crystal Growth & Design","2011","11","3","820","","10.1021/cg101464j","","","0.71073","MoKα","","0.0791","0.0387","","","0.0718","0.0819","","","","","","1.174","","","","has coordinates,has disorder","179534","2020-10-21","18:00:00",""
"4500358","6.0867","0.0019","10.568","0.003","12.745","0.004","105.127","0.005","101.795","0.005","98.292","0.006","757.6","0.4","115","2","115","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","1","","Nishiguchi, Noriaki; Sato, Tomohiro; Kinuta, Takafumi; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Crystal Structures and Solid-State Optical Properties of Supramolecular Organic Fluorophore Composed of 1D Columnar Network Structure Consisting of Fluorescent 2-Naphthalenecarboxylic Acid","Crystal Growth & Design","2011","11","3","827","","10.1021/cg101480x","","","0.71073","MoKα","","0.0861","0.0708","","","0.1877","0.2039","","","","","","1.034","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500359","5.693","0.0005","9.1762","0.0008","30.95","0.003","90","","94.519","0.002","90","","1611.8","0.3","115","2","115","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","1","","Nishiguchi, Noriaki; Sato, Tomohiro; Kinuta, Takafumi; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Crystal Structures and Solid-State Optical Properties of Supramolecular Organic Fluorophore Composed of 1D Columnar Network Structure Consisting of Fluorescent 2-Naphthalenecarboxylic Acid","Crystal Growth & Design","2011","11","3","827","","10.1021/cg101480x","","","0.71073","MoKα","","0.0685","0.0584","","","0.1313","0.1367","","","","","","1.098","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500360","7.2024","0.0005","6.0955","0.0004","37.705","0.003","90","","90.524","0.001","90","","1655.3","0.2","115","2","115","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","","Nishiguchi, Noriaki; Sato, Tomohiro; Kinuta, Takafumi; Kuroda, Reiko; Matsubara, Yoshio; Imai, Yoshitane","Crystal Structures and Solid-State Optical Properties of Supramolecular Organic Fluorophore Composed of 1D Columnar Network Structure Consisting of Fluorescent 2-Naphthalenecarboxylic Acid","Crystal Growth & Design","2011","11","3","827","","10.1021/cg101480x","","","0.71073","MoKα","","0.053","0.0457","","","0.1147","0.1192","","","","","","1.013","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500361","10.0243","0.001","16.3867","0.0018","9.0352","0.001","90","","90","","90","","1484.2","0.3","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H2 Br4 N2 S4 Tl -","- C6 H2 Br4 N2 S4 Tl -","- C24 H8 Br16 N8 S16 Tl4 -","4","0.5","","Fujita, Wataru; Takahashi, Kazuyuki; Kobayashi, Hayao","Structural and Magnetic Studies on Two-Dimensional Square Planar Lattice Magnets Composed of Organic Radical Cation Salts (Benzo[1,2-d:4,5-d′]Bis[1,3,2]dithiazolyl-2-zolium)·X (X = TlBr4, TlI4, and InI4)","Crystal Growth & Design","2011","11","2","575","","10.1021/cg101481c","","","0.7107","MoKα","","0.0432","0.0402","","","0.075","0.0759","","","","","","1.269","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500362","12.243","0.002","18.452","0.003","7.4456","0.0017","90","","90","","90","","1682","0.5","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H2 I4 N2 S4 Tl -","- C6 H2 I4 N2 S4 Tl -","- C24 H8 I16 N8 S16 Tl4 -","4","0.5","","Fujita, Wataru; Takahashi, Kazuyuki; Kobayashi, Hayao","Structural and Magnetic Studies on Two-Dimensional Square Planar Lattice Magnets Composed of Organic Radical Cation Salts (Benzo[1,2-d:4,5-d′]Bis[1,3,2]dithiazolyl-2-zolium)·X (X = TlBr4, TlI4, and InI4)","Crystal Growth & Design","2011","11","2","575","","10.1021/cg101481c","","","0.7107","MoKα","","0.0775","0.0664","","","0.1774","0.1847","","","","","","1.141","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500363","12.1161","0.0012","18.8319","0.0018","7.4905","0.0007","90","","90","","90","","1709.1","0.3","120","2","120","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C6 H2 I4 In N2 S4 -","- C6 H2 I4 In N2 S4 -","- C24 H8 I16 In4 N8 S16 -","4","0.5","","Fujita, Wataru; Takahashi, Kazuyuki; Kobayashi, Hayao","Structural and Magnetic Studies on Two-Dimensional Square Planar Lattice Magnets Composed of Organic Radical Cation Salts (Benzo[1,2-d:4,5-d′]Bis[1,3,2]dithiazolyl-2-zolium)·X (X = TlBr4, TlI4, and InI4)","Crystal Growth & Design","2011","11","2","575","","10.1021/cg101481c","","","0.7107","MoKα","","0.0453","0.0389","","","0.0983","0.1006","","","","","","1.228","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500364","24.25","0.007","18.765","0.006","17.72","0.005","90","","107.673","0.004","90","","7683","4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H52 N12 Nb10 Ni3 O30 -","- C60 H48 N12 Nb10 Ni3 O30 -","- C240 H192 N48 Nb40 Ni12 O120 -","4","0.5","","Niu, Jingyang; Wang, Guan; Zhao, Junwei; Sui, Yunxia; Ma, Pengtao; Wang, Jingping","Zero- or One-Dimensional Organic−Inorganic Hybrid Polyoxoniobates Constructed from Decaniobate Units and Transition-Metal Complexes","Crystal Growth & Design","2011","11","4","1253","","10.1021/cg1014829","","","0.71073","MoKα","","0.0263","0.022","","","0.0595","0.0614","","","","","","1.039","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500365","14.139","0.003","14.16","0.003","24.201","0.005","80.884","0.003","89.686","0.003","89.727","0.003","4783.9","1.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H73 N14 Nb10 Ni3 O36.5 -","- C70 H56 N14 Nb10 Ni3 O36.5 -","- C140 H112 N28 Nb20 Ni6 O73 -","2","1","","Niu, Jingyang; Wang, Guan; Zhao, Junwei; Sui, Yunxia; Ma, Pengtao; Wang, Jingping","Zero- or One-Dimensional Organic−Inorganic Hybrid Polyoxoniobates Constructed from Decaniobate Units and Transition-Metal Complexes","Crystal Growth & Design","2011","11","4","1253","","10.1021/cg1014829","","","0.71073","MoKα","","0.0553","0.0384","","","0.1031","0.1102","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500366","27.578","0.01","17.319","0.006","24.646","0.009","90","","121.555","0.006","90","","10031","6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H72 N14 Nb10 Ni3 O36 -","- C84 H56 N14 Nb10 Ni3 O36 -","- C336 H224 N56 Nb40 Ni12 O144 -","4","0.5","","Niu, Jingyang; Wang, Guan; Zhao, Junwei; Sui, Yunxia; Ma, Pengtao; Wang, Jingping","Zero- or One-Dimensional Organic−Inorganic Hybrid Polyoxoniobates Constructed from Decaniobate Units and Transition-Metal Complexes","Crystal Growth & Design","2011","11","4","1253","","10.1021/cg1014829","","","0.71073","MoKα","","0.1251","0.0577","","","0.1305","0.1653","","","","","","1.002","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500367","27.946","0.004","17.356","0.002","24.704","0.003","90","","121.284","0.002","90","","10240","2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H72 N14 Nb10 O36 Zn3 -","- C84 H56 N14 Nb10 O36 Zn3 -","- C336 H224 N56 Nb40 O144 Zn12 -","4","0.5","","Niu, Jingyang; Wang, Guan; Zhao, Junwei; Sui, Yunxia; Ma, Pengtao; Wang, Jingping","Zero- or One-Dimensional Organic−Inorganic Hybrid Polyoxoniobates Constructed from Decaniobate Units and Transition-Metal Complexes","Crystal Growth & Design","2011","11","4","1253","","10.1021/cg1014829","","","0.71073","MoKα","","0.1235","0.0526","","","0.1158","0.1493","","","","","","1.008","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500368","27.771","0.003","17.263","0.002","24.677","0.005","90","","121.158","0.002","90","","10124","3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H72 Co3 N14 Nb10 O36 -","- C84 H56 Co3 N14 Nb10 O36 -","- C336 H224 Co12 N56 Nb40 O144 -","4","0.5","","Niu, Jingyang; Wang, Guan; Zhao, Junwei; Sui, Yunxia; Ma, Pengtao; Wang, Jingping","Zero- or One-Dimensional Organic−Inorganic Hybrid Polyoxoniobates Constructed from Decaniobate Units and Transition-Metal Complexes","Crystal Growth & Design","2011","11","4","1253","","10.1021/cg1014829","","","0.71073","MoKα","","0.0484","0.036","","","0.1042","0.117","","","","","","1.004","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500369","7.2138","0.0012","8.3667","0.0015","8.8361","0.0013","99.826","0.013","113.825","0.01","110.721","0.011","424.55","0.15","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C9 H6 N6 -","- C9 H6 N6 -","- C18 H12 N12 -","2","1","","Schubert, David M.; Natan, Daniel T.; Wilson, Duane C.; Hardcastle, Kenneth I.","Facile Synthesis and Structures of Cyclic Triimidazole and Its Boric Acid Adduct","Crystal Growth & Design","2011","11","3","843","850","10.1021/cg101489t","","","1.54178","CuKα","","0.0753","0.0551","","","0.1697","0.197","","","","","","1.092","","","","has coordinates","211066","2020-10-21","18:00:00",""
"4500370","7.5608","0.0003","7.5669","0.0005","15.8436","0.0008","84.504","0.003","81.269","0.003","87.038","0.003","891.18","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H7 N6 O0.5 -","- C9 H7 N6 O0.5 -","- C36 H28 N24 O2 -","4","2","","Schubert, David M.; Natan, Daniel T.; Wilson, Duane C.; Hardcastle, Kenneth I.","Facile Synthesis and Structures of Cyclic Triimidazole and Its Boric Acid Adduct","Crystal Growth & Design","2011","11","3","843","850","10.1021/cg101489t","","","1.54178","CuKα","","0.0482","0.0435","","","0.1163","0.1202","","","","","","1.046","","","","has coordinates","211066","2020-10-21","18:00:00",""
"4500371","10.1186","0.0003","10.1186","0.0003","6.3488","0.0004","90","","90","","120","","562.94","0.04","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C9 H9 B N6 O3 -","- C9 H9 B N6 O3 -","- C18 H18 B2 N12 O6 -","2","0.333333","","Schubert, David M.; Natan, Daniel T.; Wilson, Duane C.; Hardcastle, Kenneth I.","Facile Synthesis and Structures of Cyclic Triimidazole and Its Boric Acid Adduct","Crystal Growth & Design","2011","11","3","843","850","10.1021/cg101489t","","","1.54178","CuKα","","0.0298","0.0284","","","0.0798","0.081","","","","","","1.102","","","","has coordinates","211066","2020-10-21","18:00:00",""
"4500372","13.366","0.003","10.79","0.002","12.769","0.002","90","","93.432","0.004","90","","1838.2","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Ag B F4 N3 O3 -","- C17 H11 Ag B F4 N3 O3 -","- C68 H44 Ag4 B4 F16 N12 O12 -","4","1","","Wan, Chong-Qing; Mak, Thomas C. W.","Unusual Carbonyl···Carbonyl Interaction in Supramolecular Structures of Silver(I) Complexes with 2,6-Pyridinediylbis(4-pyridinyl)methanone","Crystal Growth & Design","2011","11","3","832","","10.1021/cg101490a","","","0.71073","MoKα","","0.0744","0.0537","","","0.156","0.1776","","","","","","1.038","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500373","13.4694","0.0019","10.614","0.0015","12.6433","0.0019","90","","92.801","0.003","90","","1805.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Ag N4 O6 -","- C17 H11 Ag N4 O6 -","- C68 H44 Ag4 N16 O24 -","4","1","","Wan, Chong-Qing; Mak, Thomas C. W.","Unusual Carbonyl···Carbonyl Interaction in Supramolecular Structures of Silver(I) Complexes with 2,6-Pyridinediylbis(4-pyridinyl)methanone","Crystal Growth & Design","2011","11","3","832","","10.1021/cg101490a","","","0.71073","MoKα","","0.096","0.0469","","","0.1208","0.1528","","","","","","1.005","","","","has coordinates,has disorder","179534","2020-10-21","18:00:00",""
"4500374","6.8745","0.0015","10.444","0.002","25.018","0.005","90","","91.677","0.004","90","","1795.5","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H24 Ag3 N9 O11 -","- C34 H24 Ag3 N9 O11 -","- C68 H48 Ag6 N18 O22 -","2","1","","Wan, Chong-Qing; Mak, Thomas C. W.","Unusual Carbonyl···Carbonyl Interaction in Supramolecular Structures of Silver(I) Complexes with 2,6-Pyridinediylbis(4-pyridinyl)methanone","Crystal Growth & Design","2011","11","3","832","","10.1021/cg101490a","","","0.71073","MoKα","","0.0658","0.0434","","","0.0854","0.0964","","","","","","1.085","","","","has coordinates,has disorder","179534","2020-10-21","18:00:00",""
"4500375","6.8378","0.0018","10.435","0.003","13.23","0.004","96.019","0.005","104.732","0.006","94.695","0.006","902.1","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H22 Ag2 F12 N6 O4 P2 -","- C34 H22 Ag2 F12 N6 O4 P2 -","- C34 H22 Ag2 F12 N6 O4 P2 -","1","0.5","","Wan, Chong-Qing; Mak, Thomas C. W.","Unusual Carbonyl···Carbonyl Interaction in Supramolecular Structures of Silver(I) Complexes with 2,6-Pyridinediylbis(4-pyridinyl)methanone","Crystal Growth & Design","2011","11","3","832","","10.1021/cg101490a","","","0.71073","MoKα","","0.091","0.0691","","","0.1761","0.1923","","","","","","1.044","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500376","8.2974","0.0013","8.4741","0.0012","13.966","0.002","100.676","0.003","94.563","0.003","104.608","0.003","925.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H11 Ag F3 N3 O4 -","- C19 H11 Ag F3 N3 O4 -","- C38 H22 Ag2 F6 N6 O8 -","2","1","","Wan, Chong-Qing; Mak, Thomas C. W.","Unusual Carbonyl···Carbonyl Interaction in Supramolecular Structures of Silver(I) Complexes with 2,6-Pyridinediylbis(4-pyridinyl)methanone","Crystal Growth & Design","2011","11","3","832","","10.1021/cg101490a","","","0.71073","MoKα","","0.0531","0.045","","","0.1195","0.1283","","","","","","1.036","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500377","30.277","0.005","7.0619","0.0013","20.801","0.004","90","","117.585","0.003","90","","3942","1.2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C36 H22 Ag2 F6 N6 O10 S2 -","- C36 H22 Ag2 F6 N6 O10 S2 -","- C144 H88 Ag8 F24 N24 O40 S8 -","4","0.5","","Wan, Chong-Qing; Mak, Thomas C. W.","Unusual Carbonyl···Carbonyl Interaction in Supramolecular Structures of Silver(I) Complexes with 2,6-Pyridinediylbis(4-pyridinyl)methanone","Crystal Growth & Design","2011","11","3","832","","10.1021/cg101490a","","","0.71073","MoKα","","0.0478","0.0386","","","0.1011","0.1108","","","","","","1.031","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500378","9.399","0.004","9.791","0.005","12.087","0.006","93.867","0.009","102.894","0.008","108.332","0.009","1017.8","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H11 Ag F5 N3 O4 -","- C20 H11 Ag F5 N3 O4 -","- C40 H22 Ag2 F10 N6 O8 -","2","1","","Wan, Chong-Qing; Mak, Thomas C. W.","Unusual Carbonyl···Carbonyl Interaction in Supramolecular Structures of Silver(I) Complexes with 2,6-Pyridinediylbis(4-pyridinyl)methanone","Crystal Growth & Design","2011","11","3","832","","10.1021/cg101490a","","","0.71073","MoKα","","0.0529","0.0456","","","0.1219","0.1318","","","","","","1.04","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500379","7.1978","0.001","7.8299","0.0008","14.7824","0.0014","103.094","0.008","101.379","0.01","91.071","0.01","793.74","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Mn N6 O8 S2 -","- C28 H30 Mn N6 O8 S2 -","- C28 H30 Mn N6 O8 S2 -","1","0.5","","Li, Guo-Bi; Liu, Jun-Min; Cai, Yue-Peng; Su, Cheng-Yong","Structural Diversity of a Series of Mn(II), Cd(II), and Co(II) Complexes with Pyridine Donor Diimide Ligands","Crystal Growth & Design","2011","11","7","2763","","10.1021/cg1014913","","","1.54178","CuKα","","0.0865","0.075","","","0.2245","0.2667","","","","","","1.065","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500380","9.527","0.0005","11.2958","0.0007","12.2827","0.0008","64.411","0.006","84.523","0.005","74.411","0.005","1147.98","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H36 Mn N10 O10 S2 -","- C48 H36 Mn N10 O10 S2 -","- C48 H36 Mn N10 O10 S2 -","1","0.5","","Li, Guo-Bi; Liu, Jun-Min; Cai, Yue-Peng; Su, Cheng-Yong","Structural Diversity of a Series of Mn(II), Cd(II), and Co(II) Complexes with Pyridine Donor Diimide Ligands","Crystal Growth & Design","2011","11","7","2763","","10.1021/cg1014913","","","0.71073","MoKα","","0.0648","0.0403","","","0.0911","0.0982","","","","","","0.853","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500381","28.6655","0.0009","13.4822","0.0005","15.6206","0.0006","90","","104.564","0.004","90","","5843","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C55 H32 Mn N10 O14 S2 -","- C55 H32 Mn N10 O14 S2 -","- C220 H128 Mn4 N40 O56 S8 -","4","0.5","","Li, Guo-Bi; Liu, Jun-Min; Cai, Yue-Peng; Su, Cheng-Yong","Structural Diversity of a Series of Mn(II), Cd(II), and Co(II) Complexes with Pyridine Donor Diimide Ligands","Crystal Growth & Design","2011","11","7","2763","","10.1021/cg1014913","","","1.54178","CuKα","","0.1201","0.0859","","","0.2275","0.2611","","","","","","1.03","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500382","16.677","0.005","17.547","0.005","12.196","0.005","90","","126.616","0.005","90","","2864.6","1.7","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H14 Cd I2 N4 O6.8 -","- C22 H14 Cd I2 N4 O7.2 -","- C88 H56 Cd4 I8 N16 O28.8 -","4","0.5","","Li, Guo-Bi; Liu, Jun-Min; Cai, Yue-Peng; Su, Cheng-Yong","Structural Diversity of a Series of Mn(II), Cd(II), and Co(II) Complexes with Pyridine Donor Diimide Ligands","Crystal Growth & Design","2011","11","7","2763","","10.1021/cg1014913","","","0.71073","MoKα","","0.0758","0.0558","","","0.1643","0.1739","","","","","","0.994","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4500383","15.2299","0.0015","10.8222","0.001","15.4087","0.0015","90","","116.394","0.002","90","","2274.9","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cd I2 N4 O4 -","- C22 H14 Cd I2 N4 O4 -","- C88 H56 Cd4 I8 N16 O16 -","4","1","","Li, Guo-Bi; Liu, Jun-Min; Cai, Yue-Peng; Su, Cheng-Yong","Structural Diversity of a Series of Mn(II), Cd(II), and Co(II) Complexes with Pyridine Donor Diimide Ligands","Crystal Growth & Design","2011","11","7","2763","","10.1021/cg1014913","","","0.71073","MoKα","","0.0372","0.0266","","","0.0627","0.0676","","","","","","1.081","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500384","5.885","0.005","11.267","0.005","12.9","0.005","68.083","0.005","87.642","0.005","82.567","0.005","786.8","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H16 Cd N6 O6 S2 -","- C28 H16 Cd N6 O6 S2 -","- C28 H16 Cd N6 O6 S2 -","1","0.5","","Li, Guo-Bi; Liu, Jun-Min; Cai, Yue-Peng; Su, Cheng-Yong","Structural Diversity of a Series of Mn(II), Cd(II), and Co(II) Complexes with Pyridine Donor Diimide Ligands","Crystal Growth & Design","2011","11","7","2763","","10.1021/cg1014913","","","0.71073","MoKα","","0.0831","0.0743","","","0.2171","0.2233","","","","","","1.054","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500385","18.3308","0.0011","22.5675","0.001","31.7435","0.0013","90","","90","","90","","13131.7","1.1","150","2","150","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C23 H14 Co0.5 N5 O7.5 S -","- C23 H14 Co0.5 N5 O7.5 S -","- C368 H224 Co8 N80 O120 S16 -","16","0.5","","Li, Guo-Bi; Liu, Jun-Min; Cai, Yue-Peng; Su, Cheng-Yong","Structural Diversity of a Series of Mn(II), Cd(II), and Co(II) Complexes with Pyridine Donor Diimide Ligands","Crystal Growth & Design","2011","11","7","2763","","10.1021/cg1014913","","","1.54178","CuKα","","0.0907","0.0829","","","0.2143","0.2188","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500386","7.932","0.005","11.356","0.005","14.605","0.005","78.961","0.005","80.467","0.005","79.776","0.005","1258.9","1.1","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H30 Cl6 Co N10 O8 S2 -","- C48 H30 Cl6 Co N10 O8 S2 -","- C48 H30 Cl6 Co N10 O8 S2 -","1","0.5","","Li, Guo-Bi; Liu, Jun-Min; Cai, Yue-Peng; Su, Cheng-Yong","Structural Diversity of a Series of Mn(II), Cd(II), and Co(II) Complexes with Pyridine Donor Diimide Ligands","Crystal Growth & Design","2011","11","7","2763","","10.1021/cg1014913","","","0.71073","MoKα","","0.0614","0.0376","","","0.0542","0.0567","","","","","","1.002","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500387","28.6844","0.0012","13.5805","0.0006","15.5499","0.0006","90","","104.672","0.004","90","","5859.9","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H32 Co N10 O17 S2 -","- C54 H32 Co N10 O17 S2 -","- C216 H128 Co4 N40 O68 S8 -","4","0.5","","Li, Guo-Bi; Liu, Jun-Min; Cai, Yue-Peng; Su, Cheng-Yong","Structural Diversity of a Series of Mn(II), Cd(II), and Co(II) Complexes with Pyridine Donor Diimide Ligands","Crystal Growth & Design","2011","11","7","2763","","10.1021/cg1014913","","","0.71073","MoKα","","0.1504","0.1152","","","0.3494","0.3837","","","","","","1.067","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500388","12.581","0.003","12.583","0.003","17.046","0.003","90","","93.32","0.03","90","","2694","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 Co N6 O8 -","- C27 H24 Co N6 O8 -","- C108 H96 Co4 N24 O32 -","4","1","","Mu, Yajuan; Fu, Junhong; Song, Yajing; Li, Zhen; Hou, Hongwei; Fan, Yaoting","Hydrothermal Syntheses of Metal‒Organic Frameworks Constructed from Aromatic Polycarboxylate and 4,4′-Bis(1,2,4-triazol-1-ylmethyl)biphenyl","Crystal Growth & Design","2011","11","6","2183","","10.1021/cg101494t","","","0.71073","MoKα","","0.051","0.0479","","","0.124","0.1265","","","","","","1.123","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500389","17.519","0.004","10.08","0.002","22.931","0.005","90","","98.72","0.03","90","","4002.6","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H66 Co3 N18 O20 -","- C72 H66 Co3 N18 O20 -","- C144 H132 Co6 N36 O40 -","2","0.5","","Mu, Yajuan; Fu, Junhong; Song, Yajing; Li, Zhen; Hou, Hongwei; Fan, Yaoting","Hydrothermal Syntheses of Metal‒Organic Frameworks Constructed from Aromatic Polycarboxylate and 4,4′-Bis(1,2,4-triazol-1-ylmethyl)biphenyl","Crystal Growth & Design","2011","11","6","2183","","10.1021/cg101494t","","","0.71073","MoKα","","0.0998","0.0836","","","0.1887","0.2011","","","","","","1.146","","","","has coordinates,has disorder","179534","2020-10-21","18:00:00",""
"4500390","9.5435","0.0019","14.915","0.003","25.142","0.005","90","","97.06","0.03","90","","3551.6","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H66 Co3 N18 O18 -","- C72 H66 Co3 N18 O18 -","- C144 H132 Co6 N36 O36 -","2","0.5","","Mu, Yajuan; Fu, Junhong; Song, Yajing; Li, Zhen; Hou, Hongwei; Fan, Yaoting","Hydrothermal Syntheses of Metal‒Organic Frameworks Constructed from Aromatic Polycarboxylate and 4,4′-Bis(1,2,4-triazol-1-ylmethyl)biphenyl","Crystal Growth & Design","2011","11","6","2183","","10.1021/cg101494t","","","0.71073","MoKα","","0.0881","0.07","","","0.1343","0.1465","","","","","","1.188","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500391","9.5275","0.0019","14.861","0.003","25.048","0.005","90","","96.92","0.03","90","","3520.7","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C72 H66 N18 Ni3 O18 -","- C72 H66 N18 Ni3 O18 -","- C144 H132 N36 Ni6 O36 -","2","0.5","","Mu, Yajuan; Fu, Junhong; Song, Yajing; Li, Zhen; Hou, Hongwei; Fan, Yaoting","Hydrothermal Syntheses of Metal‒Organic Frameworks Constructed from Aromatic Polycarboxylate and 4,4′-Bis(1,2,4-triazol-1-ylmethyl)biphenyl","Crystal Growth & Design","2011","11","6","2183","","10.1021/cg101494t","","","0.71073","MoKα","","0.1068","0.0834","","","0.1545","0.1678","","","","","","1.163","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500392","10.169","0.002","16.396","0.003","17.484","0.005","90","","119.24","0.02","90","","2543.7","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Cu N6 O6 -","- C27 H20 Cu N6 O6 -","- C108 H80 Cu4 N24 O24 -","4","1","","Mu, Yajuan; Fu, Junhong; Song, Yajing; Li, Zhen; Hou, Hongwei; Fan, Yaoting","Hydrothermal Syntheses of Metal‒Organic Frameworks Constructed from Aromatic Polycarboxylate and 4,4′-Bis(1,2,4-triazol-1-ylmethyl)biphenyl","Crystal Growth & Design","2011","11","6","2183","","10.1021/cg101494t","","","0.71073","MoKα","","0.0808","0.072","","","0.1499","0.1552","","","","","","1.196","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500393","8.2582","0.0017","11.067","0.002","14.08","0.003","93.68","0.03","105.18","0.03","92.97","0.03","1236.2","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H20 Cu N6 O4 -","- C26 H20 Cu N6 O4 -","- C52 H40 Cu2 N12 O8 -","2","1","","Mu, Yajuan; Fu, Junhong; Song, Yajing; Li, Zhen; Hou, Hongwei; Fan, Yaoting","Hydrothermal Syntheses of Metal‒Organic Frameworks Constructed from Aromatic Polycarboxylate and 4,4′-Bis(1,2,4-triazol-1-ylmethyl)biphenyl","Crystal Growth & Design","2011","11","6","2183","","10.1021/cg101494t","","","0.71073","MoKα","","0.114","0.0863","","","0.1787","0.196","","","","","","1.16","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500394","6.0292","0.0002","3.8688","0.0001","25.3201","0.0008","90","","92.004","0.002","90","","590.25","0.03","153","2","153","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","4,4'-Dichlorobenzil","1,2-Bis(4-chlorophenyl)ethane-1,2-dione","","- C14 H8 Cl2 O2 -","- C14 H8 Cl2 O2 -","- C28 H16 Cl4 O4 -","2","0.5","","Felsmann, Marika; Eissmann, Frank; Schwarzer, Anke; Weber, Edwin","Competitive Interactions in the Crystal Structures of Benzils Effected by Different Halogen Substitution","Crystal Growth & Design","2011","11","4","982","","10.1021/cg101495f","","","0.71073","MoKα","","0.0389","0.0339","","","0.0799","0.082","","","","","","1.163","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500395","6.0063","0.0012","26.006","0.005","4.0378","0.0008","90","","90","","90","","630.7","0.2","93","2","93","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","4,4'-Dibromobenzil","1,2-Bis(4-bromophenyl)ethane-1,2-dione","","- C14 H8 Br2 O2 -","- C14 H8 Br2 O2 -","- C28 H16 Br4 O4 -","2","0.5","","Felsmann, Marika; Eissmann, Frank; Schwarzer, Anke; Weber, Edwin","Competitive Interactions in the Crystal Structures of Benzils Effected by Different Halogen Substitution","Crystal Growth & Design","2011","11","4","982","","10.1021/cg101495f","","","0.71073","MoKα","","0.0297","0.0243","","","0.0485","0.0496","","","","","","1.105","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500396","5.8782","0.0008","27.12","0.004","4.1474","0.0004","90","","90","","90","","661.17","0.15","153","2","153","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","4,4'-Diiodobenzil","1,2-Bis(4-iodophenyl)ethane-1,2-dione","","- C14 H8 I2 O2 -","- C14 H8 I2 O2 -","- C28 H16 I4 O4 -","2","0.5","","Felsmann, Marika; Eissmann, Frank; Schwarzer, Anke; Weber, Edwin","Competitive Interactions in the Crystal Structures of Benzils Effected by Different Halogen Substitution","Crystal Growth & Design","2011","11","4","982","","10.1021/cg101495f","","","0.71073","MoKα","","0.0232","0.023","","","0.0576","0.0577","","","","","","1.368","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500397","10.224","0.002","13.969","0.002","12.724","0.002","90","","98.996","0.002","90","","1794.9","0.5","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","(1RS,3SR,4RS)-1-Phenyl-cis-3,4-butano-1-hydro-2,5-benzoxazocine HCl, (1RS,3SR,4RS)-cis-3,4-butano-N-desmethylnefopam HCl","6-Phenyl-11,12-dihydro-6H-5oxa-12-azonia-dibenzo[a,e]cyclooctene hydrogenchloride","","- C20 H24 Cl N O -","- C20 H24 Cl N O -","- C80 H96 Cl4 N4 O4 -","4","2","","Steinberg, Avital; Ergaz, Itzhak; Toscano, Rubén Alfredo; Glaser, Robert","Crystallization of a Racemate Affords aP21Chiral Crystal Structure: Asymmetric Unit of Two Opposite Handed Molecules Simulates AchiralP21/nPacking via Pseudosymmetry","Crystal Growth & Design","2011","11","4","1262","","10.1021/cg1014994","","","0.71073","MoKα","","0.0279","0.0241","","","0.0596","0.0614","","","","","","1.015","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500398","10.036","0.005","19.177","0.01","7.628","0.004","90","","100.228","0.012","90","","1444.8","1.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(cyclopropylammonium).(terephthalate)","","- C14 H20 N2 O4 -","- C14 H20 N2 O4 -","- C56 H80 N8 O16 -","4","1","","Lemmerer, Andreas","Two-Dimensional Hydrogen-Bonding Patterns in a Series of Salts of Terephthalic Acid and the Cyclic Amines CnH2n−1NH2,n= 3, 4, 5, 6, 7, 8, and 12","Crystal Growth & Design","2011","11","2","583","","10.1021/cg101503x","","","0.71073","MoKα","","0.1332","0.086","","","0.2156","0.2489","","","","","","1.02","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500399","7.484","0.002","11.332","0.004","11.999","0.004","104.202","0.006","101.783","0.007","106.211","0.007","905.7","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","bis(cyclobutylammonium).(terephthalate).(H2O)","","- C16 H26 N2 O5 -","- C16 H26 N2 O5 -","- C32 H52 N4 O10 -","2","1","","Lemmerer, Andreas","Two-Dimensional Hydrogen-Bonding Patterns in a Series of Salts of Terephthalic Acid and the Cyclic Amines CnH2n−1NH2,n= 3, 4, 5, 6, 7, 8, and 12","Crystal Growth & Design","2011","11","2","583","","10.1021/cg101503x","","","0.71073","MoKα","","0.1211","0.0689","","","0.197","0.2229","","","","","","1.106","","","","has coordinates","179534","2020-10-21","18:00:00",""
"4500400","10.2924","0.0016","6.3171","0.001","14.574","0.002","90","","106.009","0.011","90","","910.8","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","bis(cyclopentylammonium).(terephthalate)","","- C9 H14 N O2 -","- C9 H14 N O2 -","- C36 H56 N4 O8 -","4","1","","Lemmerer, Andreas","Two-Dimensional Hydrogen-Bonding Patterns in a Series of Salts of Terephthalic Acid and the Cyclic Amines CnH2n−1NH2,n= 3, 4, 5, 6, 7, 8, and 12","Crystal Growth & Design","2011","11","2","583","","10.1021/cg101503x","","","0.71073","MoKα","","0.0657","0.0419","","","0.106","0.1137","","","","","","1.038","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500401","6.4126","0.0002","8.368","0.0003","28.9437","0.0008","95.534","0.002","90.51","0.002","96.869","0.002","1534.47","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","bis(cyclohexylammonium)terepthalate with Disorder Model","","- C20 H32 N2 O4 -","- C20 H32 N2 O4 -","- C60 H96 N6 O12 -","3","1.5","","Lemmerer, Andreas","Two-Dimensional Hydrogen-Bonding Patterns in a Series of Salts of Terephthalic Acid and the Cyclic Amines CnH2n−1NH2,n= 3, 4, 5, 6, 7, 8, and 12","Crystal Growth & Design","2011","11","2","583","","10.1021/cg101503x","","","0.71073","MoKα","","0.1437","0.09","","","0.2697","0.3121","","","","","","1.073","","","","has coordinates,has disorder","179535","2020-10-21","18:00:00",""
"4500402","11.121","0.001","6.2292","0.0005","16.302","0.0014","90","","102.8","0.004","90","","1101.26","0.16","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","bis(cycloheptylammonium).(terephthalate)","","- C11 H18 N O2 -","- C11 H18 N O2 -","- C44 H72 N4 O8 -","4","1","","Lemmerer, Andreas","Two-Dimensional Hydrogen-Bonding Patterns in a Series of Salts of Terephthalic Acid and the Cyclic Amines CnH2n−1NH2,n= 3, 4, 5, 6, 7, 8, and 12","Crystal Growth & Design","2011","11","2","583","","10.1021/cg101503x","","","0.71073","MoKα","","0.0615","0.0469","","","0.1263","0.1355","","","","","","1.032","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500403","6.5205","0.0009","9.0147","0.0013","11.2738","0.0018","67.047","0.008","74.083","0.008","79.039","0.008","584.22","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","bis(cyclooctylammonium).(terephthalate)","","- C12 H20 N O2 -","- C12 H20 N O2 -","- C24 H40 N2 O4 -","2","1","","Lemmerer, Andreas","Two-Dimensional Hydrogen-Bonding Patterns in a Series of Salts of Terephthalic Acid and the Cyclic Amines CnH2n−1NH2,n= 3, 4, 5, 6, 7, 8, and 12","Crystal Growth & Design","2011","11","2","583","","10.1021/cg101503x","","","0.71073","MoKα","","0.0687","0.0444","","","0.1234","0.1374","","","","","","0.806","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500404","5.4472","0.0001","8.6949","0.0002","16.5626","0.0005","94.434","0.002","93.198","0.002","97.775","0.001","773.17","0.03","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","bis(cyclododecylammonium).(terephthalate)","","- C16 H28 N O2 -","- C16 H28 N O2 -","- C32 H56 N2 O4 -","2","1","","Lemmerer, Andreas","Two-Dimensional Hydrogen-Bonding Patterns in a Series of Salts of Terephthalic Acid and the Cyclic Amines CnH2n−1NH2,n= 3, 4, 5, 6, 7, 8, and 12","Crystal Growth & Design","2011","11","2","583","","10.1021/cg101503x","","","0.71073","MoKα","","0.0462","0.037","","","0.0979","0.103","","","","","","1.055","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500405","8.214","0.001","8.763","0.001","18.791","0.003","80.311","0.001","81.94","0.002","65.782","0.001","1212.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H20 Ag I3 N4 S4 -","- C12 H20 Ag I3 N4 S4 -","- C24 H40 Ag2 I6 N8 S8 -","2","1","","Serpe, Angela; Artizzu, Flavia; Marchiò, Luciano; Mercuri, Maria Laura; Pilia, Luca; Deplano, Paola","Argentophilic Interactions in Mono-, Di-, and Polymeric Ag(I) Complexes withN,N′-Dimethyl-piperazine-2,3-dithione and Iodide","Crystal Growth & Design","2011","11","4","1278","","10.1021/cg1015065","","","0.71073","MoKα","","0.0742","0.0429","","","0.1069","0.1231","","","","","","1.031","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500406","9.328","0.001","15.087","0.001","33.966","0.003","90","","90","","90","","4780.1","0.7","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H20 Ag I3 N4 S4 -","- C12 H20 Ag I3 N4 S4 -","- C96 H160 Ag8 I24 N32 S32 -","8","1","","Serpe, Angela; Artizzu, Flavia; Marchiò, Luciano; Mercuri, Maria Laura; Pilia, Luca; Deplano, Paola","Argentophilic Interactions in Mono-, Di-, and Polymeric Ag(I) Complexes withN,N′-Dimethyl-piperazine-2,3-dithione and Iodide","Crystal Growth & Design","2011","11","4","1278","","10.1021/cg1015065","","","0.71073","MoKα","","0.0405","0.0295","","","0.0668","0.0724","","","","","","1.022","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500407","11.382","0.003","9.242","0.003","11.923","0.004","90","","118.18","0.01","90","","1105.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Ag2 I2 N4 S4 -","- C12 H20 Ag2 I2 N4 S4 -","- C24 H40 Ag4 I4 N8 S8 -","2","0.5","","Serpe, Angela; Artizzu, Flavia; Marchiò, Luciano; Mercuri, Maria Laura; Pilia, Luca; Deplano, Paola","Argentophilic Interactions in Mono-, Di-, and Polymeric Ag(I) Complexes withN,N′-Dimethyl-piperazine-2,3-dithione and Iodide","Crystal Growth & Design","2011","11","4","1278","","10.1021/cg1015065","","","0.71073","MoKα","","0.0324","0.025","","","0.0634","0.066","","","","","","1.002","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500408","7.597","0.001","16.811","0.002","8.875","0.001","90","","96.872","0.005","90","","1125.3","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 Ag2 I2 N4 S4 -","- C12 H20 Ag2 I2 N4 S4 -","- C24 H40 Ag4 I4 N8 S8 -","2","0.5","","Serpe, Angela; Artizzu, Flavia; Marchiò, Luciano; Mercuri, Maria Laura; Pilia, Luca; Deplano, Paola","Argentophilic Interactions in Mono-, Di-, and Polymeric Ag(I) Complexes withN,N′-Dimethyl-piperazine-2,3-dithione and Iodide","Crystal Growth & Design","2011","11","4","1278","","10.1021/cg1015065","","","0.71073","MoKα","","0.0331","0.0251","","","0.0637","0.0676","","","","","","1.016","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500409","8.338","0.001","9.352","0.001","9.884","0.001","104.497","0.001","107.909","0.002","102.916","0.002","671.19","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H10 Ag2 I2 N2 S2 -","- C6 H10 Ag2 I2 N2 S2 -","- C12 H20 Ag4 I4 N4 S4 -","2","1","","Serpe, Angela; Artizzu, Flavia; Marchiò, Luciano; Mercuri, Maria Laura; Pilia, Luca; Deplano, Paola","Argentophilic Interactions in Mono-, Di-, and Polymeric Ag(I) Complexes withN,N′-Dimethyl-piperazine-2,3-dithione and Iodide","Crystal Growth & Design","2011","11","4","1278","","10.1021/cg1015065","","","0.71073","MoKα","","0.0364","0.031","","","0.0749","0.0776","","","","","","1.004","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500410","9.423","0.002","14.624","0.003","11.374","0.003","90","","95.013","0.004","90","","1561.4","0.6","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H52 Cl N6 Ni O6.5 -","- C24 H51 Cl N6 Ni O6.5 -","- C48 H102 Cl2 N12 Ni2 O13 -","2","1","","Ou, Guang-Chuan; Feng, Xiao-Long; Lu, Tong-Bu","pH Values Dependent Helicity of 1D Homochiral Helical Chains","Crystal Growth & Design","2011","11","3","851","","10.1021/cg101515g","","","0.71073","MoKα","","0.0551","0.0416","","","0.0934","0.1003","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500411","9.4346","0.0013","14.612","0.002","11.3735","0.0016","90","","95.137","0.002","90","","1561.6","0.4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H53 Cl N6 Ni O7 -","- C24 H51 Cl N6 Ni O7 -","- C48 H102 Cl2 N12 Ni2 O14 -","2","1","","Ou, Guang-Chuan; Feng, Xiao-Long; Lu, Tong-Bu","pH Values Dependent Helicity of 1D Homochiral Helical Chains","Crystal Growth & Design","2011","11","3","851","","10.1021/cg101515g","","","0.71073","MoKα","","0.0428","0.0369","","","0.0889","0.0927","","","","","","1.039","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500412","12.352","0.002","12.352","0.002","18.238","0.006","90","","90","","90","","2782.6","1.1","173","2","173","2","","","","","","","","6","P 41","P 4w","76","","","","- C22 H48 Cl N5 Ni O6 -","- C22 H48 Cl N5 Ni O6 -","- C88 H192 Cl4 N20 Ni4 O24 -","4","1","","Ou, Guang-Chuan; Feng, Xiao-Long; Lu, Tong-Bu","pH Values Dependent Helicity of 1D Homochiral Helical Chains","Crystal Growth & Design","2011","11","3","851","","10.1021/cg101515g","","","0.71073","MoKα","","0.1027","0.0496","","","0.0891","0.1064","","","","","","0.992","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500413","12.3421","0.001","12.3421","0.001","18.221","0.003","90","","90","","90","","2775.6","0.6","173","2","173","2","","","","","","","","6","P 43","P 4cw","78","","","","- C22 H48 Cl N5 Ni O6 -","- C22 H48 Cl N5 Ni O6 -","- C88 H192 Cl4 N20 Ni4 O24 -","4","1","","Ou, Guang-Chuan; Feng, Xiao-Long; Lu, Tong-Bu","pH Values Dependent Helicity of 1D Homochiral Helical Chains","Crystal Growth & Design","2011","11","3","851","","10.1021/cg101515g","","","0.71073","MoKα","","0.0813","0.0478","","","0.1237","0.1454","","","","","","0.994","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500414","13.0095","0.001","7.0463","0.0006","12.2219","0.0009","90","","115.814","0.001","90","","1008.57","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C48 H48 N4 O8 -","2","0.5","","Collas, Alain; Bagrowska, Izabela; Aleksandrzak, Krzysztof; Zeller, Matthias; Blockhuys, Frank","Competition between Methoxy-Based and Pyrazine-Based Synthons in Methoxy-Substituted Distyrylpyrazines","Crystal Growth & Design","2011","11","4","1299","","10.1021/cg101523f","","","0.71073","MoKα","","0.0569","0.0421","","","0.1134","0.126","","","","","","1.046","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500415","14.118","0.003","9.424","0.002","7.8733","0.0018","90","","90.938","0.005","90","","1047.4","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C48 H48 N4 O8 -","2","0.5","","Collas, Alain; Bagrowska, Izabela; Aleksandrzak, Krzysztof; Zeller, Matthias; Blockhuys, Frank","Competition between Methoxy-Based and Pyrazine-Based Synthons in Methoxy-Substituted Distyrylpyrazines","Crystal Growth & Design","2011","11","4","1299","","10.1021/cg101523f","","","0.71073","MoKα","","0.117","0.0612","","","0.1413","0.174","","","","","","1.047","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500416","4.371","0.002","13.193","0.004","20.695","0.005","90","","98.52","0.03","90","","1180.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N2 O6 -","- C26 H28 N2 O6 -","- C52 H56 N4 O12 -","2","0.5","","Collas, Alain; Bagrowska, Izabela; Aleksandrzak, Krzysztof; Zeller, Matthias; Blockhuys, Frank","Competition between Methoxy-Based and Pyrazine-Based Synthons in Methoxy-Substituted Distyrylpyrazines","Crystal Growth & Design","2011","11","4","1299","","10.1021/cg101523f","","","0.71073","MoKα","","0.1571","0.0483","","","0.1213","0.1557","","","","","","0.994","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500417","8.04","0.002","10.806","0.004","15.268","0.005","90","","117.533","0.019","90","","1176.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N2 O6 -","- C26 H28 N2 O6 -","- C52 H56 N4 O12 -","2","0.5","","Collas, Alain; Bagrowska, Izabela; Aleksandrzak, Krzysztof; Zeller, Matthias; Blockhuys, Frank","Competition between Methoxy-Based and Pyrazine-Based Synthons in Methoxy-Substituted Distyrylpyrazines","Crystal Growth & Design","2011","11","4","1299","","10.1021/cg101523f","","","0.71073","MoKα","","0.2265","0.0736","","","0.1847","0.2494","","","","","","0.933","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500418","4.389","0.004","15.488","0.001","17.215","0.004","90","","103.9","0.03","90","","1136","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 N2 O6 -","- C26 H28 N2 O6 -","- C52 H56 N4 O12 -","2","0.5","","Collas, Alain; Bagrowska, Izabela; Aleksandrzak, Krzysztof; Zeller, Matthias; Blockhuys, Frank","Competition between Methoxy-Based and Pyrazine-Based Synthons in Methoxy-Substituted Distyrylpyrazines","Crystal Growth & Design","2011","11","4","1299","","10.1021/cg101523f","","","0.71073","MoKα","","0.0748","0.0343","","","0.0841","0.1008","","","","","","1.019","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500419","8.3457","0.0004","13.5238","0.0006","14.446","0.0007","101.971","0.004","90.161","0.004","93.658","0.004","1591.53","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","benzene-1,3,5-tricarboxylic acid, 4,4'-Methylene bis(2,6-dimethylaniline)","","- C35 H34 N2 O12 -","- C35 H34 N2 O12 -","- C70 H68 N4 O24 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Guest-Induced Isomerization of Net and Polymorphism in Trimesic Acid‒Arylamine Complexes","Crystal Growth & Design","2011","11","6","2194","","10.1021/cg101531h","","","0.71073","MoKα","","0.1085","0.0545","","","0.1407","0.1538","","","","","","0.885","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500420","8.3651","0.0004","13.7509","0.0005","14.4816","0.0004","90.155","0.003","102.153","0.003","95.522","0.003","1620.44","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","benzene-1,3,5-tricarboxylic acid, 2,6-dimethylaniline, hydrate","","- C17 H19 N O7 -","- C17 H19 N O7 -","- C68 H76 N4 O28 -","4","2","","Bhattacharya, Suman; Saha, Binoy K.","Guest-Induced Isomerization of Net and Polymorphism in Trimesic Acid‒Arylamine Complexes","Crystal Growth & Design","2011","11","6","2194","","10.1021/cg101531h","","","0.71073","MoKα","","0.0753","0.0473","","","0.1094","0.1221","","","","","","1.009","","","","has coordinates,has disorder","179535","2020-10-21","18:00:00",""
"4500421","5.1537","0.0003","16.5753","0.0013","16.4182","0.0012","102.806","0.007","96.918","0.006","95.858","0.006","1345.6","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","benzene-1,3,5-tricarboxylic acid, 4,4'-Methylene bis(2,6-dimethylaniline), ethanol","benzene-1,3,5-tricarboxylic acid, 4,4'-Methylene bis(2,6-dimethylaniline), ethanol","","- C28 H34 N2 O7 -","- C28 H34 N2 O7 -","- C56 H68 N4 O14 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Guest-Induced Isomerization of Net and Polymorphism in Trimesic Acid‒Arylamine Complexes","Crystal Growth & Design","2011","11","6","2194","","10.1021/cg101531h","","","0.71073","MoKα","","0.1148","0.0758","","","0.1989","0.2327","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500422","4.8205","0.0006","16.355","0.002","17.304","0.003","107.516","0.013","92.098","0.011","94.317","0.01","1294.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","benzene-1,3,5-tricarboxylic acid, 4,4'-Methylene bis(2,6-dimethylaniline), methanol","benzene-1,3,5-tricarboxylic acid, 4,4'-Methylene bis(2,6-dimethylaniline), methanol","","- C27 H32 N2 O7 -","- C27 H32 N2 O7 -","- C54 H64 N4 O14 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Guest-Induced Isomerization of Net and Polymorphism in Trimesic Acid‒Arylamine Complexes","Crystal Growth & Design","2011","11","6","2194","","10.1021/cg101531h","","","0.71073","MoKα","","0.1529","0.0781","","","0.1974","0.2503","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500423","8.2723","0.0007","8.5069","0.0005","18.6062","0.001","85.719","0.004","86.79","0.005","75.736","0.006","1264.48","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","benzene-1,3,5-tricarboxylic acid, 4,4'-Methylene bis(2,6-dimethylaniline), methanol","benzene-1,3,5-tricarboxylic acid, 4,4'-Methylene bis(2,6-dimethylaniline), methanol","","- C27 H32 N2 O7 -","- C27 H32 N2 O7 -","- C54 H64 N4 O14 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Guest-Induced Isomerization of Net and Polymorphism in Trimesic Acid‒Arylamine Complexes","Crystal Growth & Design","2011","11","6","2194","","10.1021/cg101531h","","","0.71073","MoKα","","0.0877","0.0577","","","0.1846","0.1952","","","","","","1.043","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500424","17.6","0.003","8.2122","0.0005","14.321","0.003","90","","132.78","0.03","90","","1519.2","0.8","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","4,4'-Methylene bis(2,6-dimethylaniline)","4,4'-Methylene bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C68 H88 N8 -","4","0.5","","Bhattacharya, Suman; Saha, Binoy K.","Guest-Induced Isomerization of Net and Polymorphism in Trimesic Acid‒Arylamine Complexes","Crystal Growth & Design","2011","11","6","2194","","10.1021/cg101531h","","","0.71073","MoKα","","0.118","0.0826","","","0.2998","0.3262","","","","","","1.191","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500425","8.255","0.002","9.132","0.002","11.431","0.003","93.69","0.02","110.27","0.02","108.08","0.02","754","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","4,4'-Methylene bis(2,6-dimethylaniline)","4,4'-Methylene bis(2,6-dimethylaniline)","","- C17 H22 N2 -","- C17 H22 N2 -","- C34 H44 N4 -","2","1","","Bhattacharya, Suman; Saha, Binoy K.","Guest-Induced Isomerization of Net and Polymorphism in Trimesic Acid‒Arylamine Complexes","Crystal Growth & Design","2011","11","6","2194","","10.1021/cg101531h","","","0.71073","MoKα","","0.0919","0.062","","","0.2146","0.2293","","","","","","1.122","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500426","16.394","0.006","4.859","0.0015","18.591","0.007","90","","98.34","0.05","90","","1465.3","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Co N4 O2 -","- C14 H12 Co N4 O2 -","- C56 H48 Co4 N16 O8 -","4","0.5","","De la Pinta, Noelia; Fidalgo, M. Luz; Lezama, Luis; Madariaga, Gotzon; Callejo, Lorena; Cortés, Roberto","Ferromagnetic End-to-End Azides and Tetrahedral Cobalt: Unusual Findings in the M-BPA-Pseudohalide2System","Crystal Growth & Design","2011","11","4","1310","","10.1021/cg1015324","","","0.71069","MoKα","","0.1087","0.0357","","","","0.0669","","","","","","0.804","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500427","9.993","0.008","13.395","0.009","10.502","0.006","90","","106.04","0.06","90","","1351","1.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Cu N8 -","- C12 H12 Cu N8 -","- C48 H48 Cu4 N32 -","4","1","","De la Pinta, Noelia; Fidalgo, M. Luz; Lezama, Luis; Madariaga, Gotzon; Callejo, Lorena; Cortés, Roberto","Ferromagnetic End-to-End Azides and Tetrahedral Cobalt: Unusual Findings in the M-BPA-Pseudohalide2System","Crystal Growth & Design","2011","11","4","1310","","10.1021/cg1015324","","","0.71073","MoKα","","0.0943","0.0397","","","","0.1136","","","","","","1.004","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500428","10.2023","0.0004","16.4489","0.0007","7.4756","0.0003","90","","102.316","0.002","90","","1225.66","0.09","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 Ca O10 -","- C9 H12 Ca O10 -","- C36 H48 Ca4 O40 -","4","1","","Borah, Ballav Moni; Dey, Sandeep Kumar; Das, Gopal","Crystal to Calcite: Fabrication of Pure Calcium Carbonate Polymorph in the Solid State","Crystal Growth & Design","2011","11","7","2773","","10.1021/cg101534n","","","0.71073","MoKα","","0.081","0.0731","","","0.2037","0.2096","","","","","","1.006","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500429","5.0255","0.0013","6.8219","0.0013","12.196","0.003","89.254","0.007","80.804","0.007","79.282","0.005","405.49","0.16","100","2","100","","","","","","","","see text","4","P -1","-P 1","2","4-(acetylamino)-benzoic acid","","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C18 H18 N2 O6 -","2","1","","Hathwar, Venkatesha R.; Thakur, Tejender S.; Row, Tayur N. Guru; Desiraju, Gautam R.","Transferability of Multipole Charge Density Parameters for Supramolecular Synthons: A New Tool for Quantitative Crystal Engineering","Crystal Growth & Design","2011","11","2","616","","10.1021/cg101540y","","x-ray","0.71075","MoKα","","0.0502","0.0407","","","0.112","0.1177","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500430","11.662","0.001","9.4694","0.0008","7.3997","0.0006","90","","106.559","0.007","90","","783.27","0.12","100","2","100","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","1-Acetamido-4-methylbenzene","","","- C9 H11 N O -","- C9 H11 N O -","- C36 H44 N4 O4 -","4","1","","Hathwar, Venkatesha R.; Thakur, Tejender S.; Row, Tayur N. Guru; Desiraju, Gautam R.","Transferability of Multipole Charge Density Parameters for Supramolecular Synthons: A New Tool for Quantitative Crystal Engineering","Crystal Growth & Design","2011","11","2","616","","10.1021/cg101540y","","x-ray","0.71075","MoKα","","0.0509","0.0401","","","0.0955","0.1008","","","","","","1.08","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500431","5.0299","0.0002","6.831","0.0003","12.1945","0.0005","89.227","0.002","80.846","0.002","79.318","0.002","406.43","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","p-acetamidobenzoic acid","","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C18 H18 N2 O6 -","2","1","","Hathwar, Venkatesha R.; Thakur, Tejender S.; Row, Tayur N. Guru; Desiraju, Gautam R.","Transferability of Multipole Charge Density Parameters for Supramolecular Synthons: A New Tool for Quantitative Crystal Engineering","Crystal Growth & Design","2011","11","2","616","","10.1021/cg101540y","","x-ray","0.71073","MoKα","","0.035","0.018","","","","0.042","0.022","","","","","1.161","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500432","3.876","0.0003","10.9298","0.0009","16.62","0.001","90","","93.383","0.004","90","","702.86","0.09","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","p-methoxy benzoic acid","","","- C8 H8 O3 -","- C8 H8 O3 -","- C32 H32 O12 -","4","1","","Hathwar, Venkatesha R.; Thakur, Tejender S.; Row, Tayur N. Guru; Desiraju, Gautam R.","Transferability of Multipole Charge Density Parameters for Supramolecular Synthons: A New Tool for Quantitative Crystal Engineering","Crystal Growth & Design","2011","11","2","616","","10.1021/cg101540y","","x-ray","0.71073","MoKα","","0.037","0.018","","","","0.041","0.022","","","","","1.042","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500433","7.2832","0.0003","7.4255","0.0003","7.81","0.0003","96.067","0.002","108.353","0.002","117.701","0.002","338.6","0.03","100","2","100","2","","","","","","","","3","P -1","-P 1","2","p-methyl benzoic acid","","","- C8 H8 O2 -","- C8 H8 O2 -","- C16 H16 O4 -","2","1","","Hathwar, Venkatesha R.; Thakur, Tejender S.; Row, Tayur N. Guru; Desiraju, Gautam R.","Transferability of Multipole Charge Density Parameters for Supramolecular Synthons: A New Tool for Quantitative Crystal Engineering","Crystal Growth & Design","2011","11","2","616","","10.1021/cg101540y","","x-ray","0.71073","MoKα","","0.034","0.021","","","","0.06","0.028","","","","","1.917","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500434","9.371","0.0009","7.7868","0.0008","19.53","0.002","90","","90","","90","","1425.1","0.2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","acetanilide","","","- C8 H9 N O -","- C8 H9 N O -","- C64 H72 N8 O8 -","8","1","","Hathwar, Venkatesha R.; Thakur, Tejender S.; Row, Tayur N. Guru; Desiraju, Gautam R.","Transferability of Multipole Charge Density Parameters for Supramolecular Synthons: A New Tool for Quantitative Crystal Engineering","Crystal Growth & Design","2011","11","2","616","","10.1021/cg101540y","","x-ray","0.71073","MoKα","","0.067","0.025","","","","0.042","0.028","","","","","1.314","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500435","8.8802","0.0016","10.421","0.0018","35.019","0.006","90","","97.228","0.003","90","","3214.9","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Mg O8 -","- C14 H18 Mg O8 -","- C112 H144 Mg8 O64 -","8","2","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.8463","synchrotron","","0.1163","0.0894","","","0.2131","0.23","","","","","","1.032","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500436","11.8003","0.0004","7.1674","0.0002","15.7364","0.0005","90","","99.998","0.002","90","","1310.73","0.07","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H12 O5 Sr -","- C14 H12 O5 Sr -","- C56 H48 O20 Sr4 -","4","2","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0856","0.0582","","","0.1248","0.1375","","","","","","1.007","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500437","7.598","0.0003","12.9258","0.0005","30.7127","0.0014","90","","94.956","0.002","90","","3005","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Ba O6 -","- C14 H14 Ba O6 -","- C112 H112 Ba8 O48 -","8","2","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0573","0.035","","","0.0838","0.0988","","","","","","1.202","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500438","7.281","0.0005","6.6002","0.0004","14.6587","0.0009","90","","99.973","0.003","90","","693.79","0.08","120","2","120","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H12 F2 Mg O6 -","- C14 H12 F2 Mg O6 -","- C28 H24 F4 Mg2 O12 -","2","0.5","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.067","0.0547","","","0.1131","0.1191","","","","","","1.096","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500439","6.7231","0.0003","7.4076","0.0003","16.622","0.001","82.951","0.004","89.38","0.004","84.302","0.004","817.49","0.07","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H17.48 F2 O8.74 Sr -","- C14 H14 F2 O8.74 Sr -","- C28 H28 F4 O17.48 Sr2 -","2","1","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0886","0.0814","","","0.2213","0.2265","","","","","","1.047","","","","has coordinates,has disorder","179535","2020-10-21","18:00:00",""
"4500440","10.3942","0.0005","7.7929","0.0005","16.1632","0.001","90","","103.679","0.004","90","","1272.1","0.13","120","2","120","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H8 Ba F2 O4 -","- C14 H8 Ba F2 O4 -","- C56 H32 Ba4 F8 O16 -","4","1","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0449","0.0393","","","0.1058","0.1113","","","","","","1.06","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500441","39.806","0.0018","10.387","0.0005","8.848","0.0004","90","","91.039","0.002","90","","3657.7","0.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Cl2 Mg O8 -","- C14 H16 Cl2 Mg O8 -","- C112 H128 Cl16 Mg8 O64 -","8","1","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.1489","0.0637","","","0.085","0.1075","","","","","","1.089","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500442","6.5797","0.0009","34.867","0.005","7.1797","0.0011","90","","93.184","0.005","90","","1644.6","0.4","120","2","120","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C14 H14 Ca Cl2 O7 -","- C14 H14 Ca Cl2 O7 -","- C56 H56 Ca4 Cl8 O28 -","4","1","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.1004","0.0706","","","0.175","0.2015","","","","","","1.069","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500443","6.78","0.0002","7.5071","0.0002","17.5087","0.0005","81.9304","0.0014","89.785","0.0015","83.9229","0.0016","877.32","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Cl2 O8 Sr -","- C14 H16 Cl2 O8 Sr -","- C28 H32 Cl4 O16 Sr2 -","2","1","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0606","0.0555","","","0.1328","0.1353","","","","","","1.202","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500444","7.0487","0.0005","7.6124","0.0005","17.3085","0.0014","80.425","0.006","89.215","0.006","82.281","0.006","907.46","0.12","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Ba Cl2 O8 -","- C14 H16 Ba Cl2 O8 -","- C28 H32 Ba2 Cl4 O16 -","2","1","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0662","0.0604","","","0.1536","0.1569","","","","","","1.03","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500445","6.607","0.002","13.075","0.003","18.444","0.004","90","","90","","90","","1593.3","0.7","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Ca N2 O6 -","- C14 H16 Ca N2 O6 -","- C56 H64 Ca4 N8 O24 -","4","1","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.1372","0.0932","","","0.2044","0.2358","","","","","","1.086","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500446","33.755","0.002","12.908","0.002","7.542","0.002","90","","96.02","0.02","90","","3268","1","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16.9 Ba N2 O6.45 -","- C14 H16 Ba N2 O6.45 -","- C112 H128 Ba8 N16 O51.6 -","8","1","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.7107","MoKα","","0.047","0.0303","","","0.0691","0.0769","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500447","13.8735","0.0006","14.1004","0.0005","14.0354","0.0006","86.534","0.002","62.119","0.002","62.583","0.002","2111.94","0.16","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H24 Mg N2 O16 -","- C14 H24 Mg N2 O16 -","- C56 H96 Mg4 N8 O64 -","4","2","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0921","0.0454","","","0.111","0.135","","","","","","1.03","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500448","15.093","0.002","9.949","0.0005","15.713","0.002","90","","94.767","0.002","90","","2351.3","0.4","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H26 Ca N2 O17 -","- C14 H26 Ca N2 O17 -","- C56 H104 Ca4 N8 O68 -","4","2","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0774","0.046","","","0.0825","0.0956","","","","","","1.064","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500449","6.6527","0.0006","11.1343","0.001","31.494","0.003","90","","94.882","0.004","90","","2324.4","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 N2 O17 Sr -","- C14 H26 N2 O17 Sr -","- C56 H104 N8 O68 Sr4 -","4","1","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.1245","0.0541","","","0.0832","0.1063","","","","","","1.045","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500450","6.528","0.0002","10.657","0.0003","28.3021","0.0005","90","","91.156","0.001","90","","1968.55","0.09","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Ba N2 O13 -","- C14 H18 Ba N2 O13 -","- C56 H72 Ba4 N8 O52 -","4","1","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0573","0.0316","","","0.0534","0.0595","","","","","","1.003","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500451","9.2329","0.0002","10.039","0.0003","15.686","0.0005","101.056","0.001","98.483","0.002","99.498","0.002","1383.06","0.07","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 Ba O7 -","- C14 H12 Ba O7 -","- C56 H48 Ba4 O28 -","4","2","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0421","0.0253","","","0.0436","0.0477","","","","","","1.035","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500452","5.2497","0.0005","7.6168","0.0008","11.7111","0.0013","81.763","0.004","78.428","0.005","73.836","0.005","438.72","0.08","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Mg N2 O12 -","- C14 H16 Mg N2 O12 -","- C14 H16 Mg N2 O12 -","1","0.5","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0487","0.0369","","","0.0896","0.0956","","","","","","1.065","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500453","7.7232","0.0002","10.1673","0.0003","11.1947","0.0003","81.353","0.001","82.231","0.002","89.441","0.002","861.03","0.04","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 Ca N2 O10 -","- C14 H12 Ca N2 O10 -","- C28 H24 Ca2 N4 O20 -","2","1","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0408","0.0294","","","0.0633","0.0674","","","","","","1.05","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500454","4.0818","0.0003","31.856","0.002","6.8","0.004","90","","94.378","0.003","90","","881.6","0.5","123","2","123","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H16 N2 O12 Sr -","- C14 H16 N2 O12 Sr -","- C28 H32 N4 O24 Sr2 -","2","0.5","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0976","0.0721","","","0.1605","0.1727","","","","","","1.172","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500455","8.2858","0.0002","8.3482","0.0001","13.8501","0.0003","80.492","0.001","85.986","0.001","71.065","0.001","893.6","0.03","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Ba N2 O11 -","- C14 H14 Ba N2 O11 -","- C28 H28 Ba2 N4 O22 -","2","1","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0174","0.015","","","0.0329","0.0336","","","","","","1.113","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500456","14.9499","0.0006","8.8062","0.0004","22.3285","0.0009","90","","104.359","0.003","90","","2847.8","0.2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 Ca N2 O6.5 -","- C14 H13 Ca N2 O6.5 -","- C112 H104 Ca8 N16 O52 -","8","2","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.1066","0.0465","","","0.0807","0.0988","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500457","15.146","0.001","9.022","0.0006","22.492","0.001","90","","105.794","0.001","90","","2957.4","0.3","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N2 O6.5 Sr -","- C14 H13 N2 O6.5 Sr -","- C112 H104 N16 O52 Sr8 -","8","2","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71073","MoKα","","0.0938","0.0476","","","0.0762","0.0885","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500458","13.02","0.0004","4.322","0.0001","15.3326","0.0005","90","","104.74","0.001","90","","834.41","0.04","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 Ba N2 O9 -","- C14 H18 Ba N2 O9 -","- C28 H36 Ba2 N4 O18 -","2","1","","Arlin, Jean-Baptiste; Florence, Alastair J.; Johnston, Andrea; Kennedy, Alan R.; Miller, Gary J.; Patterson, Kirsty","Systematic Data Set for Structure−Property Investigations: Solubility and Solid-State Structure of Alkaline Earth Metal Salts of Benzoates","Crystal Growth & Design","2011","11","4","1318","","10.1021/cg101547r","","","0.71069","MoKα","","0.0313","0.0243","","","0.0416","0.0444","","","","","","1.071","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500459","10.278","0.0004","12.0006","0.0003","21.9936","0.0006","90","","95.19","0.003","90","","2701.62","0.15","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Br4 N4 O4 S -","- C21 H26 Br4 N4 O4 S -","- C84 H104 Br16 N16 O16 S4 -","4","1","","Lü, Jian; Han, Li-Wei; Lin, Jing-Xiang; Cao, Rong","Organic Complexes Built by Halogenated Molecules: Unexpectedin SituC‒N Bond Formation in Metal-Free Solvothermal Conditions","Crystal Growth & Design","2011","11","6","2035","","10.1021/cg101550w","","","0.71073","MoKα","","0.0709","0.0491","","","0.1446","0.1748","","","","","","1.012","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500460","15.8417","0.0006","15.8417","0.0006","19.1079","0.0013","90","","90","","90","","4795.3","0.4","293","2","293","2","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C17.5 H22 Br4 N2 O5.5 S -","- C17.5 H16 Br4 N2 O5.5 S -","- C140 H128 Br32 N16 O44 S8 -","8","1","","Lü, Jian; Han, Li-Wei; Lin, Jing-Xiang; Cao, Rong","Organic Complexes Built by Halogenated Molecules: Unexpectedin SituC‒N Bond Formation in Metal-Free Solvothermal Conditions","Crystal Growth & Design","2011","11","6","2035","","10.1021/cg101550w","","","0.71073","MoKα","","0.0797","0.0618","","","0.1717","0.1884","","","","","","1.154","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500461","10.3884","0.0004","11.4896","0.0003","21.6902","0.0006","90","","94.662","0.003","90","","2580.35","0.14","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Cl4 N4 O4 S -","- C21 H26 Cl4 N4 O4 S -","- C84 H104 Cl16 N16 O16 S4 -","4","1","","Lü, Jian; Han, Li-Wei; Lin, Jing-Xiang; Cao, Rong","Organic Complexes Built by Halogenated Molecules: Unexpectedin SituC‒N Bond Formation in Metal-Free Solvothermal Conditions","Crystal Growth & Design","2011","11","6","2035","","10.1021/cg101550w","","","0.71073","MoKα","","0.0779","0.0501","","","0.14","0.1467","","","","","","1.112","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500462","15.543","0.003","15.543","0.003","19.21","0.005","90","","90","","90","","4640.8","1.8","293","2","293","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C17.5 H22 Cl4 N2 O5.5 S -","- C17.5 H16 Cl4 N2 O5.5 S -","- C140 H128 Cl32 N16 O44 S8 -","8","1","","Lü, Jian; Han, Li-Wei; Lin, Jing-Xiang; Cao, Rong","Organic Complexes Built by Halogenated Molecules: Unexpectedin SituC‒N Bond Formation in Metal-Free Solvothermal Conditions","Crystal Growth & Design","2011","11","6","2035","","10.1021/cg101550w","","","0.71073","MoKα","","0.0604","0.0541","","","0.1673","0.1819","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500463","13.658","0.003","9.837","0.002","13.586","0.003","90","","92.64","0.03","90","","1823.4","0.7","200","0.2","200","0.2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Ca2 N2 O11 -","- C14 H12 Ca2 N2 O11 -","- C56 H48 Ca8 N8 O44 -","4","0.5","","Kim, Min Kyung; Bae, Kyung-Lyul; Ok, Kang Min","From Pincers to Steps: Synthesis, Structure, Characterization, and Transformation of a New Helical Calcium−Organic Framework, Ca[NC5H3(CO2)2](H2O)1.5","Crystal Growth & Design","2011","11","4","930","","10.1021/cg101558e","","","0.71073","MoKα","","0.1128","0.0497","","","0.0906","0.1394","","","","","","1.152","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500464","5.8693","0.0012","17.848","0.004","9.897","0.002","90","","98.62","0.03","90","","1025.1","0.4","200","0.2","200","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 Ca N O7 -","- C7 H9 Ca N O7 -","- C28 H36 Ca4 N4 O28 -","4","1","","Kim, Min Kyung; Bae, Kyung-Lyul; Ok, Kang Min","From Pincers to Steps: Synthesis, Structure, Characterization, and Transformation of a New Helical Calcium−Organic Framework, Ca[NC5H3(CO2)2](H2O)1.5","Crystal Growth & Design","2011","11","4","930","","10.1021/cg101558e","","","0.71073","MoKα","","0.0769","0.0442","","","0.0927","0.1163","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500465","11.967","0.0003","11.967","0.0003","28.6669","0.0007","90","","90","","90","","4105.36","0.18","173","2","173","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C18 H11 Ag4 N O8 -","- C18 H11 Ag4 N O8 -","- C144 H88 Ag32 N8 O64 -","8","0.5","","Sun, Di; Wei, Zhan-Hua; Wang, Dan-Feng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Acetonitrile-Templated Assembly of a Laminar Silver(I) Phthalate Coordination Polymer","Crystal Growth & Design","2011","11","5","1427","","10.1021/cg101562p","","","0.71073","MoKα","","0.0399","0.033","","","0.0834","0.0865","","","","","","1.082","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500466","11.87","0.002","6.5949","0.0013","12.665","0.003","90","","108","0.03","90","","942.9","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Ag2 O5 -","- C8 H6 Ag2 O5 -","- C32 H24 Ag8 O20 -","4","1","","Sun, Di; Wei, Zhan-Hua; Wang, Dan-Feng; Zhang, Na; Huang, Rong-Bin; Zheng, Lan-Sun","Acetonitrile-Templated Assembly of a Laminar Silver(I) Phthalate Coordination Polymer","Crystal Growth & Design","2011","11","5","1427","","10.1021/cg101562p","","","0.71073","MoKα","","0.031","0.0293","","","0.0714","0.0756","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500467","13.144","0.003","13.454","0.003","31.573","0.006","90","","90","","90","","5583","2","301","2","301","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","Temazepam","7-Chloro-1,3-dihydro-3-hydroxy-1-methyl-5-phenyl-2H-1,4-benzodiazepin-2-one","","- C16 H13 Cl N2 O2 -","- C16 H13 Cl N2 O2 -","- C256 H208 Cl16 N32 O32 -","16","2","","Jetti, Ram K. R.; Bhogala, Balakrishna R.; Gorantla, Asha R.; Karusula, Nageswara R.; Datta, Debashish","Structural and Thermodynamic Features of Three Stable Crystal Forms of Temazepam: A Sedative Drug","Crystal Growth & Design","2011","11","6","2039","","10.1021/cg1015675","","","0.71073","MoKα","","0.056","0.0452","","","0.0993","0.1054","","","","","","1.117","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500468","9.789","0.002","12.235","0.002","13.586","0.003","101.6","0.03","104.53","0.03","98.76","0.03","1507.3","0.6","295","2","295","2","","","","","","","","5","P -1","-P 1","2","Temazepam","7-Chloro-1,3-dihydro-3-hydroxy-1-methyl-5-phenyl-2H-1,4-benzodiazepin- 2-one","","- C16 H13 Cl N2 O2 -","- C16 H13 Cl N2 O2 -","- C64 H52 Cl4 N8 O8 -","4","2","","Jetti, Ram K. R.; Bhogala, Balakrishna R.; Gorantla, Asha R.; Karusula, Nageswara R.; Datta, Debashish","Structural and Thermodynamic Features of Three Stable Crystal Forms of Temazepam: A Sedative Drug","Crystal Growth & Design","2011","11","6","2039","","10.1021/cg1015675","","","0.71073","MoKα","","0.0935","0.0707","","","0.1932","0.2262","","","","","","1.063","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500469","7.227","0.003","23.701","0.011","3.6999","0.0016","90","","90","","90","","633.7","0.5","296","2","296","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C6 H6 N O3.5 -","- C6 H6 N O3.5 -","- C24 H24 N4 O14 -","4","1","","Matias, Elisa P.; Bernardes, Carlos E. S.; Piedade, M. Fátima M.; Minas da Piedade, Manuel E.","A Robust yet Metastable New Hemihydrate of 4-Hydroxynicotinic Acid","Crystal Growth & Design","2011","11","7","2803","","10.1021/cg1015687","","","0.71073","MoKα","","0.0718","0.0465","","","0.1077","0.1188","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500470","25.117","0.011","26.607","0.012","17.479","0.008","90","","90","","90","","11681","9","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C44 H34 N6 O29 Zn7 -","- C44 H24 N6 O29 Zn7 -","- C176 H96 N24 O116 Zn28 -","4","1","","Ling, Yun; Chen, Zhenxia; Zheng, Hua; Zhou, Yaming; Weng, Linhong; Zhao, Dongyuan","Two Novel Zinc(II) Metal‒Organic Frameworks Based on Triazole-Carboxylate Shared Paddle-Wheel Units: Synthesis, Structure, and Gas Adsorption","Crystal Growth & Design","2011","11","7","2811","","10.1021/cg101569a","","","0.71073","MoKα","","0.1606","0.0851","","","0.2212","0.2728","","","","","","1.01","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500471","19.379","0.008","14.639","0.006","19.484","0.007","90","","116.046","0.006","90","","4966","3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C48 H39 N9 O27 Zn6 -","- C48 H30 N9 O27 Zn6 -","- C96 H60 N18 O54 Zn12 -","2","1","","Ling, Yun; Chen, Zhenxia; Zheng, Hua; Zhou, Yaming; Weng, Linhong; Zhao, Dongyuan","Two Novel Zinc(II) Metal‒Organic Frameworks Based on Triazole-Carboxylate Shared Paddle-Wheel Units: Synthesis, Structure, and Gas Adsorption","Crystal Growth & Design","2011","11","7","2811","","10.1021/cg101569a","","","0.71073","MoKα","","0.1056","0.0797","","","0.2406","0.2613","","","","","","1.035","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500472","9.5194","0.0007","13.0361","0.0009","31.562","0.002","80.674","0.006","85.783","0.005","68.813","0.006","3603.2","0.5","120","1","120","1","","","","","","","see text","4","P -1","-P 1","2","","2,2'-((9,9-butyl-9H-fluorene-2,7-diyl)bis(4,1 phenylene))bisbenzo[d]thiazole","","- C188 H140 N8 S8 -","- C188 H140 N8 S8 -","- C188 H140 N8 S8 -","1","0.5","","Dikundwar, Amol G.; Dutta, Gitish K.; Guru Row, Tayur N.; Patil, Satish","Polymorphism in Opto-Electronic Materials with a Benzothiazole-fluorene Core: A Consequence of High Conformational Flexibility of π-Conjugated Backbone and Alkyl Side Chains","Crystal Growth & Design","2011","11","5","1615","","10.1021/cg101579f","","x-ray","0.71073","MoKα","","0.2699","0.1691","","","0.4088","0.4643","","","","","","1.29","","","","has coordinates,has disorder","179535","2020-10-21","18:00:00",""
"4500473","17.9801","0.0007","14.3419","0.0005","14.8689","0.0007","90","","109.381","0.005","90","","3617","0.3","120","1","120","1","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","2,2'-((9,9-butyl-9H-fluorene-2,7-diyl)bis(4,1 phenylene))bisbenzo[d]thiazole","","- C47 H40 N2 S2 -","- C47 H40 N2 S2 -","- C188 H160 N8 S8 -","4","1","","Dikundwar, Amol G.; Dutta, Gitish K.; Guru Row, Tayur N.; Patil, Satish","Polymorphism in Opto-Electronic Materials with a Benzothiazole-fluorene Core: A Consequence of High Conformational Flexibility of π-Conjugated Backbone and Alkyl Side Chains","Crystal Growth & Design","2011","11","5","1615","","10.1021/cg101579f","","x-ray","0.71073","MoKα","","0.093","0.0639","","","0.15","0.167","","","","","","1.061","","","","has coordinates,has disorder","179535","2020-10-21","18:00:00",""
"4500474","16.2922","0.0008","17.2859","0.0008","17.3329","0.0006","88.728","0.003","66.285","0.004","80.992","0.004","4409.6","0.4","120","1","120","1","","","","","","","see text","4","P -1","-P 1","2","","2,2'-((octyl-9H-fluorene-2,7-diyl)bis(4,1 phenylene))bisbenzo[d]thiazole","","- C55 H56 N2 S2 -","- C55 H56 N2 S2 -","- C220 H224 N8 S8 -","4","2","","Dikundwar, Amol G.; Dutta, Gitish K.; Guru Row, Tayur N.; Patil, Satish","Polymorphism in Opto-Electronic Materials with a Benzothiazole-fluorene Core: A Consequence of High Conformational Flexibility of π-Conjugated Backbone and Alkyl Side Chains","Crystal Growth & Design","2011","11","5","1615","","10.1021/cg101579f","","x-ray","0.71073","MoKα","","0.159","0.0733","","","0.1089","0.1383","","","","","","0.933","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500475","8.2872","0.0004","14.9135","0.0009","17.9141","0.001","88.609","0.005","88.098","0.004","86.185","0.005","2207.4","0.2","295","1","295","1","","","","","","","see text","4","P -1","-P 1","2","","2,2'-((octyl-9H-fluorene-2,7-diyl)bis(4,1 phenylene))bisbenzo[d]thiazole","","- C55 H56 N2 S2 -","- C55 H56 N2 S2 -","- C110 H112 N4 S4 -","2","1","","Dikundwar, Amol G.; Dutta, Gitish K.; Guru Row, Tayur N.; Patil, Satish","Polymorphism in Opto-Electronic Materials with a Benzothiazole-fluorene Core: A Consequence of High Conformational Flexibility of π-Conjugated Backbone and Alkyl Side Chains","Crystal Growth & Design","2011","11","5","1615","","10.1021/cg101579f","","x-ray","0.71073","MoKα","","0.1163","0.0597","","","0.1051","0.1306","","","","","","0.983","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500476","7.01","0.005","7.988","0.004","9.281","0.005","86.344","0.005","83.185","0.005","69.55","0.003","483.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 Co N10 O8 -","- C14 H20 Co N10 O8 -","- C14 H20 Co N10 O8 -","1","0.5","","Mishra, Ashutosh Kumar; Kumar, Jitendra; Khanna, Shruti; Verma, Sandeep","Crystallographic Signatures of Cobalt Coordination with Modified Adenine Nucleobase Containing Carboxyl Group Pendants","Crystal Growth & Design","2011","11","5","1623","","10.1021/cg101581g","","","0.71069","MoKα","","0.0911","0.0634","","","0.1495","0.2147","","","","","","1.18","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500477","7.937","0.003","12.11","0.004","12.301","0.004","90","","99.007","0.002","90","","1167.8","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","9-carboxypropyladenine cobalt complex","","","- C16 H28 Co N10 O10 -","- C16 H28 Co N10 O10 -","- C32 H56 Co2 N20 O20 -","2","0.5","","Mishra, Ashutosh Kumar; Kumar, Jitendra; Khanna, Shruti; Verma, Sandeep","Crystallographic Signatures of Cobalt Coordination with Modified Adenine Nucleobase Containing Carboxyl Group Pendants","Crystal Growth & Design","2011","11","5","1623","","10.1021/cg101581g","","","0.71073","MoKα","","0.0966","0.0536","","","0.1126","0.1763","","","","","","1.154","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500478","8.451","0.003","9.032","0.004","13.264","0.005","79.914","0.006","89.183","0.007","81.247","0.007","985.1","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 Co N10 O5 -","- C17 H18 Co N10 O5 -","- C34 H36 Co2 N20 O10 -","2","1","","Mishra, Ashutosh Kumar; Kumar, Jitendra; Khanna, Shruti; Verma, Sandeep","Crystallographic Signatures of Cobalt Coordination with Modified Adenine Nucleobase Containing Carboxyl Group Pendants","Crystal Growth & Design","2011","11","5","1623","","10.1021/cg101581g","","","0.71073","MoKα","","0.0858","0.0639","","","0.1664","0.2237","","","","","","1.104","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500479","3.7321","0.0001","7.7308","0.0002","12.0995","0.0004","77.092","0.002","85.07","0.002","76.459","0.002","330.607","0.017","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2-chloro-4-fluoro benzoic acid","","","- C7 H4 Cl F O2 -","- C7 H4 Cl F O2 -","- C14 H8 Cl2 F2 O4 -","2","1","","Hathwar, Venkatesha R.; Guru Row, Tayur N.","Charge Density Analysis of Heterohalogen (Cl···F) and Homohalogen (F···F) Intermolecular Interactions in Molecular Crystals: Importance of the Extent of Polarizability","Crystal Growth & Design","2011","11","4","1338","","10.1021/cg1015862","","x-ray","0.71073","MoKα","","","0.012","","","","0.0306","0.0208","","","","","0.974","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500480","8.8715","0.0003","7.6301","0.0003","9.6077","0.0003","90","","92.576","0.002","90","","649.69","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4-fluoro benzamide","","","- C7 H6 F N O -","- C7 H6 F N O -","- C28 H24 F4 N4 O4 -","4","1","","Hathwar, Venkatesha R.; Guru Row, Tayur N.","Charge Density Analysis of Heterohalogen (Cl···F) and Homohalogen (F···F) Intermolecular Interactions in Molecular Crystals: Importance of the Extent of Polarizability","Crystal Growth & Design","2011","11","4","1338","","10.1021/cg1015862","","x-ray","0.71073","MoKα","","","0.0193","","","","0.0451","0.022","","","","","1.167","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500481","10.3197","0.001","19.6947","0.0019","11.0388","0.0011","90","","112.798","0.002","90","","2068.3","0.4","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 Cu N5 O7 S -","- C17 H20 Cu N5 O7 S -","- C68 H80 Cu4 N20 O28 S4 -","4","1","","Kathalikkattil, Amal Cherian; Bisht, Kamal Kumar; Aliaga-Alcalde, Núria; Suresh, Eringathodi","Synthesis, Magnetic Properties, and Structural Investigation of Mixed-Ligand Cu(II) Helical Coordination Polymers with an Amino Acid Backbone and N-Donor Propping: 1-D Helical, 2-D Hexagonal Net (hcb), and 3-DinsTopologies","Crystal Growth & Design","2011","11","5","1631","","10.1021/cg101587h","","","0.71073","MoKα","","0.0956","0.0831","","","0.1619","0.1668","","","","","","1.281","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500482","23.234","0.006","5.1735","0.0012","11.294","0.003","90","","90","","90","","1357.6","0.6","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C11 H12 Cu N3 O5 -","- C11 H12 Cu N3 O5 -","- C44 H48 Cu4 N12 O20 -","4","1","","Kathalikkattil, Amal Cherian; Bisht, Kamal Kumar; Aliaga-Alcalde, Núria; Suresh, Eringathodi","Synthesis, Magnetic Properties, and Structural Investigation of Mixed-Ligand Cu(II) Helical Coordination Polymers with an Amino Acid Backbone and N-Donor Propping: 1-D Helical, 2-D Hexagonal Net (hcb), and 3-DinsTopologies","Crystal Growth & Design","2011","11","5","1631","","10.1021/cg101587h","","","0.71073","MoKα","","0.0888","0.0842","","","0.1778","0.18","","","","","","1.2","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500483","21.49","0.003","6.8822","0.001","7.8075","0.0011","90","","90","","90","","1154.7","0.3","110","2","110","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C9 H7 Cu N2 O4 -","- C9 H7 Cu N2 O4 -","- C36 H28 Cu4 N8 O16 -","4","1","","Kathalikkattil, Amal Cherian; Bisht, Kamal Kumar; Aliaga-Alcalde, Núria; Suresh, Eringathodi","Synthesis, Magnetic Properties, and Structural Investigation of Mixed-Ligand Cu(II) Helical Coordination Polymers with an Amino Acid Backbone and N-Donor Propping: 1-D Helical, 2-D Hexagonal Net (hcb), and 3-DinsTopologies","Crystal Growth & Design","2011","11","5","1631","","10.1021/cg101587h","","","0.71073","MoKα","","0.0678","0.063","","","0.1439","0.146","","","","","","1.158","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500484","5.6238","0.0002","7.3489","0.0003","12.9709","0.0005","90.821","0.002","96.912","0.002","100.159","0.002","523.48","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","La-Sulfate","","","- C5 H5 La N O9 S2 -","- C5 H5 La N O9 S2 -","- C10 H10 La2 N2 O18 S4 -","2","1","","Yotnoi, Bunlawee; Rujiwatra, Apinpus; Reddy, M. L. P.; Sarma, Debajit; Natarajan, Srinivasan","Lanthanide Sulfate Frameworks: Synthesis, Structure, and Optical Properties","Crystal Growth & Design","2011","11","4","1347","","10.1021/cg101589d","","","0.71073","MoKα","","0.0163","0.0161","","","0.0438","0.0439","","","","","","1.141","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500485","5.0354","0.0001","7.0079","0.0001","16.6321","0.0003","88.5","","87.94","","75.47","","567.679","0.017","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Pr-Sulfate","","","- C5 H5 N O10 Pr S2 -","- C5 H5 N O10 Pr S2 -","- C10 H10 N2 O20 Pr2 S4 -","2","1","","Yotnoi, Bunlawee; Rujiwatra, Apinpus; Reddy, M. L. P.; Sarma, Debajit; Natarajan, Srinivasan","Lanthanide Sulfate Frameworks: Synthesis, Structure, and Optical Properties","Crystal Growth & Design","2011","11","4","1347","","10.1021/cg101589d","","","0.71073","MoKα","","0.0182","0.0175","","","0.0487","0.049","","","","","","1.12","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500486","8.0119","0.0005","9.4075","0.0006","14.9538","0.0009","79.439","0.001","83.749","0.001","73.988","0.001","1062.99","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Nd-Sulfate","","","- C10 H10 N2 Nd2 O18 S4 -","- C10 H10 N2 Nd2 O18 S4 -","- C20 H20 N4 Nd4 O36 S8 -","2","1","","Yotnoi, Bunlawee; Rujiwatra, Apinpus; Reddy, M. L. P.; Sarma, Debajit; Natarajan, Srinivasan","Lanthanide Sulfate Frameworks: Synthesis, Structure, and Optical Properties","Crystal Growth & Design","2011","11","4","1347","","10.1021/cg101589d","","","0.71073","MoKα","","0.0249","0.0215","","","0.0538","0.0551","","","","","","1.079","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500487","7.9585","0.0002","9.3752","0.0003","14.927","0.0004","79.327","0.002","83.927","0.002","73.83","0.002","1049.44","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Sm-Sulfate","","","- C10 H10 N2 O18 S4 Sm2 -","- C10 H10 N2 O18 S4 Sm2 -","- C20 H20 N4 O36 S8 Sm4 -","2","1","","Yotnoi, Bunlawee; Rujiwatra, Apinpus; Reddy, M. L. P.; Sarma, Debajit; Natarajan, Srinivasan","Lanthanide Sulfate Frameworks: Synthesis, Structure, and Optical Properties","Crystal Growth & Design","2011","11","4","1347","","10.1021/cg101589d","","","0.71073","MoKα","","0.0438","0.042","","","0.1141","0.1154","","","","","","1.042","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500488","7.937","0.0006","9.3612","0.0007","14.9214","0.001","79.348","0.001","83.996","0.001","73.777","0.001","1044.52","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Eu-Sulfate","","","- C10 H10 Eu2 N2 O18 S4 -","- C10 H10 Eu2 N2 O18 S4 -","- C20 H20 Eu4 N4 O36 S8 -","2","1","","Yotnoi, Bunlawee; Rujiwatra, Apinpus; Reddy, M. L. P.; Sarma, Debajit; Natarajan, Srinivasan","Lanthanide Sulfate Frameworks: Synthesis, Structure, and Optical Properties","Crystal Growth & Design","2011","11","4","1347","","10.1021/cg101589d","","","0.71073","MoKα","","0.0542","0.0534","","","0.14","0.1412","","","","","","1.085","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500489","16.3706","0.0008","16.3706","0.0008","22.5362","0.0014","90","","90","","120","","5230.5","0.5","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","Cu-Nitroisophthalate","","","- C9 H5 Cu N3 O6 -","- C9 H5 Cu N3 O6 -","- C162 H90 Cu18 N54 O108 -","18","1","","Sarma, Debajit; Ramanujachary, K. V.; Stock, Norbert; Natarajan, Srinivasan","High-Throughput Study of the Cu(CH3COO)2·H2O−5-Nitroisophthalic Acid−Heterocyclic Ligand System: Synthesis, Structure, Magnetic, and Heterogeneous Catalytic Studies of Three Copper Nitroisophthalates","Crystal Growth & Design","2011","11","4","1357","","10.1021/cg1015934","","","0.71073","MoKα","","0.033","0.0278","","","0.0837","0.085","","","","","","1.107","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500490","10.0134","0.0002","6.5861","0.0002","11.4842","0.0003","90","","90.144","0.002","90","","757.37","0.03","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","Cu-Nitroisophthalate","","","- C9 H5 Cu2 N5 O10 -","- C9 H4 Cu2 N5 O10 -","- C18 H8 Cu4 N10 O20 -","2","0.5","","Sarma, Debajit; Ramanujachary, K. V.; Stock, Norbert; Natarajan, Srinivasan","High-Throughput Study of the Cu(CH3COO)2·H2O−5-Nitroisophthalic Acid−Heterocyclic Ligand System: Synthesis, Structure, Magnetic, and Heterogeneous Catalytic Studies of Three Copper Nitroisophthalates","Crystal Growth & Design","2011","11","4","1357","","10.1021/cg1015934","","","0.71073","MoKα","","0.0596","0.0505","","","0.1233","0.1254","","","","","","1.237","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500491","6.4094","0.0015","14.857","0.004","16.066","0.005","90","","90","","90","","1529.9","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Cu-Nitroisophthalate","","","- C9 H5 Cu2 N6 O10 -","- C9 H5 Cu2 N6 O10 -","- C36 H20 Cu8 N24 O40 -","4","1","","Sarma, Debajit; Ramanujachary, K. V.; Stock, Norbert; Natarajan, Srinivasan","High-Throughput Study of the Cu(CH3COO)2·H2O−5-Nitroisophthalic Acid−Heterocyclic Ligand System: Synthesis, Structure, Magnetic, and Heterogeneous Catalytic Studies of Three Copper Nitroisophthalates","Crystal Growth & Design","2011","11","4","1357","","10.1021/cg1015934","","","0.71073","MoKα","","0.0656","0.049","","","0.1113","0.1216","","","","","","1.042","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500492","8.256","0.001","9.084","0.001","10.619","0.001","103.73","0.01","102.17","0.01","102.31","0.01","726.62","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N5 O6 -","- C13 H13 N5 O6 -","- C26 H26 N10 O12 -","2","1","","Marivel, S.; Arunachalam, M.; Ghosh, Pradyut","Binding of Polyatomic Anions with Protonated Ureido-pyridyl Ligands","Crystal Growth & Design","2011","11","5","1642","","10.1021/cg101595n","","","0.71073","MoKα","","0.0352","0.0313","","","0.091","0.0955","","","","","","1.058","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500493","8.586","0.005","10.343","0.006","10.905","0.001","113.51","0.01","108.28","0.01","99.45","0.001","795.3","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Cl N4 O7 -","- C13 H13 Cl N4 O7 -","- C26 H26 Cl2 N8 O14 -","2","1","","Marivel, S.; Arunachalam, M.; Ghosh, Pradyut","Binding of Polyatomic Anions with Protonated Ureido-pyridyl Ligands","Crystal Growth & Design","2011","11","5","1642","","10.1021/cg101595n","","","0.71073","MoKα","","0.0679","0.0511","","","0.1409","0.1764","","","","","","1.14","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500494","6.385","0.001","7.828","0.001","14.914","0.002","104.36","0.01","100.1","0.01","93.24","0.01","707.03","0.18","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 F6 N8 O6 Si -","- C26 H26 F6 N8 O6 Si -","- C26 H26 F6 N8 O6 Si -","1","0.5","","Marivel, S.; Arunachalam, M.; Ghosh, Pradyut","Binding of Polyatomic Anions with Protonated Ureido-pyridyl Ligands","Crystal Growth & Design","2011","11","5","1642","","10.1021/cg101595n","","","0.71073","MoKα","","0.03","0.0278","","","0.0736","0.0755","","","","","","1.002","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500495","10.198","0.002","10.25","0.002","16.458","0.003","87.78","0.01","77.01","0.01","72.99","0.01","1602.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H21 F10 N9 O9 -","- C27 H21 F10 N9 O9 -","- C54 H42 F20 N18 O18 -","2","1","","Marivel, S.; Arunachalam, M.; Ghosh, Pradyut","Binding of Polyatomic Anions with Protonated Ureido-pyridyl Ligands","Crystal Growth & Design","2011","11","5","1642","","10.1021/cg101595n","","","0.71073","MoKα","","0.0748","0.0439","","","0.0977","0.1115","","","","","","1.035","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500496","10.956","0.001","17.701","0.001","7.498","0.001","90","","90","","90","","1454.1","0.2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H10 F5 N3 O3 -","- C14 H10 F5 N3 O3 -","- C56 H40 F20 N12 O12 -","4","1","","Marivel, S.; Arunachalam, M.; Ghosh, Pradyut","Binding of Polyatomic Anions with Protonated Ureido-pyridyl Ligands","Crystal Growth & Design","2011","11","5","1642","","10.1021/cg101595n","","","0.71073","MoKα","","0.0252","0.0239","","","0.0609","0.0618","","","","","","1.036","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500497","7.789","0.001","18.282","0.002","18.558","0.002","90","","90","","90","","2642.6","0.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H14 F10 N6 O6 S -","- C24 H14 F10 N6 O6 S -","- C96 H56 F40 N24 O24 S4 -","4","1","","Marivel, S.; Arunachalam, M.; Ghosh, Pradyut","Binding of Polyatomic Anions with Protonated Ureido-pyridyl Ligands","Crystal Growth & Design","2011","11","5","1642","","10.1021/cg101595n","","","0.71073","MoKα","","0.0393","0.0328","","","0.0713","0.0746","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500498","12.2939","0.0001","16.2197","0.0002","13.8075","0.0002","90","","95.703","0.001","90","","2739.63","0.06","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H48 Cd2 N8 O19 -","- C52 H48 Cd2 N8 O19 -","- C104 H96 Cd4 N16 O38 -","2","0.5","","Gong, Yun; Li, Jian; Qin, JianBo; Wu, Tao; Cao, Rong; Li, JingHua","Metal(II) Coordination Polymers Derived from Bis-pyridyl-bis-amide Ligands and Carboxylates: Syntheses, Topological Structures, and Photoluminescence Properties","Crystal Growth & Design","2011","11","5","1662","","10.1021/cg1016005","","","0.71073","MoKα","","0.0317","0.025","","","0.0811","0.083","","","","","","1.039","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500499","16.2998","0.0005","9.1813","0.0002","18.2724","0.0006","90","","113.5","0.004","90","","2507.72","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 Cd N4 O6 -","- C26 H24 Cd N4 O6 -","- C104 H96 Cd4 N16 O24 -","4","1","","Gong, Yun; Li, Jian; Qin, JianBo; Wu, Tao; Cao, Rong; Li, JingHua","Metal(II) Coordination Polymers Derived from Bis-pyridyl-bis-amide Ligands and Carboxylates: Syntheses, Topological Structures, and Photoluminescence Properties","Crystal Growth & Design","2011","11","5","1662","","10.1021/cg1016005","","","0.71073","MoKα","","0.0567","0.0332","","","0.0911","0.0963","","","","","","1.042","","","","has coordinates","179535","2020-10-21","18:00:00",""
"4500500","29.482","0.011","9.779","0.003","18.036","0.007","90","","101.689","0.006","90","","5092","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H28 N9 O13 S2 Zn2 -","- C51 H28 N9 O13 S2 Zn2 -","- C204 H112 N36 O52 S8 Zn8 -","4","0.5","","Gong, Yun; Li, Jian; Qin, JianBo; Wu, Tao; Cao, Rong; Li, JingHua","Metal(II) Coordination Polymers Derived from Bis-pyridyl-bis-amide Ligands and Carboxylates: Syntheses, Topological Structures, and Photoluminescence Properties","Crystal Growth & Design","2011","11","5","1662","","10.1021/cg1016005","","","0.71073","MoKα","","0.0763","0.0609","","","0.1451","0.1577","","","","","","1.099","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500501","12.341","0.0011","14.0421","0.0013","11.43","0.001","90","","96.641","0.005","90","","1967.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N3 O7 S Zn -","- C16 H12 N3 O7 S Zn -","- C64 H48 N12 O28 S4 Zn4 -","4","1","","Gong, Yun; Li, Jian; Qin, JianBo; Wu, Tao; Cao, Rong; Li, JingHua","Metal(II) Coordination Polymers Derived from Bis-pyridyl-bis-amide Ligands and Carboxylates: Syntheses, Topological Structures, and Photoluminescence Properties","Crystal Growth & Design","2011","11","5","1662","","10.1021/cg1016005","","","0.71073","MoKα","","0.0341","0.0309","","","0.0836","0.0858","","","","","","1.116","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500502","20.3856","0.0005","13.8293","0.0003","13.1563","0.0004","90","","103.632","0.003","90","","3604.52","0.17","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H44 Cd2 N12 O14 -","- C62 H44 Cd2 N12 O14 -","- C124 H88 Cd4 N24 O28 -","2","0.25","","Gong, Yun; Li, Jian; Qin, JianBo; Wu, Tao; Cao, Rong; Li, JingHua","Metal(II) Coordination Polymers Derived from Bis-pyridyl-bis-amide Ligands and Carboxylates: Syntheses, Topological Structures, and Photoluminescence Properties","Crystal Growth & Design","2011","11","5","1662","","10.1021/cg1016005","","","0.71073","MoKα","","0.0553","0.0423","","","0.1808","0.185","","","","","","1.315","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500503","9.5894","0.0003","18.8609","0.0004","13.2876","0.0004","90","","106.102","0.003","90","","2308.98","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 N4 O6 Zn -","- C26 H18 N4 O6 Zn -","- C104 H72 N16 O24 Zn4 -","4","1","","Gong, Yun; Li, Jian; Qin, JianBo; Wu, Tao; Cao, Rong; Li, JingHua","Metal(II) Coordination Polymers Derived from Bis-pyridyl-bis-amide Ligands and Carboxylates: Syntheses, Topological Structures, and Photoluminescence Properties","Crystal Growth & Design","2011","11","5","1662","","10.1021/cg1016005","","","0.71073","MoKα","","0.0504","0.0333","","","0.0869","0.0911","","","","","","1","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500504","9.253","0.004","21.321","0.01","23.611","0.012","90","","90","","90","","4658","4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H69 N7 O11 S -","- C37 H69 N7 O11 S -","- C148 H276 N28 O44 S4 -","4","1","","Duley, Anju; Nethaji, Munirathinam; Ramanathan, Gurunath","A Change in the 310- to α-Helical Transition Point in the Heptapeptides Containing Sulfur and Selenium","Crystal Growth & Design","2011","11","6","2238","","10.1021/cg101604g","","","0.71073","MoKα","","0.1641","0.0694","","","0.1322","0.1752","","","","","","0.942","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500505","11.939","0.002","16.031","0.003","24.64","0.003","90","","90","","90","","4716","1.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H73 N7 O13 Se -","- C37 H73 N7 O13 Se -","- C148 H292 N28 O52 Se4 -","4","1","","Duley, Anju; Nethaji, Munirathinam; Ramanathan, Gurunath","A Change in the 310- to α-Helical Transition Point in the Heptapeptides Containing Sulfur and Selenium","Crystal Growth & Design","2011","11","6","2238","","10.1021/cg101604g","","","0.71073","MoKα","","0.0822","0.0579","","","0.1207","0.1351","","","","","","1.008","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500506","22.41","0.002","9.218","0.003","23.588","0.002","90","","90","","90","","4872.7","1.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H71 N7 O11 S -","- C42 H71 N7 O11 S -","- C168 H284 N28 O44 S4 -","4","1","","Duley, Anju; Nethaji, Munirathinam; Ramanathan, Gurunath","A Change in the 310- to α-Helical Transition Point in the Heptapeptides Containing Sulfur and Selenium","Crystal Growth & Design","2011","11","6","2238","","10.1021/cg101604g","","","0.71073","MoKα","","0.0893","0.0598","","","0.1281","0.1601","","","","","","1.04","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500507","5.2586","0.0007","11.7922","0.0014","51.155","0.007","90","","90","","90","","3172.1","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3694-25-06 (209739)","","- C36 H42 N2 O6 -","- C36 H42 N2 O6 -","- C144 H168 N8 O24 -","4","1","","Bethune, Sarah J.; Schultheiss, Nate; Henck, Jan-Olav","Improving the Poor Aqueous Solubility of Nutraceutical Compound Pterostilbene through Cocrystal Formation","Crystal Growth & Design","2011","11","7","2817","","10.1021/cg1016092","","","0.71073","MoKα","","0.1713","0.0545","","","0.0948","0.1255","","","","","","0.967","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500508","7.2644","0.0003","32.8801","0.0016","7.9819","0.0004","90","","96","0.002","90","","1896.07","0.15","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","213357 (3694-54-01)","","- C21 H24 O7 -","- C21 H24 O7 -","- C84 H96 O28 -","4","1","","Bethune, Sarah J.; Schultheiss, Nate; Henck, Jan-Olav","Improving the Poor Aqueous Solubility of Nutraceutical Compound Pterostilbene through Cocrystal Formation","Crystal Growth & Design","2011","11","7","2817","","10.1021/cg1016092","","","0.71073","MoKα","","0.066","0.0472","","","0.1224","0.1396","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500509","9.6721","0.0019","9.6817","0.0019","7.7419","0.0015","99.39","0.03","104.54","0.03","60.72","0.03","611.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H9 Na O9 Zn -","- C9 H9.08 Na O9.04 Zn -","- C18 H18.16 Na2 O18.08 Zn2 -","2","1","","Fu, Ying; Su, Jie; Yang, Sihai; Zou, Zhibo; Li, Guobao; Liao, Fuhui; Xiong, Ming; Lin, Jianhua","Syntheses, Structures, and Structural Transformations of Mixed Na(I) and Zn(II) Metal‒Organic Frameworks with 1,3,5-Benzenetricarboxylate Ligands","Crystal Growth & Design","2011","11","6","2243","","10.1021/cg101610k","","","0.71073","MoKα","","0.0734","0.068","","","0.2192","0.23","","","","","","1.007","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500510","7.5112","0.0015","19.151","0.004","21.213","0.004","90","","93.42","0.03","90","","3046","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 Na2 O24 Zn3 -","- C20 H24 Na2 O24 Zn3 -","- C80 H96 Na8 O96 Zn12 -","4","0.5","","Fu, Ying; Su, Jie; Yang, Sihai; Zou, Zhibo; Li, Guobao; Liao, Fuhui; Xiong, Ming; Lin, Jianhua","Syntheses, Structures, and Structural Transformations of Mixed Na(I) and Zn(II) Metal‒Organic Frameworks with 1,3,5-Benzenetricarboxylate Ligands","Crystal Growth & Design","2011","11","6","2243","","10.1021/cg101610k","","","0.71073","MoKα","","0.0842","0.0688","","","0.2245","0.2509","","","","","","1.008","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500511","7.9024","0.0016","9.3784","0.0019","9.7093","0.0019","61.65","0.03","71.6","0.03","80.38","0.03","600.8","0.3","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C19 H17 Na O19 Zn3 -","- C19 H17 Na O19 Zn3 -","- C19 H17 Na O19 Zn3 -","1","1","","Fu, Ying; Su, Jie; Yang, Sihai; Zou, Zhibo; Li, Guobao; Liao, Fuhui; Xiong, Ming; Lin, Jianhua","Syntheses, Structures, and Structural Transformations of Mixed Na(I) and Zn(II) Metal‒Organic Frameworks with 1,3,5-Benzenetricarboxylate Ligands","Crystal Growth & Design","2011","11","6","2243","","10.1021/cg101610k","","","0.71073","MoKα","","0.035","0.0308","","","0.0798","0.0823","","","","","","1.002","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500512","7.3529","0.0015","19.332","0.004","16.542","0.003","90","","99","0.03","90","","2322.4","0.8","383","2","383","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Na2 O18 Zn3 -","- C20 H12 Na2 O18 Zn3 -","- C80 H48 Na8 O72 Zn12 -","4","0.5","","Fu, Ying; Su, Jie; Yang, Sihai; Zou, Zhibo; Li, Guobao; Liao, Fuhui; Xiong, Ming; Lin, Jianhua","Syntheses, Structures, and Structural Transformations of Mixed Na(I) and Zn(II) Metal‒Organic Frameworks with 1,3,5-Benzenetricarboxylate Ligands","Crystal Growth & Design","2011","11","6","2243","","10.1021/cg101610k","","","0.71073","MoKα","","0.1307","0.1041","","","0.2638","0.2817","","","","","","1.033","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500513","7.3847","0.0017","15.339","0.004","23.11","0.005","90","","90","","90","","2617.8","1.1","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H10 Co O5 -","- C14 H10 Co O5 -","- C112 H80 Co8 O40 -","8","1","","Yi, Xiao-Yi; Fang, Hua-Cai; Gu, Zhi-Gang; Zhou, Zheng-Yuan; Cai, Yue-Peng; Tian, Jian; Thallapally, Praveen K.","Metal‒Organic Frameworks with Achiral/Monochiral Nano-Channels","Crystal Growth & Design","2011","11","7","2824","","10.1021/cg101618n","","","0.71073","MoKα","","0.0641","0.0476","","","0.1351","0.1513","","","","","","1.03","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500514","24.058","0.006","6.8774","0.0016","7.7918","0.0018","90","","90","","90","","1289.2","0.5","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H10 Co O5 -","- C14 H10 Co O5 -","- C56 H40 Co4 O20 -","4","1","","Yi, Xiao-Yi; Fang, Hua-Cai; Gu, Zhi-Gang; Zhou, Zheng-Yuan; Cai, Yue-Peng; Tian, Jian; Thallapally, Praveen K.","Metal‒Organic Frameworks with Achiral/Monochiral Nano-Channels","Crystal Growth & Design","2011","11","7","2824","","10.1021/cg101618n","","","0.71073","MoKα","","0.03","0.0249","","","0.0544","0.0569","","","","","","1.067","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500515","6.3985","0.0009","19.848","0.003","21.634","0.003","90","","90","","90","","2747.5","0.7","298","2","298","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C28 H22 Co3 O12 -","- C28 H22 Co3 O12 -","- C112 H88 Co12 O48 -","4","0.5","","Yi, Xiao-Yi; Fang, Hua-Cai; Gu, Zhi-Gang; Zhou, Zheng-Yuan; Cai, Yue-Peng; Tian, Jian; Thallapally, Praveen K.","Metal‒Organic Frameworks with Achiral/Monochiral Nano-Channels","Crystal Growth & Design","2011","11","7","2824","","10.1021/cg101618n","","","0.71073","MoKα","","0.0225","0.0209","","","0.0506","0.0513","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500516","7.7688","0.0002","8.2084","0.0003","16.5067","0.0005","84.082","0.001","76.977","0.001","79.126","0.001","1005.11","0.05","295","2","295","2","","","","","","","","4","P -1","-P 1","2","2,2'-dithiobisbenzoic acid-2-mercaptobenzoic acid","2,2'-disulfanediyldibenzoic acid-2-sulfanylbenzoic acid","","- C21 H15 O6 S3 -","- C21 H15 O6 S3 -","- C42 H30 O12 S6 -","2","1","","Rowland, Clare E.; Cantos, Paula M.; Toby, Brian H.; Frisch, Mark; Deschamps, Jeffrey R.; Cahill, Christopher L.","Controlling Disulfide Bond Formation and Crystal Growth from 2-Mercaptobenzoic Acid","Crystal Growth & Design","2011","11","4","1370","","10.1021/cg101619y","","","0.71073","MoKα","","0.0772","0.0433","","","0.1076","0.1235","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500517","16.53569","0.00017","12.81311","0.00017","20.98335","0.00021","90","","104.888","0.0014","90","","4296.56","0.09","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,2'-dithiobisbenzoic acid","2,2'-disulfanediyldibenzoic acid","","- C7 H5 O2 S -","- C7 H5 O2 S -","- C168 H120 O48 S24 -","24","3","","Rowland, Clare E.; Cantos, Paula M.; Toby, Brian H.; Frisch, Mark; Deschamps, Jeffrey R.; Cahill, Christopher L.","Controlling Disulfide Bond Formation and Crystal Growth from 2-Mercaptobenzoic Acid","Crystal Growth & Design","2011","11","4","1370","","10.1021/cg101619y","powder diffraction","x-ray","0.413541","","","","","","","","","0.16296","","","","","","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500518","7.579","0.003","6.4","0.002","31.984","0.006","90","","90","","90","","1551.4","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C4 H4 Cd Cl N3 O2 -","- C4 H4 Cd Cl N3 O2 -","- C32 H32 Cd8 Cl8 N24 O16 -","8","2","","Dirtu, Marinela M.; Neuhausen, Christine; Naik, Anil D.; Léonard, Alexandre; Robert, Francois; Marchand-Brynaert, Jacqueline; Su, Bao-Lian; Garcia, Yann","Superlative Scaffold of 1,2,4-Triazole Derivative of Glycine Steering Linear Chain to a Chiral Helicate","Crystal Growth & Design","2011","11","4","1375","","10.1021/cg101634w","","","0.71073","MoKα","","0.0333","0.0226","","","0.0473","0.0488","","","","","","1.079","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500519","12.164","0.002","7.6685","0.0015","15.945","0.003","90","","101.51","0.03","90","","1457.4","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 Cd Cl N6 O6 -","- C8 H8 Cd Cl N6 O6 -","- C32 H32 Cd4 Cl4 N24 O24 -","4","1","","Dirtu, Marinela M.; Neuhausen, Christine; Naik, Anil D.; Léonard, Alexandre; Robert, Francois; Marchand-Brynaert, Jacqueline; Su, Bao-Lian; Garcia, Yann","Superlative Scaffold of 1,2,4-Triazole Derivative of Glycine Steering Linear Chain to a Chiral Helicate","Crystal Growth & Design","2011","11","4","1375","","10.1021/cg101634w","","","0.71073","MoKα","","0.0548","0.0436","","","0.1134","0.1187","","","","","","1.037","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500520","7.719","0.0002","16.7675","0.0005","12.0414","0.0003","90","","99.798","0.001","90","","1535.77","0.07","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(cafH+).(fsu-)","caffeinium tetrafluorosuccinate","","- C12 H12 F4 N4 O6 -","- C12 H12 F4 N4 O6 -","- C48 H48 F16 N16 O24 -","4","1","","Friščić, Tomislav; Reid, David G.; Day, Graeme M.; Duer, Melinda J.; Jones, William","Effect of Fluorination on Molecular Conformation in the Solid State: Tuning the Conformation of Cocrystal Formers","Crystal Growth & Design","2011","11","4","972","","10.1021/cg1016388","","","0.71073","MoKα","","0.0693","0.0436","","","0.1037","0.115","","","","","","1.028","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500521","9.8232","0.0002","13.2644","0.0003","11.2546","0.0003","90","","112.692","0.001","90","","1352.95","0.06","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(caf)2.(Hfad)","caffeine:octafluoroadipic acid 2/1","","- C22 H22 F8 N8 O8 -","- C22 H22 F8 N8 O8 -","- C44 H44 F16 N16 O16 -","2","0.5","","Friščić, Tomislav; Reid, David G.; Day, Graeme M.; Duer, Melinda J.; Jones, William","Effect of Fluorination on Molecular Conformation in the Solid State: Tuning the Conformation of Cocrystal Formers","Crystal Growth & Design","2011","11","4","972","","10.1021/cg1016388","","","0.71073","MoKα","","0.06","0.0465","","","0.1343","0.1447","","","","","","1.069","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500522","10.6924","0.0002","11.6169","0.0002","22.441","0.0003","90","","90","","90","","2787.45","0.08","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","Hfsu.H2O","tetrafluorosuccinic acid monohydrate","","- C4 H4 F4 O5 -","- C4 H4 F4 O5 -","- C64 H64 F64 O80 -","16","2","","Friščić, Tomislav; Reid, David G.; Day, Graeme M.; Duer, Melinda J.; Jones, William","Effect of Fluorination on Molecular Conformation in the Solid State: Tuning the Conformation of Cocrystal Formers","Crystal Growth & Design","2011","11","4","972","","10.1021/cg1016388","","","0.71073","MoKα","","0.0653","0.0381","","","0.1032","0.1243","","","","","","1.13","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500523","7.7939","0.0019","12.52","0.003","29.982","0.007","90","","92.952","0.004","90","","2921.8","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Eu N4 O13 Zn -","- C26 H21 Eu N4 O13 Zn -","- C104 H84 Eu4 N16 O52 Zn4 -","4","1","","Feng, Rui; Chen, Lian; Chen, Qi-Hui; Shan, Xiao-Chen; Gai, Yan-Li; Jiang, Fei-Long; Hong, Mao-Chun","Novel Luminescent Three-Dimensional Heterometallic Complexes with 2-Fold Interpenetrating (3,6)-Connected Nets","Crystal Growth & Design","2011","11","5","1705","","10.1021/cg101642j","","","0.71073","MoKα","","0.0579","0.0473","","","0.1023","0.108","","","","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500524","7.794","0.003","12.535","0.005","30.012","0.012","90","","92.953","0.005","90","","2928","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N4 O13 Sm Zn -","- C26 H19 N4 O13 Sm Zn -","- C104 H76 N16 O52 Sm4 Zn4 -","4","1","","Feng, Rui; Chen, Lian; Chen, Qi-Hui; Shan, Xiao-Chen; Gai, Yan-Li; Jiang, Fei-Long; Hong, Mao-Chun","Novel Luminescent Three-Dimensional Heterometallic Complexes with 2-Fold Interpenetrating (3,6)-Connected Nets","Crystal Growth & Design","2011","11","5","1705","","10.1021/cg101642j","","","0.71073","MoKα","","0.0597","0.0504","","","0.1099","0.1158","","","","","","1.109","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500525","7.819","0.002","12.561","0.003","29.962","0.007","90","","92.663","0.005","90","","2939.5","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N4 Nd O13 Zn -","- C26 H19 N4 Nd O13 Zn -","- C104 H76 N16 Nd4 O52 Zn4 -","4","1","","Feng, Rui; Chen, Lian; Chen, Qi-Hui; Shan, Xiao-Chen; Gai, Yan-Li; Jiang, Fei-Long; Hong, Mao-Chun","Novel Luminescent Three-Dimensional Heterometallic Complexes with 2-Fold Interpenetrating (3,6)-Connected Nets","Crystal Growth & Design","2011","11","5","1705","","10.1021/cg101642j","","","0.71073","MoKα","","0.0476","0.0396","","","0.0826","0.087","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500526","7.766","0.003","12.471","0.005","29.941","0.013","90","","93.191","0.008","90","","2895","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Dy N4 O13 Zn -","- C26 H19 Dy N4 O13 Zn -","- C104 H76 Dy4 N16 O52 Zn4 -","4","1","","Feng, Rui; Chen, Lian; Chen, Qi-Hui; Shan, Xiao-Chen; Gai, Yan-Li; Jiang, Fei-Long; Hong, Mao-Chun","Novel Luminescent Three-Dimensional Heterometallic Complexes with 2-Fold Interpenetrating (3,6)-Connected Nets","Crystal Growth & Design","2011","11","5","1705","","10.1021/cg101642j","","","0.71073","MoKα","","0.1203","0.0848","","","0.1601","0.1792","","","","","","1.146","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500527","7.747","0.0017","12.44","0.003","29.949","0.007","90","","93.328","0.004","90","","2881.4","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 Er N4 O13 Zn -","- C26 H19 Er N4 O13 Zn -","- C104 H76 Er4 N16 O52 Zn4 -","4","1","","Feng, Rui; Chen, Lian; Chen, Qi-Hui; Shan, Xiao-Chen; Gai, Yan-Li; Jiang, Fei-Long; Hong, Mao-Chun","Novel Luminescent Three-Dimensional Heterometallic Complexes with 2-Fold Interpenetrating (3,6)-Connected Nets","Crystal Growth & Design","2011","11","5","1705","","10.1021/cg101642j","","","0.71073","MoKα","","0.0466","0.0389","","","0.0898","0.0953","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500528","7.777","0.002","12.488","0.003","29.956","0.008","90","","93.123","0.004","90","","2905","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N4 O13 Tb Zn -","- C26 H19 N4 O13 Tb Zn -","- C104 H76 N16 O52 Tb4 Zn4 -","4","1","","Feng, Rui; Chen, Lian; Chen, Qi-Hui; Shan, Xiao-Chen; Gai, Yan-Li; Jiang, Fei-Long; Hong, Mao-Chun","Novel Luminescent Three-Dimensional Heterometallic Complexes with 2-Fold Interpenetrating (3,6)-Connected Nets","Crystal Growth & Design","2011","11","5","1705","","10.1021/cg101642j","","","0.71073","MoKα","","0.063","0.0459","","","0.0987","0.1086","","","","","","1.084","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500529","12.04226","0.00017","23.22101","0.00029","5.81899","0.00015","90","","90","","90","","1627.18","0.05","293","","293","","","","","","","","","4","P 21 n b","P -2bc 2a","33","","","","- C2 Ca O9 P -","- C2 Ca O9 P -","- C16 Ca8 O72 P8 -","8","2","","Colodrero, Rosario M. P.; Cabeza, Aurelio; Olivera-Pastor, Pascual; Papadaki, Maria; Rius, Jordi; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Demadis, Konstantinos D.; Aranda, Miguel A. G.","Common Structural Features in Calcium Hydroxyphosphonoacetates. A High-Throughput Screening","Crystal Growth & Design","2011","11","5","1713","","10.1021/cg101652e","powder diffraction","x-ray","1.5406","","","","","","","","","0.0924","","3.16","","","","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500530","29.7116","0.0004","8.84842","0.00009","11.31039","0.00009","90","","93.24","0.0008","90","","2968.76","0.06","293","","293","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C8 Ca5 O30 P4 -","- C8 Ca5 O30 P4 -","- C32 Ca20 O120 P16 -","4","0.5","","Colodrero, Rosario M. P.; Cabeza, Aurelio; Olivera-Pastor, Pascual; Papadaki, Maria; Rius, Jordi; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Demadis, Konstantinos D.; Aranda, Miguel A. G.","Common Structural Features in Calcium Hydroxyphosphonoacetates. A High-Throughput Screening","Crystal Growth & Design","2011","11","5","1713","","10.1021/cg101652e","powder diffraction","x-ray","0.2998","","","","","","","","","0.13181","","4.02","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500531","10.11879","0.00025","8.5936","0.00019","6.07574","0.00016","90","","92.4396","0.0016","90","","527.85","0.02","293","","293","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C2 Ca Li O6 P -","- C2 Ca Li O6 P -","- C8 Ca4 Li4 O24 P4 -","4","1","","Colodrero, Rosario M. P.; Cabeza, Aurelio; Olivera-Pastor, Pascual; Papadaki, Maria; Rius, Jordi; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Demadis, Konstantinos D.; Aranda, Miguel A. G.","Common Structural Features in Calcium Hydroxyphosphonoacetates. A High-Throughput Screening","Crystal Growth & Design","2011","11","5","1713","","10.1021/cg101652e","powder diffraction","x-ray","1.5406","","","","","","","","","0.08546","","1.48","","","","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500532","6.64","0.0007","8.7164","0.0009","11.5047","0.0012","76.174","0.001","89.574","0.001","75.524","0.001","625.07","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H10 Ca4 Na2 O27 P4 -","- C8 H10 Ca4 Na2 O27 P4 -","- C8 H10 Ca4 Na2 O27 P4 -","1","0.5","","Colodrero, Rosario M. P.; Cabeza, Aurelio; Olivera-Pastor, Pascual; Papadaki, Maria; Rius, Jordi; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Demadis, Konstantinos D.; Aranda, Miguel A. G.","Common Structural Features in Calcium Hydroxyphosphonoacetates. A High-Throughput Screening","Crystal Growth & Design","2011","11","5","1713","","10.1021/cg101652e","","","0.71073","MoKα","","0.0585","0.056","","","0.1532","0.1545","","","","","","1.194","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500533","14.896","0.003","21.236","0.003","30.962","0.005","90","","90","","90","","9794","3","296","2","296","2","500000","","","","","","","5","P b c a","-P 2ac 2ab","61","dabcoHI hydarte","1,4-diazabicyclo[2.2.2]octanium iodide hydrate","","- C30 H75 I5 N10 O5 -","- C30 H73 I5 N10 O5 -","- C240 H584 I40 N80 O40 -","8","1","","Olejniczak, Anna; Katrusiak, Andrzej","Pressure-Induced Hydration of 1,4-Diazabicyclo[2.2.2]octane Hydroiodide (dabcoHI)","Crystal Growth & Design","2011","11","6","2250","","10.1021/cg101653x","","","0.71073","MoKα","","0.2167","0.1822","","","0.3019","0.3151","","","","","","1.421","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500534","10.731","0.0011","8.2648","0.0014","9.6593","0.0017","90","","90","","90","","856.7","0.2","296","2","296","2","1400000","","","","","","","5","P n m a","-P 2ac 2n","62","dabcoHI hydarte","1,4-diazabicyclo[2.2.2]octanium iodide hydrate","","- C6 H15 I N2 O -","- C6 H15 I N2 O -","- C24 H60 I4 N8 O4 -","4","0.5","","Olejniczak, Anna; Katrusiak, Andrzej","Pressure-Induced Hydration of 1,4-Diazabicyclo[2.2.2]octane Hydroiodide (dabcoHI)","Crystal Growth & Design","2011","11","6","2250","","10.1021/cg101653x","","","0.71073","MoKα","","0.044","0.0402","","","0.0914","0.0931","","","","","","1.226","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500535","14.76","0.003","7.3471","0.0015","14.823","0.003","90","","112.13","0.03","90","","1489","0.6","8184","","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C5 H15 Cl5 N2 O Re -","- C5 H15 Cl5 N2 O Re -","- C20 H60 Cl20 N8 O4 Re4 -","4","0.5","","Martínez-Lillo, José; Armentano, Donatella; Mastropietro, Teresa F.; Julve, Miguel; Faus, Juan; De Munno, Giovanni","Self-Assembled One- and Two-Dimensional Networks Based on NH2Me2[ReX5(DMF)] (X = Cl and Br) Species: Polymorphism and Supramolecular Isomerism in Re(IV) Compounds","Crystal Growth & Design","2011","11","5","1733","","10.1021/cg101658a","","","0.71073","MoKα","","0.0145","0.0136","","","0.0416","0.0423","","","","","","0.928","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500536","6.7652","0.0014","7.4345","0.0015","14.424","0.003","90","","100.63","0.03","90","","713","0.3","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C5 H15 Cl5 N2 O Re -","- C5 H15 Cl5 N2 O Re -","- C10 H30 Cl10 N4 O2 Re2 -","2","0.5","","Martínez-Lillo, José; Armentano, Donatella; Mastropietro, Teresa F.; Julve, Miguel; Faus, Juan; De Munno, Giovanni","Self-Assembled One- and Two-Dimensional Networks Based on NH2Me2[ReX5(DMF)] (X = Cl and Br) Species: Polymorphism and Supramolecular Isomerism in Re(IV) Compounds","Crystal Growth & Design","2011","11","5","1733","","10.1021/cg101658a","","","0.71073","MoKα","","0.0433","0.0421","","","0.1217","0.1226","","","","","","1.081","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500537","28.5337","0.0015","7.679","0.0004","7.228","0.0004","90","","90","","90","","1583.73","0.15","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C5 H15 Br5 N2 O Re -","- C5 H15 Br5 N2 O Re -","- C20 H60 Br20 N8 O4 Re4 -","4","0.5","","Martínez-Lillo, José; Armentano, Donatella; Mastropietro, Teresa F.; Julve, Miguel; Faus, Juan; De Munno, Giovanni","Self-Assembled One- and Two-Dimensional Networks Based on NH2Me2[ReX5(DMF)] (X = Cl and Br) Species: Polymorphism and Supramolecular Isomerism in Re(IV) Compounds","Crystal Growth & Design","2011","11","5","1733","","10.1021/cg101658a","","","0.71073","MoKα","","0.0529","0.0341","","","0.0823","0.0926","","","","","","1.061","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500538","15.034","0.003","17.99","0.004","13.818","0.003","90","","101.78","0.03","90","","3658.5","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H24 Co3 N14 O8 -","- C30 H24 Co3 N14 O8 -","- C120 H96 Co12 N56 O32 -","4","0.5","","Yang, Qian; Zhang, Xiao-Feng; Zhao, Jiong-Peng; Hu, Bo-Wen; Bu, Xian-He","Cobalt(II)‒Azido Coordination Polymers with Dicarboxylate and Di(1H-imidazol-1-yl)methane Ligands Exhibiting Ferromagnetic Behaviors","Crystal Growth & Design","2011","11","7","2839","","10.1021/cg1016615","","","0.71073","MoKα","","0.117","0.0722","","","0.0866","0.0953","","","","","","1.173","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500539","10.134","0.002","10.554","0.002","10.689","0.002","99.81","0.03","103.32","0.03","118.2","0.03","927","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H26 Co3 N14 O9 -","- C30 H26 Co3 N14 O9 -","- C30 H26 Co3 N14 O9 -","1","0.5","","Yang, Qian; Zhang, Xiao-Feng; Zhao, Jiong-Peng; Hu, Bo-Wen; Bu, Xian-He","Cobalt(II)‒Azido Coordination Polymers with Dicarboxylate and Di(1H-imidazol-1-yl)methane Ligands Exhibiting Ferromagnetic Behaviors","Crystal Growth & Design","2011","11","7","2839","","10.1021/cg1016615","","","0.71073","MoKα","","0.053","0.0381","","","0.0869","0.0923","","","","","","1.089","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500540","9.833","0.002","12.23","0.002","12.764","0.003","90","","95.47","0.03","90","","1528","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 Co N7 O3 -","- C12 H14 Co N7 O3 -","- C48 H56 Co4 N28 O12 -","4","1","","Yang, Qian; Zhang, Xiao-Feng; Zhao, Jiong-Peng; Hu, Bo-Wen; Bu, Xian-He","Cobalt(II)‒Azido Coordination Polymers with Dicarboxylate and Di(1H-imidazol-1-yl)methane Ligands Exhibiting Ferromagnetic Behaviors","Crystal Growth & Design","2011","11","7","2839","","10.1021/cg1016615","","","0.71073","MoKα","","0.1033","0.065","","","0.096","0.106","","","","","","1.127","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500541","6.9718","0.0005","18.1744","0.0013","8.9804","0.0007","90","","96.357","0.001","90","","1130.89","0.14","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 O11 Pb2 -","- C20 H22 O11 Pb2 -","- C40 H44 O22 Pb4 -","2","1","","Yang, Guo-Ping; Hou, Lei; Wang, Yao-Yu; Zhang, Ya-Nan; Shi, Qi-Zhen; Batten, Stuart R.","Two Unprecedented Three-Dimensional PbIIPolymorphs and Structural Diversities Built on a Kinked Flexible Dicarboxylate Building Block","Crystal Growth & Design","2011","11","4","936","","10.1021/cg101663a","","","0.71073","MoKα","","0.0374","0.0349","","","0.0767","0.0776","","","","","","1.006","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500542","9.1296","0.0008","10.226","0.0009","13.0963","0.0011","103.408","0.001","90.242","0.001","99.456","0.001","1172.03","0.18","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 O11 Pb2 -","- C20 H22 O11 Pb2 -","- C40 H44 O22 Pb4 -","2","1","","Yang, Guo-Ping; Hou, Lei; Wang, Yao-Yu; Zhang, Ya-Nan; Shi, Qi-Zhen; Batten, Stuart R.","Two Unprecedented Three-Dimensional PbIIPolymorphs and Structural Diversities Built on a Kinked Flexible Dicarboxylate Building Block","Crystal Growth & Design","2011","11","4","936","","10.1021/cg101663a","","","0.71073","MoKα","","0.0452","0.0318","","","0.0753","0.0784","","","","","","1.011","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500543","6.9383","0.0002","8.3245","0.0003","15.892","0.0006","97.13","","96.34","","91.74","","904.32","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H4 Co O20 P2 U2 -","- C4 H4 Co O20 P2 U2 -","- C8 H8 Co2 O40 P4 U4 -","2","1","","Alsobrook, Andrea N.; Hauser, Brad G.; Hupp, Joseph T.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","From Layered Structures to Cubic Frameworks: Expanding the Structural Diversity of Uranyl Carboxyphosphonates via the Incorporation of Cobalt","Crystal Growth & Design","2011","11","4","1385","","10.1021/cg101668f","","","0.71073","MoKα","","0.0208","0.0191","","","0.0474","0.0481","","","","","","1.102","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500544","20.573","0.0013","9.4979","0.0006","13.3841","0.0009","90","","105.219","0.001","90","","2523.5","0.3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H4 Co O28 P2 U2 -","- C4 H4 Co O28 P2 U2 -","- C16 H16 Co4 O112 P8 U8 -","4","0.5","","Alsobrook, Andrea N.; Hauser, Brad G.; Hupp, Joseph T.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","From Layered Structures to Cubic Frameworks: Expanding the Structural Diversity of Uranyl Carboxyphosphonates via the Incorporation of Cobalt","Crystal Growth & Design","2011","11","4","1385","","10.1021/cg101668f","","","0.71073","MoKα","","0.0297","0.0281","","","0.0795","0.0808","","","","","","1.08","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500545","9.3568","0.0009","9.5026","0.001","12.1282","0.0012","90","","103.912","0.001","90","","1046.73","0.18","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H4 Co O22 P2 U2 -","- C4 H4 Co O22 P2 U2 -","- C8 H8 Co2 O44 P4 U4 -","2","0.5","","Alsobrook, Andrea N.; Hauser, Brad G.; Hupp, Joseph T.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","From Layered Structures to Cubic Frameworks: Expanding the Structural Diversity of Uranyl Carboxyphosphonates via the Incorporation of Cobalt","Crystal Growth & Design","2011","11","4","1385","","10.1021/cg101668f","","","0.71073","MoKα","","0.021","0.0194","","","0.0519","0.0528","","","","","","1.102","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500546","11.1148","0.0005","15.6485","0.0007","18.8376","0.0008","90","","92.647","0.001","90","","3272.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C4 H4 Co0.5 O35.67 P2 U6 -","- C4 H4 Co0.5 O35.67 P2 U6 -","- C16 H16 Co2 O142.68 P8 U24 -","4","1","","Alsobrook, Andrea N.; Hauser, Brad G.; Hupp, Joseph T.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","From Layered Structures to Cubic Frameworks: Expanding the Structural Diversity of Uranyl Carboxyphosphonates via the Incorporation of Cobalt","Crystal Growth & Design","2011","11","4","1385","","10.1021/cg101668f","","","0.71073","MoKα","","0.0602","0.0445","","","0.0962","0.1028","","","","","","1.078","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500547","26.3861","0.0003","26.3861","0.0003","26.3861","0.0003","90","","90","","90","","18370.7","0.4","100","2","100","2","","","","","","","","6","I m -3","-I 2 2 3","204","","","","- C6 H42 Co2 O49 P3 U6 -","- C6 H6 Co2 O47.375 P3 U6 -","- C96 H96 Co32 O758 P48 U96 -","16","0.333333","","Alsobrook, Andrea N.; Hauser, Brad G.; Hupp, Joseph T.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","From Layered Structures to Cubic Frameworks: Expanding the Structural Diversity of Uranyl Carboxyphosphonates via the Incorporation of Cobalt","Crystal Growth & Design","2011","11","4","1385","","10.1021/cg101668f","","","0.71073","MoKα","","0.0209","0.0176","","","0.042","0.0429","","","","","","1.076","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500548","20.159","0.003","18.84","0.003","21.336","0.003","90","","92.694","0.003","90","","8094","2","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C80 H60 F24 Mn3 N2 O16 -","- C80 H60 F24 Mn3 N2 O16 -","- C320 H240 F96 Mn12 N8 O64 -","4","0.5","","Wang, Xiqu; Liu, Lumei; Conato, Marlon; Jacobson, Allan J.","Amine-Templated Anionic Metal‒Organic Frameworks with the 4,4′-(Hexafluoroisopropylidene) Bis(benzoic acid) Ligand","Crystal Growth & Design","2011","11","6","2257","","10.1021/cg1016752","","","0.71073","MoKα","","0.1358","0.0579","","","0.0915","0.1199","","","","","","1.001","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500549","19.9107","0.0008","18.7741","0.0008","25.054","0.001","90","","108.434","0.001","90","","8884.8","0.6","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H74 Co3 F24 N2 O16 -","- C84 H70 Co3 F24 N2 O16 -","- C336 H280 Co12 F96 N8 O64 -","4","0.5","","Wang, Xiqu; Liu, Lumei; Conato, Marlon; Jacobson, Allan J.","Amine-Templated Anionic Metal‒Organic Frameworks with the 4,4′-(Hexafluoroisopropylidene) Bis(benzoic acid) Ligand","Crystal Growth & Design","2011","11","6","2257","","10.1021/cg1016752","","","0.71073","MoKα","","0.053","0.0362","","","0.0958","0.1015","","","","","","1.027","","","","has coordinates,has disorder","179536","2020-10-21","18:00:00",""
"4500550","13.4077","0.0008","25.5075","0.0016","13.7566","0.0009","90","","114.712","0.001","90","","4273.9","0.5","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C81 H58 Co3 F24 N2 O16 -","- C81 H58 Co3 F24 N2 O16 -","- C162 H116 Co6 F48 N4 O32 -","2","0.5","","Wang, Xiqu; Liu, Lumei; Conato, Marlon; Jacobson, Allan J.","Amine-Templated Anionic Metal‒Organic Frameworks with the 4,4′-(Hexafluoroisopropylidene) Bis(benzoic acid) Ligand","Crystal Growth & Design","2011","11","6","2257","","10.1021/cg1016752","","","0.71073","MoKα","","0.0647","0.0379","","","0.0839","0.0923","","","","","","0.867","","","","has coordinates,has disorder","179536","2020-10-21","18:00:00",""
"4500551","8.0552","0.0008","11.557","0.0011","10.2634","0.001","90","","107.105","0.002","90","","913.2","0.15","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C10 H16 I2 N4 Se2 -","- C10 H16 I2 N4 Se2 -","- C20 H32 I4 N8 Se4 -","2","1","","Roy, Gouriprasanna; Bhabak, Krishna P.; Mugesh, Govindasamy","Interactions of Antithyroid Drugs and Their Analogues with Halogens and their Biological Implications","Crystal Growth & Design","2011","11","6","2279","","10.1021/cg101688v","","","0.71073","MoKα","","0.0375","0.0305","","","0.0523","0.0548","","","","","","0.957","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500552","11.207","0.002","8.1064","0.0016","30.386","0.006","90","","90","","90","","2760.5","0.9","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H12 Br2 N2 Se -","- C11 H12 Br2 N2 Se -","- C88 H96 Br16 N16 Se8 -","8","1","","Roy, Gouriprasanna; Bhabak, Krishna P.; Mugesh, Govindasamy","Interactions of Antithyroid Drugs and Their Analogues with Halogens and their Biological Implications","Crystal Growth & Design","2011","11","6","2279","","10.1021/cg101688v","","","0.71073","MoKα","","0.0841","0.0417","","","0.1247","0.1856","","","","","","0.558","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500553","14.661","0.007","8.451","0.004","23.808","0.011","90","","94.135","0.009","90","","2942","2","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 I2 N2 Se -","- C11 H10 I2 N2 Se -","- C88 H80 I16 N16 Se8 -","8","2","","Roy, Gouriprasanna; Bhabak, Krishna P.; Mugesh, Govindasamy","Interactions of Antithyroid Drugs and Their Analogues with Halogens and their Biological Implications","Crystal Growth & Design","2011","11","6","2279","","10.1021/cg101688v","","","0.71073","MoKα","","0.1175","0.0717","","","0.1946","0.2197","","","","","","1.111","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500554","7.0137","0.0018","11.257","0.003","35.392","0.009","90","","90","","90","","2794.3","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H12 Br2 N4 Se2 -","- C8 H12 Br2 N4 Se2 -","- C64 H96 Br16 N32 Se16 -","8","1","","Roy, Gouriprasanna; Bhabak, Krishna P.; Mugesh, Govindasamy","Interactions of Antithyroid Drugs and Their Analogues with Halogens and their Biological Implications","Crystal Growth & Design","2011","11","6","2279","","10.1021/cg101688v","","","0.71073","MoKα","","0.0947","0.0531","","","0.1542","0.1989","","","","","","0.688","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500555","10.514","0.005","10.655","0.005","12.295","0.006","97.351","0.009","112.286","0.008","113.523","0.008","1103.4","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","anderson","","","- C24 H20 Cr Mo6 N4 Na O36 -","- C24 H20 Cr Mo6 N4 Na O36 -","- C24 H20 Cr Mo6 N4 Na O36 -","1","0.5","","Singh, Monika; Ramanan, Arunachalam","Crystal Engineering of Polyoxomolybdates Based Metal‒Organic Solids: The Case of Chromium Molybdate Cluster Based Metal Complexes and Coordination Polymers","Crystal Growth & Design","2011","11","8","3381","","10.1021/cg101695w","","","0.71073","MoKα","","0.0521","0.0476","","","0.0997","0.1021","","","","","","1.136","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500556","10.5998","0.0012","11.8436","0.0014","13.1423","0.0016","102.363","0.002","111.815","0.003","107.759","0.002","1355","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","anderson","","","- C24 H20 Cr Mo6 N4 Ni O48 -","- C24 H20 Cr Mo6 N4 Ni O48 -","- C24 H20 Cr Mo6 N4 Ni O48 -","1","0.5","","Singh, Monika; Ramanan, Arunachalam","Crystal Engineering of Polyoxomolybdates Based Metal‒Organic Solids: The Case of Chromium Molybdate Cluster Based Metal Complexes and Coordination Polymers","Crystal Growth & Design","2011","11","8","3381","","10.1021/cg101695w","","","0.71073","MoKα","","0.0769","0.0647","","","0.1314","0.1383","","","","","","1.108","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500557","10.559","0.004","11.819","0.004","13.105","0.005","102.202","0.006","111.925","0.005","107.706","0.006","1344.1","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","anderson","","","- C24 H20 Cr Cu Mo6 N4 O46 -","- C24 H20 Cr Cu Mo6 N4 O46 -","- C24 H20 Cr Cu Mo6 N4 O46 -","1","0.5","","Singh, Monika; Ramanan, Arunachalam","Crystal Engineering of Polyoxomolybdates Based Metal‒Organic Solids: The Case of Chromium Molybdate Cluster Based Metal Complexes and Coordination Polymers","Crystal Growth & Design","2011","11","8","3381","","10.1021/cg101695w","","","0.71073","MoKα","","0.1006","0.092","","","0.1806","0.1853","","","","","","1.225","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500558","22.084","0.003","9.4366","0.0011","21.011","0.003","90","","98.517","0.002","90","","4330.4","1","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","anderson","","","- C24 H20 Cr Mo6 N4 Na O34 -","- C24 H20 Cr Mo6 N4 Na O34 -","- C96 H80 Cr4 Mo24 N16 Na4 O136 -","4","0.5","","Singh, Monika; Ramanan, Arunachalam","Crystal Engineering of Polyoxomolybdates Based Metal‒Organic Solids: The Case of Chromium Molybdate Cluster Based Metal Complexes and Coordination Polymers","Crystal Growth & Design","2011","11","8","3381","","10.1021/cg101695w","","","0.71073","MoKα","","0.0429","0.0413","","","0.0851","0.0854","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500559","10.6636","0.0015","17.262","0.003","14.054","0.0019","90","","108.948","0.003","90","","2446.8","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","anderson","","","- C10 H6 Co2 Cr Mo6 N4 O49 -","- C10 H6 Co2 Cr Mo6 N4 O49 -","- C20 H12 Co4 Cr2 Mo12 N8 O98 -","2","0.5","","Singh, Monika; Ramanan, Arunachalam","Crystal Engineering of Polyoxomolybdates Based Metal‒Organic Solids: The Case of Chromium Molybdate Cluster Based Metal Complexes and Coordination Polymers","Crystal Growth & Design","2011","11","8","3381","","10.1021/cg101695w","","","0.71073","MoKα","","0.0595","0.0541","","","0.1171","0.1198","","","","","","1.178","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500560","10.8805","0.0017","17.084","0.003","13.59","0.002","90","","107.703","0.003","90","","2406.5","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","anderson","","","- C10 H6 Cr Cu2 Mo6 N4 O49 -","- C10 H6 Cr Cu2 Mo6 N4 O49 -","- C20 H12 Cr2 Cu4 Mo12 N8 O98 -","2","0.5","","Singh, Monika; Ramanan, Arunachalam","Crystal Engineering of Polyoxomolybdates Based Metal‒Organic Solids: The Case of Chromium Molybdate Cluster Based Metal Complexes and Coordination Polymers","Crystal Growth & Design","2011","11","8","3381","","10.1021/cg101695w","","","0.71073","MoKα","","0.0608","0.0431","","","0.1073","0.1171","","","","","","1.045","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500561","8.6671","0.0006","11.678","0.001","19.4868","0.0017","81.592","0.004","80.848","0.004","68.625","0.004","1804.9","0.3","230","2","230","2","","","","","","","","3","P 1","P 1","1","","","","- C26 H32 N6 -","- C26 H32 N6 -","- C78 H96 N18 -","3","3","","Carrión, M. Carmen; Ortiz, Isabel M.; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.; Elguero, José","Ag(I) and Cu(I) [2 ×2] Chiral Grids Containing Pyrimidine Ligands with Camphor Moieties. Arene Encapsulation","Crystal Growth & Design","2011","11","5","1766","","10.1021/cg101709q","","","0.71073","MoKα","","0.1466","0.0713","","","0.167","0.2226","","","","","","0.962","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500562","29.141","0.002","29.141","0.002","17.527","0.003","90","","90","","90","","14884","3","180","2","180","2","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C130 H156 B4 Cu4 F16 N24 -","- C130 H156 B4 Cu4 F16 N24 -","- C520 H624 B16 Cu16 F64 N96 -","4","0.25","","Carrión, M. Carmen; Ortiz, Isabel M.; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.; Elguero, José","Ag(I) and Cu(I) [2 ×2] Chiral Grids Containing Pyrimidine Ligands with Camphor Moieties. Arene Encapsulation","Crystal Growth & Design","2011","11","5","1766","","10.1021/cg101709q","","","0.71073","MoKα","","0.1732","0.0712","","","0.1769","0.1956","","","","","","0.811","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500563","29.1306","0.001","29.1306","0.001","18.2305","0.0013","90","","90","","90","","15470.3","1.3","180","2","180","2","","","","","","","","6","I 41 2 2","I 4bw 2bw","98","","","","- C118 H142 Ag4 B4 F16 N24 -","- C118 H142 Ag4 B4 F16 N24 -","- C472 H568 Ag16 B16 F64 N96 -","4","0.25","","Carrión, M. Carmen; Ortiz, Isabel M.; Jalón, Félix A.; Manzano, Blanca R.; Rodríguez, Ana M.; Elguero, José","Ag(I) and Cu(I) [2 ×2] Chiral Grids Containing Pyrimidine Ligands with Camphor Moieties. Arene Encapsulation","Crystal Growth & Design","2011","11","5","1766","","10.1021/cg101709q","","","0.71073","MoKα","","0.113","0.0641","","","0.1508","0.1704","","","","","","0.896","","","","has coordinates,has disorder","179536","2020-10-21","18:00:00",""
"4500564","12.9036","0.0005","11.9095","0.0003","22.3016","0.001","90","","91.791","0.004","90","","3425.5","0.2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H48 Cu4 N10 O40 Si W12 -","- C35 H48 Cu4 N10 O40 Si W12 -","- C70 H96 Cu8 N20 O80 Si2 W24 -","2","0.5","","Liu, Hai-Yan; Wu, Hua; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang; Bai, Hong-Ye","Solvothermal Assembly of a Series of Organic‒Inorganic Hybrid Materials Constructed from Keggin Polyoxometalate Clusters and Copper(I)‒Organic Frameworks","Crystal Growth & Design","2011","11","5","1786","","10.1021/cg1017246","","","0.71073","MoKα","","0.1604","0.0582","","","0.1212","0.1477","","","","","","0.874","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4500565","22.254","0.005","11.464","0.005","23.344","0.005","90","0.005","90","0.005","90","0.005","5956","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H32 Cu4 N8 O40 Si W12 -","- C24 H32 Cu4 N8 O40 Si W12 -","- C96 H128 Cu16 N32 O160 Si4 W48 -","4","0.5","","Liu, Hai-Yan; Wu, Hua; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang; Bai, Hong-Ye","Solvothermal Assembly of a Series of Organic‒Inorganic Hybrid Materials Constructed from Keggin Polyoxometalate Clusters and Copper(I)‒Organic Frameworks","Crystal Growth & Design","2011","11","5","1786","","10.1021/cg1017246","","","0.71073","MoKα","","0.1174","0.0694","","","0.1658","0.1838","","","","","","0.997","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500566","24.8","0.005","11.392","0.005","25.025","0.005","90","0.005","116.474","0.005","90","0.005","6329","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Cu4 N8 O42 Si W12 -","- C24 H32 Cu4 N8 O42 Si W12 -","- C96 H128 Cu16 N32 O168 Si4 W48 -","4","0.5","","Liu, Hai-Yan; Wu, Hua; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang; Bai, Hong-Ye","Solvothermal Assembly of a Series of Organic‒Inorganic Hybrid Materials Constructed from Keggin Polyoxometalate Clusters and Copper(I)‒Organic Frameworks","Crystal Growth & Design","2011","11","5","1786","","10.1021/cg1017246","","","0.71069","MoKα","","0.0824","0.0389","","","0.0789","0.0872","","","","","","0.892","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500567","12.6564","0.0005","22.9398","0.001","24.7425","0.0009","90","","99.04","0.003","90","","7094.4","0.5","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H50 Cu4 N8 O41 Si W12 -","- C32 H48 Cu4 N8 O41 Si W12 -","- C128 H192 Cu16 N32 O164 Si4 W48 -","4","0.5","","Liu, Hai-Yan; Wu, Hua; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang; Bai, Hong-Ye","Solvothermal Assembly of a Series of Organic‒Inorganic Hybrid Materials Constructed from Keggin Polyoxometalate Clusters and Copper(I)‒Organic Frameworks","Crystal Growth & Design","2011","11","5","1786","","10.1021/cg1017246","","","0.71073","MoKα","","0.086","0.0382","","","0.0656","0.0703","","","","","","0.735","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500568","23.4725","0.0007","12.0745","0.0003","23.1288","0.0007","90","","112.811","0.004","90","","6042.4","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H35 Cu4 Mo12 N8 O41.5 P -","- C24 H32 Cu4 Mo12 N8 O41.5 P -","- C96 H128 Cu16 Mo48 N32 O166 P4 -","4","0.5","","Liu, Hai-Yan; Wu, Hua; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang; Bai, Hong-Ye","Solvothermal Assembly of a Series of Organic‒Inorganic Hybrid Materials Constructed from Keggin Polyoxometalate Clusters and Copper(I)‒Organic Frameworks","Crystal Growth & Design","2011","11","5","1786","","10.1021/cg1017246","","","0.71073","MoKα","","0.092","0.0416","","","0.0867","0.0964","","","","","","0.859","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500569","17.592","0.005","22.091","0.005","15.733","0.005","90","0.005","90","0.005","90","0.005","6114","3","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C28 H40 Cu3 Mo12 N8 O41 P -","- C28 H40 Cu3 Mo12 N8 O41 P -","- C112 H160 Cu12 Mo48 N32 O164 P4 -","4","0.5","","Liu, Hai-Yan; Wu, Hua; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang; Bai, Hong-Ye","Solvothermal Assembly of a Series of Organic‒Inorganic Hybrid Materials Constructed from Keggin Polyoxometalate Clusters and Copper(I)‒Organic Frameworks","Crystal Growth & Design","2011","11","5","1786","","10.1021/cg1017246","","","0.71069","MoKα","","0.125","0.0835","","","0.1684","0.1777","","","","","","1.155","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500570","12.8567","0.0004","11.8861","0.0003","22.4652","0.0007","90","","92.158","0.003","90","","3430.61","0.17","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H38 Cu4 Mo12 N10 O40 P -","- C35 H38 Cu4 Mo12 N10 O40 P -","- C70 H76 Cu8 Mo24 N20 O80 P2 -","2","0.5","","Liu, Hai-Yan; Wu, Hua; Yang, Jin; Liu, Ying-Ying; Ma, Jian-Fang; Bai, Hong-Ye","Solvothermal Assembly of a Series of Organic‒Inorganic Hybrid Materials Constructed from Keggin Polyoxometalate Clusters and Copper(I)‒Organic Frameworks","Crystal Growth & Design","2011","11","5","1786","","10.1021/cg1017246","","","0.71073","MoKα","","0.1413","0.0586","","","0.1482","0.1745","","","","","","0.844","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4500571","10.049","0.002","15.041","0.003","20.708","0.004","101.561","0.002","93.894","0.003","105.461","0.003","2931","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Zn(bdc)L1]","","","- C28 H16 N2 O4 Zn -","- C28 H16 N2 O4 Zn -","- C112 H64 N8 O16 Zn4 -","4","2","","Yamada, Teppei; Iwakiri, Shoji; Hara, Takafumi; Kanaizuka, Katsuhiko; Kurmoo, Mohamedally; Kitagawa, Hiroshi","Porous Interpenetrating Metal−Organic Frameworks with Hierarchical Nodes","Crystal Growth & Design","2011","11","5","1798","","10.1021/cg1017278","","","0.71073","MoKα","","0.1065","0.0879","","","0.2144","0.2215","","","","","","1.09","","","","has coordinates,has disorder","179536","2020-10-21","18:00:00",""
"4500572","27.406","0.004","14.461","0.002","25.124","0.004","90","","94.255","0.002","90","","9930","3","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","[Zn3(bpdc)3L1]","","","- C24 H14 N O4 Zn -","- C19.5789 H11.3684 N0.631579 O3.78947 Zn0.947368 -","- C372 H216 N12 O72 Zn18 -","19","4.75","","Yamada, Teppei; Iwakiri, Shoji; Hara, Takafumi; Kanaizuka, Katsuhiko; Kurmoo, Mohamedally; Kitagawa, Hiroshi","Porous Interpenetrating Metal−Organic Frameworks with Hierarchical Nodes","Crystal Growth & Design","2011","11","5","1798","","10.1021/cg1017278","","","0.71073","MoKα","","0.1476","0.0991","","","0.283","0.3097","","","","","","1.048","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500573","17.83","","23.277","","24.071","","95.14","","90.32","","102.22","","9721.45","","293","2","100","2","","","","","","","","6","P -1","-P 1","2","[Zn2(sbpdc)2L1]","","","- C48 H24 N2 O12 S2 Zn2 -","- C288 H138 N12 O72 S12 Zn12 -","- C288 H138 N12 O72 S12 Zn12 -","1","0.5","","Yamada, Teppei; Iwakiri, Shoji; Hara, Takafumi; Kanaizuka, Katsuhiko; Kurmoo, Mohamedally; Kitagawa, Hiroshi","Porous Interpenetrating Metal−Organic Frameworks with Hierarchical Nodes","Crystal Growth & Design","2011","11","5","1798","","10.1021/cg1017278","","","0.71073","MoKα","","0.1031","0.0501","","","0.1218","0.1344","","","","","","0.829","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500574","13.8963","0.0017","23.221","0.003","18.872","0.002","90","","103.102","0.001","90","","5931.2","1.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Zn2(sbpdc)2(bpy)]","","","- C38 H20 N2 O12 S2 Zn2 -","- C38 H20 N2 O12 S2 Zn2 -","- C152 H80 N8 O48 S8 Zn8 -","4","1","","Yamada, Teppei; Iwakiri, Shoji; Hara, Takafumi; Kanaizuka, Katsuhiko; Kurmoo, Mohamedally; Kitagawa, Hiroshi","Porous Interpenetrating Metal−Organic Frameworks with Hierarchical Nodes","Crystal Growth & Design","2011","11","5","1798","","10.1021/cg1017278","","","0.71073","MoKα","","0.036","0.0295","","","0.075","0.0773","","","","","","1.075","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500575","13.488","0.006","24.834","0.013","8.409","0.004","90","","98.917","0.008","90","","2783","2","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H27 N3 O6 Zn -","- C31 H27 N3 O6 Zn -","- C124 H108 N12 O24 Zn4 -","4","1","","Sharma, Manish K.; Lama, Prem; Bharadwaj, Parimal K.","Reversible Single-Crystal to Single-Crystal Exchange of Guests in a Seven-Fold Interpenetrated Diamondoid Coordination Polymer","Crystal Growth & Design","2011","11","4","1411","","10.1021/cg101731j","","","0.71073","MoKα","","0.0699","0.0577","","","0.1155","0.1257","","","","","","1.015","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500576","13.187","0.008","24.889","0.018","8.666","0.005","90","","102.644","0.011","90","","2775","3","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H26 N2 O5 Zn -","- C31 H26 N2 O5 Zn -","- C124 H104 N8 O20 Zn4 -","4","1","","Sharma, Manish K.; Lama, Prem; Bharadwaj, Parimal K.","Reversible Single-Crystal to Single-Crystal Exchange of Guests in a Seven-Fold Interpenetrated Diamondoid Coordination Polymer","Crystal Growth & Design","2011","11","4","1411","","10.1021/cg101731j","","","0.71073","MoKα","","0.1055","0.0684","","","0.1595","0.2231","","","","","","1.065","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500577","12.934","0.005","24.97","0.003","8.715","0.004","90","","103.834","0.005","90","","2733","1.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C30 H23 N3 O4 Zn -","- C30 H23 N3 O4 Zn -","- C120 H92 N12 O16 Zn4 -","4","1","","Sharma, Manish K.; Lama, Prem; Bharadwaj, Parimal K.","Reversible Single-Crystal to Single-Crystal Exchange of Guests in a Seven-Fold Interpenetrated Diamondoid Coordination Polymer","Crystal Growth & Design","2011","11","4","1411","","10.1021/cg101731j","","","0.71073","MoKα","","0.1697","0.0797","","","0.154","0.1942","","","","","","0.972","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500578","13.507","0.004","24.837","0.01","8.406","0.003","90","","98.841","0.005","90","","2786.5","1.7","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H27 N3 O5 Zn -","- C31 H27 N3 O5 Zn -","- C124 H108 N12 O20 Zn4 -","4","1","","Sharma, Manish K.; Lama, Prem; Bharadwaj, Parimal K.","Reversible Single-Crystal to Single-Crystal Exchange of Guests in a Seven-Fold Interpenetrated Diamondoid Coordination Polymer","Crystal Growth & Design","2011","11","4","1411","","10.1021/cg101731j","","","0.71073","MoKα","","0.0828","0.0584","","","0.1438","0.2191","","","","","","1.198","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500579","8.619","0.002","17.959","0.003","8.135","0.002","90","","110.828","0.014","90","","1176.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 O9 Pr S -","- C7 H8 O9 Pr S -","- C28 H32 O36 Pr4 S4 -","4","1","","Xu, Jing; Cheng, Jianwen; Su, Weiping; Hong, Maochun","Effect of Lanthanide Contraction on Crystal Structures of Three-Dimensional Lanthanide Based Metal‒Organic Frameworks with Thiophene-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2011","11","6","2294","","10.1021/cg101736e","","","0.71073","MoKα","","0.0498","0.0459","","","0.1206","0.1333","","","","","","1.217","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500580","8.591","0.002","17.914","0.003","8.1002","0.0018","90","","110.854","0.014","90","","1164.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 Nd O9 S -","- C7 H8 Nd O9 S -","- C28 H32 Nd4 O36 S4 -","4","1","","Xu, Jing; Cheng, Jianwen; Su, Weiping; Hong, Maochun","Effect of Lanthanide Contraction on Crystal Structures of Three-Dimensional Lanthanide Based Metal‒Organic Frameworks with Thiophene-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2011","11","6","2294","","10.1021/cg101736e","","","0.71073","MoKα","","0.0374","0.0358","","","0.1013","0.1032","","","","","","1.152","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500581","8.554","0.002","17.844","0.005","8.026","0.002","90","","110.587","0.003","90","","1146.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 O9 S Sm -","- C7 H8 O9 S Sm -","- C28 H32 O36 S4 Sm4 -","4","1","","Xu, Jing; Cheng, Jianwen; Su, Weiping; Hong, Maochun","Effect of Lanthanide Contraction on Crystal Structures of Three-Dimensional Lanthanide Based Metal‒Organic Frameworks with Thiophene-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2011","11","6","2294","","10.1021/cg101736e","","","0.71073","MoKα","","0.0445","0.0412","","","0.106","0.1191","","","","","","1.095","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500582","8.531","0.002","17.79","0.004","7.979","0.002","90","","110.334","0.004","90","","1135.5","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 Gd O9 S -","- C7 H8 Gd O9 S -","- C28 H32 Gd4 O36 S4 -","4","1","","Xu, Jing; Cheng, Jianwen; Su, Weiping; Hong, Maochun","Effect of Lanthanide Contraction on Crystal Structures of Three-Dimensional Lanthanide Based Metal‒Organic Frameworks with Thiophene-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2011","11","6","2294","","10.1021/cg101736e","","","0.71073","MoKα","","0.0395","0.0383","","","0.1074","0.1088","","","","","","1.151","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500583","19.2794","0.0014","9.8604","0.0005","12.4549","0.001","90","","106.871","0.004","90","","2265.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 Dy O9 S -","- C7 H8 Dy O9 S -","- C56 H64 Dy8 O72 S8 -","8","1","","Xu, Jing; Cheng, Jianwen; Su, Weiping; Hong, Maochun","Effect of Lanthanide Contraction on Crystal Structures of Three-Dimensional Lanthanide Based Metal‒Organic Frameworks with Thiophene-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2011","11","6","2294","","10.1021/cg101736e","","","0.71073","MoKα","","0.042","0.0368","","","0.0923","0.0967","","","","","","1.117","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500584","19.25","0.02","9.796","0.009","12.388","0.013","90","","106.392","0.017","90","","2241","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 Er O9 S -","- C7 H8 Er O9 S -","- C56 H64 Er8 O72 S8 -","8","1","","Xu, Jing; Cheng, Jianwen; Su, Weiping; Hong, Maochun","Effect of Lanthanide Contraction on Crystal Structures of Three-Dimensional Lanthanide Based Metal‒Organic Frameworks with Thiophene-2,5-Dicarboxylate and Oxalate","Crystal Growth & Design","2011","11","6","2294","","10.1021/cg101736e","","","0.71073","MoKα","","0.0681","0.0419","","","0.1251","0.1989","","","","","","1.049","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500585","11.338","0.006","13.308","0.007","20.793","0.008","93.411","0.008","92.971","0.008","98.712","0.008","3090","3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C125 H156 N20 O17 P4 -","- C125 H156 N20 O17 P4 -","- C125 H156 N20 O17 P4 -","1","0.5","","Kumara Swamy, K. C.; Allu, Srinivasarao; Srinivas, Venu; Balaraman, E.; Kumar, K. V. P. Pavan","Alkynyl and Phosphonyl Substituted Nucleobases: A Case of Thermally Induced Conformational Polymorphism","Crystal Growth & Design","2011","11","6","2302","","10.1021/cg101737x","","","0.71073","MoKα","","0.1168","0.0762","","","0.1749","0.1936","","","","","","1.032","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500586","11.211","0.003","8.249","0.002","12.563","0.003","90","","102.41","0.03","90","","1134.7","0.5","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N5 -","- C11 H13 N5 -","- C44 H52 N20 -","4","1","","Kumara Swamy, K. C.; Allu, Srinivasarao; Srinivas, Venu; Balaraman, E.; Kumar, K. V. P. Pavan","Alkynyl and Phosphonyl Substituted Nucleobases: A Case of Thermally Induced Conformational Polymorphism","Crystal Growth & Design","2011","11","6","2302","","10.1021/cg101737x","","","0.71073","MoKα","","0.1125","0.0864","","","0.2748","0.2981","","","","","","1.143","","","","has coordinates,has disorder","179536","2020-10-21","18:00:00",""
"4500587","8.271","0.001","11.522","0.001","12.058","0.001","101.27","0.01","96.38","0.01","100.33","0.01","1095.9","0.2","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C11 H13 N5 -","- C11 H13 N5 -","- C44 H52 N20 -","4","2","","Kumara Swamy, K. C.; Allu, Srinivasarao; Srinivas, Venu; Balaraman, E.; Kumar, K. V. P. Pavan","Alkynyl and Phosphonyl Substituted Nucleobases: A Case of Thermally Induced Conformational Polymorphism","Crystal Growth & Design","2011","11","6","2302","","10.1021/cg101737x","","","0.71073","MoKα","","0.123","0.0862","","","0.2802","0.2915","","","","","","1.122","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500588","22.836","0.003","8.177","0.001","11.577","0.001","90","","94.29","0.002","90","","2155.7","0.4","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H37 N5 -","- C21 H37 N5 -","- C84 H148 N20 -","4","1","","Kumara Swamy, K. C.; Allu, Srinivasarao; Srinivas, Venu; Balaraman, E.; Kumar, K. V. P. Pavan","Alkynyl and Phosphonyl Substituted Nucleobases: A Case of Thermally Induced Conformational Polymorphism","Crystal Growth & Design","2011","11","6","2302","","10.1021/cg101737x","","","0.71073","MoKα","","0.1173","0.059","","","0.1427","0.1673","","","","","","0.998","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500589","17.181","0.003","8.113","0.001","11.691","0.002","90","","107.45","0.02","90","","1554.6","0.5","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 N5 -","- C15 H23 N5 -","- C60 H92 N20 -","4","1","","Kumara Swamy, K. C.; Allu, Srinivasarao; Srinivas, Venu; Balaraman, E.; Kumar, K. V. P. Pavan","Alkynyl and Phosphonyl Substituted Nucleobases: A Case of Thermally Induced Conformational Polymorphism","Crystal Growth & Design","2011","11","6","2302","","10.1021/cg101737x","","","0.71073","MoKα","","0.0764","0.053","","","0.1539","0.1647","","","","","","1.111","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500590","5.444","0.002","18.033","0.008","9.563","0.004","90","","99.228","0.008","90","","926.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Kumara Swamy, K. C.; Allu, Srinivasarao; Srinivas, Venu; Balaraman, E.; Kumar, K. V. P. Pavan","Alkynyl and Phosphonyl Substituted Nucleobases: A Case of Thermally Induced Conformational Polymorphism","Crystal Growth & Design","2011","11","6","2302","","10.1021/cg101737x","","","0.71073","MoKα","","0.0747","0.0596","","","0.1196","0.1264","","","","","","1.128","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500591","8.32","0.001","11.292","0.001","24.911","0.002","102.669","0.006","91.003","0.005","91.806","0.006","2281.5","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 N5 O3 P -","- C23 H24 N5 O3 P -","- C92 H96 N20 O12 P4 -","4","2","","Kumara Swamy, K. C.; Allu, Srinivasarao; Srinivas, Venu; Balaraman, E.; Kumar, K. V. P. Pavan","Alkynyl and Phosphonyl Substituted Nucleobases: A Case of Thermally Induced Conformational Polymorphism","Crystal Growth & Design","2011","11","6","2302","","10.1021/cg101737x","","","0.71073","MoKα","","0.1619","0.0745","","","0.1349","0.1745","","","","","","0.993","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500592","8.209","0.001","17.912","0.002","25.091","0.003","90","","103.615","0.004","90","","3585.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 N5 O3 P -","- C15 H24 N5 O3 P -","- C120 H192 N40 O24 P8 -","8","2","","Kumara Swamy, K. C.; Allu, Srinivasarao; Srinivas, Venu; Balaraman, E.; Kumar, K. V. P. Pavan","Alkynyl and Phosphonyl Substituted Nucleobases: A Case of Thermally Induced Conformational Polymorphism","Crystal Growth & Design","2011","11","6","2302","","10.1021/cg101737x","","","0.71073","MoKα","","0.1187","0.0746","","","0.1532","0.175","","","","","","1.031","","","","has coordinates","179536","2020-10-21","18:00:00",""
"4500593","11.899","0.0006","12.712","0.0007","14.019","0.0007","67","0.005","72.669","0.004","79.114","0.004","1856.98","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H64 Cd2 N14 O9 -","- C82 H64 Cd2 N14 O9 -","- C82 H64 Cd2 N14 O9 -","1","0.5","","Wu, Hua; Liu, Hai-Yan; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Liu, Ying-Ying; Liu, Yun-Yu","Series of Coordination Polymers Based on Different Carboxylates and a Tri(4-imidazolylphenyl)amine Ligand: Entangled Structures and Photoluminescence","Crystal Growth & Design","2011","11","6","2317","","10.1021/cg200005q","","","0.71073","MoKα","","0.1014","0.0463","","","0.0713","0.0802","","","","","","0.812","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500594","10.1973","0.001","18.464","0.002","18.495","0.002","90","","104.565","0.01","90","","3370.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H27 Cd N8 O5 -","- C35 H25 Cd N8 O5 -","- C140 H100 Cd4 N32 O20 -","4","1","","Wu, Hua; Liu, Hai-Yan; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Liu, Ying-Ying; Liu, Yun-Yu","Series of Coordination Polymers Based on Different Carboxylates and a Tri(4-imidazolylphenyl)amine Ligand: Entangled Structures and Photoluminescence","Crystal Growth & Design","2011","11","6","2317","","10.1021/cg200005q","","","0.71073","MoKα","","0.1727","0.0701","","","0.1659","0.1847","","","","","","0.971","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500595","12.055","0.0003","9.957","0.0002","29.093","0.0006","90","","98.02","0.002","90","","3457.93","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Cd N8 O6 -","- C36 H29 Cd N8 O6 -","- C144 H116 Cd4 N32 O24 -","4","1","","Wu, Hua; Liu, Hai-Yan; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Liu, Ying-Ying; Liu, Yun-Yu","Series of Coordination Polymers Based on Different Carboxylates and a Tri(4-imidazolylphenyl)amine Ligand: Entangled Structures and Photoluminescence","Crystal Growth & Design","2011","11","6","2317","","10.1021/cg200005q","","","0.71069","MoKα","","0.0538","0.0329","","","0.0702","0.0749","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500596","14.9127","0.0002","9.2663","0.0003","27.2481","0.0004","90","","98.253","0.001","90","","3726.3","0.14","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C42 H33 Cd N8 O5 -","- C42 H33 Cd N8 O5 -","- C168 H132 Cd4 N32 O20 -","4","1","","Wu, Hua; Liu, Hai-Yan; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Liu, Ying-Ying; Liu, Yun-Yu","Series of Coordination Polymers Based on Different Carboxylates and a Tri(4-imidazolylphenyl)amine Ligand: Entangled Structures and Photoluminescence","Crystal Growth & Design","2011","11","6","2317","","10.1021/cg200005q","","","1.54184","CuKα","","0.1039","0.0654","","","0.1606","0.1874","","","","","","0.995","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500597","10.112","0.0003","18.386","0.0007","18.473","0.0006","90","","104.583","0.004","90","","3323.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 Mn N8 O5 -","- C35 H24 Mn N8 O5 -","- C140 H96 Mn4 N32 O20 -","4","1","","Wu, Hua; Liu, Hai-Yan; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Liu, Ying-Ying; Liu, Yun-Yu","Series of Coordination Polymers Based on Different Carboxylates and a Tri(4-imidazolylphenyl)amine Ligand: Entangled Structures and Photoluminescence","Crystal Growth & Design","2011","11","6","2317","","10.1021/cg200005q","","","0.71073","MoKα","","0.1237","0.0564","","","0.1297","0.1448","","","","","","0.855","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500598","22.466","0.0001","22.466","0.0001","13.387","0.0001","90","","90","","90","","6756.7","0.07","293","2","293","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C124 H108 Cl4 N28 Ni4 O16 -","- C124 H108 Cl4 N28 Ni4 O16 -","- C248 H216 Cl8 N56 Ni8 O32 -","2","0.25","","Wu, Hua; Liu, Hai-Yan; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Liu, Ying-Ying; Liu, Yun-Yu","Series of Coordination Polymers Based on Different Carboxylates and a Tri(4-imidazolylphenyl)amine Ligand: Entangled Structures and Photoluminescence","Crystal Growth & Design","2011","11","6","2317","","10.1021/cg200005q","","","1.54184","CuKα","","0.074","0.0591","","","0.1822","0.1963","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500599","11.048","0.0003","11.563","0.0004","16.169","0.0007","76.974","0.004","89.733","0.003","63.126","0.004","1783.8","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H55 N14 Ni2 O21 -","- C74 H50 N14 Ni2 O20.5 -","- C74 H50 N14 Ni2 O20.5 -","1","0.5","","Wu, Hua; Liu, Hai-Yan; Yang, Jin; Liu, Bo; Ma, Jian-Fang; Liu, Ying-Ying; Liu, Yun-Yu","Series of Coordination Polymers Based on Different Carboxylates and a Tri(4-imidazolylphenyl)amine Ligand: Entangled Structures and Photoluminescence","Crystal Growth & Design","2011","11","6","2317","","10.1021/cg200005q","","","0.71069","MoKα","","0.0664","0.052","","","0.1487","0.1565","","","","","","1.011","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500600","27.324","0.017","6.433","0.003","14.561","0.008","90","","101.14","0.018","90","","2511","2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H20 N O4 -","- C13 H20 N O4 -","- C104 H160 N8 O32 -","8","1","","André, Vânia; Fernandes, Auguste; Santos, Pedro Paulo; Duarte, M. Teresa","On the Track of New Multicomponent Gabapentin Crystal Forms: Synthon Competition and pH Stability","Crystal Growth & Design","2011","11","6","2325","","10.1021/cg200008z","","","0.71069","MoKα","","0.0922","0.0455","","","0.092","0.1035","","","","","","0.922","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500601","16.526","0.0007","16.929","0.001","6.561","0.001","90","","92.23","0.007","90","","1834.2","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","GBP_TrimesicAcid_hydrate","","","- C18 H25 N O9 -","- C18 H25 N O9 -","- C72 H100 N4 O36 -","4","1","","André, Vânia; Fernandes, Auguste; Santos, Pedro Paulo; Duarte, M. Teresa","On the Track of New Multicomponent Gabapentin Crystal Forms: Synthon Competition and pH Stability","Crystal Growth & Design","2011","11","6","2325","","10.1021/cg200008z","","","0.71069","MoKα","","0.1579","0.069","","","0.1692","0.1986","","","","","","0.945","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500602","14.341","0.003","9.6028","0.0019","7.2024","0.0014","90","","97.63","0.03","90","","983.1","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 I O5 -","- C8 H7 I O5 -","- C32 H28 I4 O20 -","4","1","","Zang, Shuang-Quan; Fan, Ya-Juan; Li, Jia-Bin; Hou, Hong-Wei; Mak, Thomas C. W.","Halogen Bonding in the Assembly of Coordination Polymers Based on 5-Iodo-Isophthalic Acid","Crystal Growth & Design","2011","11","8","3395","","10.1021/cg200022j","","","0.71073","MoKα","","0.0568","0.052","","","0.167","0.1721","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500603","27.451","0.005","9.517","0.0019","16.842","0.003","90","","122.08","0.03","90","","3728.1","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H24 I2 N4 O9 Zn2 -","- C40 H24 I2 N4 O9 Zn2 -","- C160 H96 I8 N16 O36 Zn8 -","4","0.5","","Zang, Shuang-Quan; Fan, Ya-Juan; Li, Jia-Bin; Hou, Hong-Wei; Mak, Thomas C. W.","Halogen Bonding in the Assembly of Coordination Polymers Based on 5-Iodo-Isophthalic Acid","Crystal Growth & Design","2011","11","8","3395","","10.1021/cg200022j","","","0.71073","MoKα","","0.0587","0.0549","","","0.1473","0.1504","","","","","","1.088","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500604","9.926","0.002","10.815","0.002","13.742","0.003","106.53","0.03","94.87","0.03","111.8","0.03","1282.7","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 I N3 O4 Zn -","- C26 H18 I N3 O4 Zn -","- C52 H36 I2 N6 O8 Zn2 -","2","1","","Zang, Shuang-Quan; Fan, Ya-Juan; Li, Jia-Bin; Hou, Hong-Wei; Mak, Thomas C. W.","Halogen Bonding in the Assembly of Coordination Polymers Based on 5-Iodo-Isophthalic Acid","Crystal Growth & Design","2011","11","8","3395","","10.1021/cg200022j","","","0.71073","MoKα","","0.073","0.0515","","","0.0849","0.0937","","","","","","1.038","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500605","10.433","0.005","14.803","0.007","26.493","0.012","90","","109.45","0.017","90","","3858","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H22 Cd2 I2 N4 O8 -","- C40 H22 Cd2 I2 N4 O8 -","- C160 H88 Cd8 I8 N16 O32 -","4","1","","Zang, Shuang-Quan; Fan, Ya-Juan; Li, Jia-Bin; Hou, Hong-Wei; Mak, Thomas C. W.","Halogen Bonding in the Assembly of Coordination Polymers Based on 5-Iodo-Isophthalic Acid","Crystal Growth & Design","2011","11","8","3395","","10.1021/cg200022j","","","0.71073","MoKα","","0.0613","0.0495","","","0.1212","0.1259","","","","","","1.037","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500606","10.247","0.002","14.609","0.003","26.348","0.007","90","","109.29","0.03","90","","3722.8","1.6","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H22 I2 Mn2 N4 O8 -","- C40 H22 I2 Mn2 N4 O8 -","- C160 H88 I8 Mn8 N16 O32 -","4","1","","Zang, Shuang-Quan; Fan, Ya-Juan; Li, Jia-Bin; Hou, Hong-Wei; Mak, Thomas C. W.","Halogen Bonding in the Assembly of Coordination Polymers Based on 5-Iodo-Isophthalic Acid","Crystal Growth & Design","2011","11","8","3395","","10.1021/cg200022j","","","0.71073","MoKα","","0.0337","0.0311","","","0.0626","0.0643","","","","","","1.099","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500607","10.2135","0.0005","13.8853","0.0006","18.1964","0.0008","90","","103.173","0.001","90","","2512.7","0.2","296","2","296","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C80 H52 I4 Mn4 N8 O21 -","- C80 H52 I4 Mn4 N8 O21 -","- C80 H52 I4 Mn4 N8 O21 -","1","0.25","","Zang, Shuang-Quan; Fan, Ya-Juan; Li, Jia-Bin; Hou, Hong-Wei; Mak, Thomas C. W.","Halogen Bonding in the Assembly of Coordination Polymers Based on 5-Iodo-Isophthalic Acid","Crystal Growth & Design","2011","11","8","3395","","10.1021/cg200022j","","","0.71073","MoKα","","0.0696","0.0561","","","0.1982","0.2077","","","","","","1.095","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500608","10.22","0.01","14.56","0.01","15.01","0.01","90","","104.85","0.02","90","","2159","3","298","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Co I N4 O4 -","- C22 H17 Co I N4 O4 -","- C88 H68 Co4 I4 N16 O16 -","4","1","","Zang, Shuang-Quan; Fan, Ya-Juan; Li, Jia-Bin; Hou, Hong-Wei; Mak, Thomas C. W.","Halogen Bonding in the Assembly of Coordination Polymers Based on 5-Iodo-Isophthalic Acid","Crystal Growth & Design","2011","11","8","3395","","10.1021/cg200022j","","","0.71073","MoKα","","0.1085","0.0545","","","0.0638","0.0705","","","","","","1.02","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500609","24.231","0.0004","10.1656","0.0007","19.5257","0.0003","90","","114.942","0.001","90","","4361.1","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 Co I N4 O4 -","- C22 H17 Co I N4 O4 -","- C176 H136 Co8 I8 N32 O32 -","8","1","","Zang, Shuang-Quan; Fan, Ya-Juan; Li, Jia-Bin; Hou, Hong-Wei; Mak, Thomas C. W.","Halogen Bonding in the Assembly of Coordination Polymers Based on 5-Iodo-Isophthalic Acid","Crystal Growth & Design","2011","11","8","3395","","10.1021/cg200022j","","","0.71073","MoKα","","0.0543","0.0329","","","0.0699","0.0787","","","","","","1.03","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500610","6.1475","0.0005","13.1349","0.001","10.5981","0.0009","90","","99.16","0.008","90","","844.85","0.12","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 Cl N O3 -","- C18 H22 Cl N O3 -","- C36 H44 Cl2 N2 O6 -","2","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0511","0.0459","","","0.1092","0.1115","","","","","","1.131","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500611","10.4182","0.0006","8.0374","0.0004","20.2501","0.0014","90","","90","","90","","1695.65","0.17","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C18 H22 Cl N O3 -","- C18 H22 Cl N O3 -","- C72 H88 Cl4 N4 O12 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.058","0.0396","","","0.0635","0.0669","","","","","","0.895","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500612","5.8119","0.0002","13.1776","0.0003","12.041","0.0004","90","","103.222","0.003","90","","897.74","0.05","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C36 H48 N4 O12 -","2","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0296","0.0259","","","0.0575","0.0584","","","","","","0.978","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500613","15.6457","0.0003","11.2144","0.0002","21.0605","0.0004","90","","90","","90","","3695.22","0.12","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H24 N2 O6 -","- C18 H24 N2 O6 -","- C144 H192 N16 O48 -","8","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0535","0.0334","","","0.074","0.0774","","","","","","0.917","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500614","5.8318","0.0005","13.0114","0.0007","10.8982","0.0008","90","","97.971","0.004","90","","818.96","0.1","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 F N O3 -","- C18 H22 F N O3 -","- C36 H44 F2 N2 O6 -","2","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.1174","0.058","","","0.1126","0.1347","","","","","","1.022","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500615","24.2192","0.0013","5.7476","0.0003","23.7497","0.0014","90","","96.799","0.006","90","","3282.8","0.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 F N O3 -","- C18 H22 F N O3 -","- C144 H176 F8 N8 O24 -","8","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0694","0.0412","","","0.0907","0.0962","","","","","","0.88","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500616","5.8311","0.0002","12.9695","0.0004","23.552","0.0009","90","","94.839","0.003","90","","1774.81","0.11","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N2 O5 -","- C18 H22 N2 O5 -","- C72 H88 N8 O20 -","4","2","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0564","0.0373","","","0.0591","0.0625","","","","","","0.908","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500617","5.8279","0.0007","12.8112","0.0011","23.307","0.003","90","","91.683","0.013","90","","1739.4","0.3","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O5 -","- C18 H22 N2 O5 -","- C72 H88 N8 O20 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0849","0.0551","","","0.1361","0.1541","","","","","","0.967","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500618","5.9395","0.0008","15.0195","0.0013","9.6906","0.0013","90","","97.506","0.012","90","","857.07","0.18","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C38 H50 N2 O6 -","2","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0625","0.0319","","","0.0474","0.0505","","","","","","0.779","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500619","8.0447","0.0002","10.4716","0.0002","20.2936","0.0004","90","","90","","90","","1709.55","0.06","120","2","120","2","","","","","","","","4","P b c 21","P 2c -2b","29","","","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C76 H100 N4 O12 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0367","0.0329","","","0.0742","0.076","","","","","","1.058","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500620","7.423","0.0002","11.2355","0.0003","10.5683","0.0002","90","","93.59","0.002","90","","879.68","0.04","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H23 N O4 S -","- C17 H23 N O4 S -","- C34 H46 N2 O8 S2 -","2","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0523","0.0382","","","0.0634","0.0659","","","","","","0.924","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500621","10.4282","0.0002","10.8429","0.0001","14.9671","0.0002","90","","94.601","0.001","90","","1686.91","0.04","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O4 S -","- C17 H23 N O4 S -","- C68 H92 N4 O16 S4 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0384","0.0307","","","0.0896","0.0917","","","","","","1.109","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500622","5.9219","0.0012","32.974","0.005","7.1591","0.0012","90","","99.465","0.002","90","","1378.9","0.4","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H40 N2 O8 S2 -","- C24 H40 N2 O8 S2 -","- C48 H80 N4 O16 S4 -","2","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0366","0.0353","","","0.08","0.0804","","","","","","1.199","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500623","5.9393","0.0005","33.056","0.002","7.3071","0.0006","90","","102.924","0.008","90","","1398.26","0.19","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N O4 S -","- C12 H20 N O4 S -","- C48 H80 N4 O16 S4 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","1.5418","CuKα","","0.0807","0.0663","","","0.1701","0.1771","","","","","","1.065","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500624","5.8796","0.0006","21.637","0.003","33.84","0.004","90","","90","","90","","4305","0.9","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H21 N O4 S -","- C12 H21 N O4 S -","- C144 H252 N12 O48 S12 -","12","3","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.1615","0.0963","","","0.1804","0.2209","","","","","","1.073","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500625","5.7618","0.0003","17.4809","0.0011","13.7006","0.0008","90","","95.417","0.005","90","","1373.78","0.14","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H21 N O4 S -","- C12 H21 N O4 S -","- C48 H84 N4 O16 S4 -","4","2","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0679","0.0387","","","0.0687","0.0727","","","","","","0.804","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500626","6.0452","0.0004","13.2486","0.0007","18.0074","0.0009","90","","90","","90","","1442.22","0.14","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H21 N O6 S -","- C11 H20.5 N O6 S -","- C44 H82 N4 O24 S4 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0703","0.0495","","","0.0817","0.0864","","","","","","1.04","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500627","5.8927","0.0002","17.3398","0.0005","13.7513","0.0004","90","","95.424","0.002","90","","1398.79","0.07","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H21 N O6 S -","- C11 H21 N O6 S -","- C44 H84 N4 O24 S4 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0713","0.0541","","","0.1033","0.1131","","","","","","1.088","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500628","19.9658","0.0005","13.5075","0.0004","5.7764","0.0002","90","","90","","90","","1557.83","0.08","123","2","123","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H21 N O5 -","- C15 H21 N O5 -","- C60 H84 N4 O20 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0581","0.0421","","","0.0864","0.0886","","","","","","0.912","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500629","10.6674","0.0007","24.5551","0.0018","5.9212","0.0003","90","","100.111","0.006","90","","1526.91","0.17","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N O5 -","- C15 H21 N O5 -","- C60 H84 N4 O20 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","1.5418","CuKα","","0.0715","0.0421","","","0.0984","0.1062","","","","","","0.897","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500630","7.8391","0.0005","9.6967","0.0005","11.2005","0.0007","103.35","0.005","100.24","0.005","111.083","0.005","740.34","0.09","123","2","123","2","","","","","","","","4","P 1","P 1","1","","","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C28 H42 N2 O10 -","2","2","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0693","0.0512","","","0.1126","0.1176","","","","","","0.955","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500631","10.1926","0.0012","5.7077","0.0012","13.2031","0.0015","71.63","0.01","80.82","0.009","81.111","0.009","715.2","0.2","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H21 N O5 -","- C14 H21 N O5 -","- C28 H42 N2 O10 -","2","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","1.5418","CuKα","","0.0597","0.0506","","","0.1421","0.1494","","","","","","1.076","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500632","7.2851","0.0001","9.6672","0.0002","17.2535","0.0003","90","","90","","90","","1215.1","0.04","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 Br N O -","- C11 H18 Br N O -","- C44 H72 Br4 N4 O4 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0186","0.0161","","","0.0345","0.0347","","","","","","1.023","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500633","5.73759","0.00016","30.5983","0.0011","6.9823","0.0002","90","","106.92","0.003","90","","1172.75","0.07","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 Br N O -","- C11 H18 Br N O -","- C44 H72 Br4 N4 O4 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0563","0.0484","","","0.0864","0.0876","","","","","","1.396","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500634","7.1557","0.0002","9.5708","0.0002","16.8627","0.0004","90","","90","","90","","1154.86","0.05","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 Cl N O -","- C11 H18 Cl N O -","- C44 H72 Cl4 N4 O4 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0314","0.0267","","","0.0589","0.0598","","","","","","0.984","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500635","33.6032","0.0013","6.9855","0.0002","9.9089","0.0003","90","","95.085","0.002","90","","2316.81","0.13","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 Cl N O -","- C11 H18 Cl N O -","- C88 H144 Cl8 N8 O8 -","8","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0558","0.04","","","0.0874","0.0933","","","","","","1.064","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500636","6.6465","0.0002","11.9973","0.0005","23.0394","0.001","90","","90","","90","","1837.16","0.12","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 Cl N O4 -","- C18 H24 Cl N O4 -","- C72 H96 Cl4 N4 O16 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0553","0.0346","","","0.0562","0.0592","","","","","","0.865","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500637","24.7872","0.0012","5.8486","0.0002","23.7079","0.0011","90","","97.92","0.004","90","","3404.2","0.3","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Cl N O3 -","- C18 H22 Cl N O3 -","- C144 H176 Cl8 N8 O24 -","8","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0768","0.0403","","","0.0862","0.0949","","","","","","0.936","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500638","8.628","0.0002","10.9921","0.0002","18.7914","0.0004","90","","90","","90","","1782.17","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C72 H100 N4 O16 -","4","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0396","0.0309","","","0.0582","0.0595","","","","","","0.916","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500639","13.9277","0.0003","11.22","0.0003","20.7001","0.0007","90","","90","","90","","3234.78","0.16","123","2","123","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C144 H184 N8 O24 -","8","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0546","0.0325","","","0.0692","0.0734","","","","","","0.924","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500640","7.6416","0.0002","25.5067","0.0005","7.8781","0.0002","90","","104.173","0.003","90","","1488.8","0.06","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H18 I2 N O -","- C11 H18 I2 N O -","- C44 H72 I8 N4 O4 -","4","2","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0573","0.0462","","","0.0648","0.0668","","","","","","1.136","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4500641","7.6216","0.0004","7.6754","0.0004","11.0946","0.0005","83.537","0.004","84.005","0.005","70.642","0.005","606.88","0.06","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H18 I N O -","- C11 H18 I N O -","- C22 H36 I2 N2 O2 -","2","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0228","0.0189","","","0.0397","0.0403","","","","","","0.97","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500642","6.1399","0.0001","13.3725","0.0004","10.3002","0.0003","90","","98.217","0.002","90","","837.02","0.04","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H23 N O5 S -","- C17 H23 N O5 S -","- C34 H46 N2 O10 S2 -","2","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.034","0.0316","","","0.0766","0.0783","","","","","","1.092","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500643","10.2179","0.0003","13.6409","0.0004","15.0037","0.0004","64.086","0.003","87.575","0.002","72.856","0.002","1788.26","0.1","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H24 N O5.5 S -","- C17 H24 N O5.5 S -","- C68 H96 N4 O22 S4 -","4","2","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0656","0.0367","","","0.0785","0.0842","","","","","","0.94","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500644","12.8247","0.0005","7.7239","0.0003","18.065","0.0008","90","","104.569","0.004","90","","1731.92","0.13","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O4 -","- C18 H23 N O4 -","- C72 H92 N4 O16 -","4","2","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.075","0.0439","","","0.0725","0.0775","","","","","","0.878","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500645","5.9915","0.0001","14.2038","0.0003","9.9003","0.0002","90","","96.679","0.001","90","","836.82","0.03","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 Cl N O3 -","- C18 H22 Cl N O3 -","- C36 H44 Cl2 N2 O6 -","2","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.0441","0.0408","","","0.1012","0.1033","","","","","","1.188","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500646","6.0437","0.0002","14.1258","0.0003","9.9363","0.0003","90","","98.017","0.003","90","","839.99","0.04","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C38 H50 N2 O6 -","2","1","","Kennedy, Alan R.; Morrison, Catriona A.; Briggs, Naomi E. B.; Arbuckle, William","Density and Stability Differences Between Enantiopure and Racemic Salts: Construction and Structural Analysis of a Systematic Series of Crystalline Salt Forms of Methylephedrine","Crystal Growth & Design","2011","11","5","1821","","10.1021/cg200030s","","","0.71073","MoKα","","0.043","0.034","","","0.0663","0.0682","","","","","","0.949","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500647","6.0187","0.0003","5.3451","0.0003","9.9651","0.0004","90","","92.604","0.002","90","","320.25","0.03","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,5-dichloro 1,4-benzoquinone","","","- C6 H2 Cl2 O2 -","- C6 H2 Cl2 O2 -","- C12 H4 Cl4 O4 -","2","0.5","","Hathwar, Venkatesha R.; Gonnade, Rajesh G.; Munshi, Parthapratim; Bhadbhade, Mohan M.; Guru Row, Tayur N.","Halogen Bonding in 2,5-Dichloro-1,4-benzoquinone: Insights from Experimental and Theoretical Charge Density Analysis","Crystal Growth & Design","2011","11","5","1855","","10.1021/cg2000415","","x-ray","0.71073","MoKα","","0.0157","0.0116","","","","0.016","","","","","","1.003","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500648","27.422","0.003","27.422","0.003","38.087","0.008","90","","90","","120","","24803","6","113.15","","113.15","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C30 H14 Co3 N4 O17 -","- C30 H14 Co3 N4 O17 -","- C540 H252 Co54 N72 O306 -","18","0.5","","Chang, Ze; Zhang, Da-Shuai; Hu, Tong-Liang; Bu, Xian-He","Microporous Metal‒Organic Framework Based on Supermolecular Building Blocks (SBBs): Structure Analysis and Selective Gas Adsorption Properties","Crystal Growth & Design","2011","11","6","2050","","10.1021/cg200043a","","","0.71073","MoKα","","0.0848","0.0677","","","0.1793","0.1938","","","","","","1.081","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500649","7.4045","0.0001","7.4045","0.0001","12.2053","0.0002","90","","90","","120","","579.523","0.015","293","2","293","2","","","","","","","","4","P 63","P 6c","173","","","","- Cs2 Mo3 O12 Te -","- Cs2 Mo3 O12 Te -","- Cs4 Mo6 O24 Te2 -","2","0.333333","","Zhang, Junjie; Tao, Xutang; Sun, Youxuan; Zhang, Zhonghan; Zhang, Chengqian; Gao, Zeliang; Xia, Haibing; Xia, Shengqing","Top-Seeded Solution Growth, Morphology, and Properties of a Polar Crystal Cs2TeMo3O12","Crystal Growth & Design","2011","11","5","1863","","10.1021/cg200050g","","","0.71073","MoKα","","0.0139","0.0138","","","0.0318","0.0318","","","","","","1.2","","","","has coordinates","202022","2020-10-21","18:00:00",""
"4500650","5.7335","0.0011","10.5","0.002","19.088","0.004","98.09","0.03","93.79","0.03","91.46","0.03","1134.5","0.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Eu(OTf)3 3CH3CN","Europium(III)triflate acetonitrile solvate","","- C9 H9 Eu F9 N3 O9 S3 -","- C9 H9 Eu F9 N3 O9 S3 -","- C18 H18 Eu2 F18 N6 O18 S6 -","2","1","","Tang, Sifu; Mudring, Anja-Verena","Ionic Liquids as Crystallization Media: Weakly-Coordinating Anions Do Coordinate in1∞[Eu(OTf)3(CH3CN)3]","Crystal Growth & Design","2011","11","5","1437","","10.1021/cg200064n","","","0.71073","MoKα","","0.0411","0.0332","","","0.0756","0.0783","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500651","6.709","0.002","11.932","0.005","12.869","0.004","107.062","0.013","95.121","0.012","100.054","0.014","958.9","0.6","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H26 Cu3 N12 O18 -","- C40 H26 Cu3 N12 O18 -","- C40 H26 Cu3 N12 O18 -","1","0.5","","Chen, Min; Chen, Shui-Sheng; Okamura, Taka-aki; Su, Zhi; Chen, Man-Sheng; Zhao, Yue; Sun, Wei-Yin; Ueyama, Norikazu","pH Dependent Structural Diversity of Metal Complexes with 5-(4H-1,2,4-Triazol-4-yl)benzene-1,3-dicarboxylic Acid","Crystal Growth & Design","2011","11","5","1901","","10.1021/cg200068v","","","0.71075","MoKα","","0.0325","0.0297","","","0.0747","0.0759","","","","","","1.113","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500652","26.458","0.008","6.5936","0.0015","16.939","0.005","90","","118.205","0.012","90","","2604.2","1.3","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 Co N6 O15 -","- C20 H18 Co N6 O15 -","- C80 H72 Co4 N24 O60 -","4","0.5","","Chen, Min; Chen, Shui-Sheng; Okamura, Taka-aki; Su, Zhi; Chen, Man-Sheng; Zhao, Yue; Sun, Wei-Yin; Ueyama, Norikazu","pH Dependent Structural Diversity of Metal Complexes with 5-(4H-1,2,4-Triazol-4-yl)benzene-1,3-dicarboxylic Acid","Crystal Growth & Design","2011","11","5","1901","","10.1021/cg200068v","","","0.71075","MoKα","","0.0401","0.0368","","","0.0988","0.101","","","","","","1.12","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500653","26.495","0.004","6.6189","0.0011","16.996","0.003","90","","118.296","0.008","90","","2624.4","0.8","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H26 N6 Ni O15 -","- C20 H26 N6 Ni O15 -","- C80 H104 N24 Ni4 O60 -","4","0.5","","Chen, Min; Chen, Shui-Sheng; Okamura, Taka-aki; Su, Zhi; Chen, Man-Sheng; Zhao, Yue; Sun, Wei-Yin; Ueyama, Norikazu","pH Dependent Structural Diversity of Metal Complexes with 5-(4H-1,2,4-Triazol-4-yl)benzene-1,3-dicarboxylic Acid","Crystal Growth & Design","2011","11","5","1901","","10.1021/cg200068v","","","0.71075","MoKα","","0.0965","0.0625","","","0.1325","0.1476","","","","","","1.056","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500654","17.949","0.003","12.708","0.003","9.6065","0.0016","90","","112.333","0.004","90","","2026.8","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H12 Mn N6 O8 -","- C20 H12 Mn N6 O8 -","- C80 H48 Mn4 N24 O32 -","4","0.5","","Chen, Min; Chen, Shui-Sheng; Okamura, Taka-aki; Su, Zhi; Chen, Man-Sheng; Zhao, Yue; Sun, Wei-Yin; Ueyama, Norikazu","pH Dependent Structural Diversity of Metal Complexes with 5-(4H-1,2,4-Triazol-4-yl)benzene-1,3-dicarboxylic Acid","Crystal Growth & Design","2011","11","5","1901","","10.1021/cg200068v","","","0.71073","MoKα","","0.0379","0.0333","","","0.0823","0.0844","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500655","20.064","0.005","7.7666","0.0019","17.11","0.004","90","","122.82","0.004","90","","2240.6","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Cu2 N6 O13 -","- C20 H20 Cu2 N6 O13 -","- C80 H80 Cu8 N24 O52 -","4","0.5","","Chen, Min; Chen, Shui-Sheng; Okamura, Taka-aki; Su, Zhi; Chen, Man-Sheng; Zhao, Yue; Sun, Wei-Yin; Ueyama, Norikazu","pH Dependent Structural Diversity of Metal Complexes with 5-(4H-1,2,4-Triazol-4-yl)benzene-1,3-dicarboxylic Acid","Crystal Growth & Design","2011","11","5","1901","","10.1021/cg200068v","","","0.71073","MoKα","","0.0478","0.0373","","","0.0795","0.0825","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500656","20.555","0.003","7.4526","0.001","17.229","0.003","90","","123.504","0.005","90","","2200.8","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 Co2 N6 O13 -","- C20 H20 Co2 N6 O13 -","- C80 H80 Co8 N24 O52 -","4","0.5","","Chen, Min; Chen, Shui-Sheng; Okamura, Taka-aki; Su, Zhi; Chen, Man-Sheng; Zhao, Yue; Sun, Wei-Yin; Ueyama, Norikazu","pH Dependent Structural Diversity of Metal Complexes with 5-(4H-1,2,4-Triazol-4-yl)benzene-1,3-dicarboxylic Acid","Crystal Growth & Design","2011","11","5","1901","","10.1021/cg200068v","","","0.71073","MoKα","","0.038","0.0354","","","0.0996","0.1016","","","","","","1.067","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500657","20.625","0.004","7.3923","0.0015","17.25","0.003","90","","123.574","0.003","90","","2191.3","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 N6 Ni2 O13 -","- C20 H20 N6 Ni2 O13 -","- C80 H80 N24 Ni8 O52 -","4","0.5","","Chen, Min; Chen, Shui-Sheng; Okamura, Taka-aki; Su, Zhi; Chen, Man-Sheng; Zhao, Yue; Sun, Wei-Yin; Ueyama, Norikazu","pH Dependent Structural Diversity of Metal Complexes with 5-(4H-1,2,4-Triazol-4-yl)benzene-1,3-dicarboxylic Acid","Crystal Growth & Design","2011","11","5","1901","","10.1021/cg200068v","","","0.71073","MoKα","","0.0367","0.0339","","","0.106","0.1088","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500658","10.531","0.003","14.549","0.006","7.681","0.003","90","","90","","90","","1176.8","0.7","200","","200","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C10 H11 Mn N3 O7 -","- C10 H11 Mn N3 O7 -","- C40 H44 Mn4 N12 O28 -","4","0.5","","Chen, Min; Chen, Shui-Sheng; Okamura, Taka-aki; Su, Zhi; Chen, Man-Sheng; Zhao, Yue; Sun, Wei-Yin; Ueyama, Norikazu","pH Dependent Structural Diversity of Metal Complexes with 5-(4H-1,2,4-Triazol-4-yl)benzene-1,3-dicarboxylic Acid","Crystal Growth & Design","2011","11","5","1901","","10.1021/cg200068v","","","0.71075","MoKα","","0.0276","0.0258","","","0.07","0.071","","","","","","1.136","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500659","23.376","0.007","13.341","0.003","23.042","0.005","90","","105.768","0.009","90","","6915","3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","tris(2,6-dimethyl-4-hydroxyphenyl)benzene","1,3,5-tris(2,6-dimethyl-4-hydroxyphenyl)benzene","","- C81 H84 O6 -","- C81 H84 O6 -","- C324 H336 O24 -","4","0.5","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth","Trigonal Rigid Triphenols: Self-Assembly and Multicomponent Lattice Inclusion","Crystal Growth & Design","2011","11","8","3406","","10.1021/cg200074z","","","0.71073","MoKα","","0.1624","0.0852","","","0.1936","0.2261","","","","","","1.05","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500660","23.562","0.005","13.96","0.005","28.168","0.007","90","","113.151","0.008","90","","8519","4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","tris(2,6-dimethyl-4-hydroxyphenyl)benzene","1,3,5-tris(2,6-dimethyl-4-hydroxyphenyl)benzene","","- C88 H124 O23 -","- C88 H118 O23 -","- C352 H472 O92 -","4","0.5","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth","Trigonal Rigid Triphenols: Self-Assembly and Multicomponent Lattice Inclusion","Crystal Growth & Design","2011","11","8","3406","","10.1021/cg200074z","","","0.71073","MoKα","","0.1695","0.1033","","","0.2736","0.3162","","","","","","1.086","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500661","13.932","0.003","11.104","0.002","28.633","0.006","90","","100.752","0.004","90","","4351.8","1.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","tris(2,6-dimethyl-4-hydroxyphenyl)benzene","tris(2,6-dimethyl-4-hydroxyphenyl)benzene","","- C44 H63 N O12 -","- C44 H63 N O12 -","- C176 H252 N4 O48 -","4","1","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth","Trigonal Rigid Triphenols: Self-Assembly and Multicomponent Lattice Inclusion","Crystal Growth & Design","2011","11","8","3406","","10.1021/cg200074z","","","0.71073","MoKα","","0.1278","0.0656","","","0.1221","0.1398","","","","","","1.034","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500662","23.0586","0.0018","23.0586","0.0018","7.4775","0.0008","90","","90","","90","","3975.8","0.6","100","2","100","2","","","","","","","","3","I 4 c m","I 4 -2c","108","1,3,5-tris(4-hydroxyphenyl)mesitylene","1,3,5-tris(4-hydroxyphenyl)mesitylene","","- C27 H24 O3 -","- C28 H24 O3 -","- C224 H192 O24 -","8","0.5","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth","Trigonal Rigid Triphenols: Self-Assembly and Multicomponent Lattice Inclusion","Crystal Growth & Design","2011","11","8","3406","","10.1021/cg200074z","","","0.71073","MoKα","","0.0447","0.0401","","","0.0996","0.1027","","","","","","1.046","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500663","10.446","0.005","13.758","0.007","16.201","0.008","108.821","0.007","93.859","0.01","108.646","0.009","2050.1","1.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","1,3,5-tris(4-hydroxyphenyl)mesitylene","1,3,5-tris(4-hydroxyphenyl)mesitylene","","- C39 H52 O11 -","- C39 H48 O11 -","- C78 H96 O22 -","2","1","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth","Trigonal Rigid Triphenols: Self-Assembly and Multicomponent Lattice Inclusion","Crystal Growth & Design","2011","11","8","3406","","10.1021/cg200074z","","","0.71073","MoKα","","0.2135","0.1315","","","0.3219","0.3736","","","","","","1.092","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500664","21.037","0.003","21.037","0.003","53.66","0.011","90","","90","","120","","20566","6","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","tris(2,12-dimethyl-8-hydroxybiphenyl)benzene","1,3,5-tris(2,12-dimethyl-8-hydroxybiphenyl)benzene","","- C276 H375 N3 O72 -","- C276 H327 N3 O71.94 -","- C828 H981 N9 O215.82 -","3","0.166667","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth","Trigonal Rigid Triphenols: Self-Assembly and Multicomponent Lattice Inclusion","Crystal Growth & Design","2011","11","8","3406","","10.1021/cg200074z","","","0.71073","MoKα","","0.1981","0.118","","","0.3001","0.3498","","","","","","1.134","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500665","34.693","0.005","34.693","0.005","7.198","0.003","90","","90","","90","","8664","4","100","2","100","2","","","","","","","","3","I -4","I -4","82","1,3,5-tris(4-hydroxybiphenyl)mesitylene","1,3,5-tris(4-hydroxybiphenyl)mesitylene","","- C52 H44 O3 -","- C52 H44 O3 -","- C416 H352 O24 -","8","1","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth","Trigonal Rigid Triphenols: Self-Assembly and Multicomponent Lattice Inclusion","Crystal Growth & Design","2011","11","8","3406","","10.1021/cg200074z","","","0.71073","MoKα","","0.1527","0.0934","","","0.2188","0.2513","","","","","","1.062","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500666","9.393","0.001","22.498","0.001","37.809","0.009","90","","90","","90","","7990","2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","1,3,5-tris(4-hydroxybiphenyl)mesitylene","1,3,5-tris(4-hydroxybiphenyl)mesitylene","","- C85 H97 O12 -","- C85 H91 O12 -","- C340 H364 O48 -","4","1","","Moorthy, Jarugu Narasimha; Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth","Trigonal Rigid Triphenols: Self-Assembly and Multicomponent Lattice Inclusion","Crystal Growth & Design","2011","11","8","3406","","10.1021/cg200074z","","","0.71073","MoKα","","0.1927","0.1046","","","0.2318","0.2699","","","","","","1.061","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500667","13.371","0.003","33.458","0.008","36.582","0.009","90","","95.539","0.004","90","","16289","7","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- Co6 Cs3 Ge3 H90 K3 O159 W33 -","- Co6 Cs3 Ge3 K3 O159 W33 -","- Co24 Cs12 Ge12 K12 O636 W132 -","4","1","","Chen, Lijuan; Shi, Dongying; Zhao, Junwei; Wang, Yulong; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Three Transition-Metal Substituted Polyoxotungstates Containing Keggin Fragments: From Trimer to One-Dimensional Chain to Two-Dimensional Sheet","Crystal Growth & Design","2011","11","5","1913","","10.1021/cg200077r","","","0.71073","MoKα","","0.1012","0.075","","","0.1914","0.2043","","","","","","1.024","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500668","12.722","0.011","17.742","0.016","20.62","0.019","91.844","0.015","107.857","0.015","108.924","0.015","4146","6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- H72 K18 Mn9 O156 Si4 W34 -","- K6 Mn9 O156 Si4 W34 -","- K6 Mn9 O156 Si4 W34 -","1","0.5","","Chen, Lijuan; Shi, Dongying; Zhao, Junwei; Wang, Yulong; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Three Transition-Metal Substituted Polyoxotungstates Containing Keggin Fragments: From Trimer to One-Dimensional Chain to Two-Dimensional Sheet","Crystal Growth & Design","2011","11","5","1913","","10.1021/cg200077r","","","0.71073","MoKα","","0.2012","0.1062","","","0.2548","0.3116","","","","","","1.018","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500669","23.838","0.008","12.084","0.004","30.45","0.01","90","","96.985","0.005","90","","8706","5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- Cd6 H56 K8 O96 Si2 W18 -","- Cd6 K8 O96 Si2 W18 -","- Cd24 K32 O384 Si8 W72 -","4","0.5","","Chen, Lijuan; Shi, Dongying; Zhao, Junwei; Wang, Yulong; Ma, Pengtao; Wang, Jingping; Niu, Jingyang","Three Transition-Metal Substituted Polyoxotungstates Containing Keggin Fragments: From Trimer to One-Dimensional Chain to Two-Dimensional Sheet","Crystal Growth & Design","2011","11","5","1913","","10.1021/cg200077r","","","0.71073","MoKα","","0.0364","0.0325","","","0.0762","0.078","","","","","","1.029","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500670","8.181","0.003","8.421","0.003","10.25","0.004","98.774","0.006","95.521","0.006","114.52","0.006","624.9","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H20 Br2 N4 O6 S2 -","- C22 H20 Br2 N4 O6 S2 -","- C22 H20 Br2 N4 O6 S2 -","1","0.5","","Goud, N. Rajesh; Babu, N. Jagadeesh; Nangia, Ashwini","Sulfonamide−Pyridine-N-oxide Cocrystals","Crystal Growth & Design","2011","11","5","1930","","10.1021/cg200094x","","","0.71073","MoKα","","0.0329","0.0299","","","0.0747","0.0764","","","","","","1.11","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500671","7.8871","0.0005","7.8871","0.0005","51.1","0.007","90","","90","","90","","3178.7","0.5","100","2","100","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C16 H14 Cl N3 O4 S -","- C16 H14 Cl N3 O4 S -","- C128 H112 Cl8 N24 O32 S8 -","8","1","","Goud, N. Rajesh; Babu, N. Jagadeesh; Nangia, Ashwini","Sulfonamide−Pyridine-N-oxide Cocrystals","Crystal Growth & Design","2011","11","5","1930","","10.1021/cg200094x","","","0.71073","MoKα","","0.0325","0.0325","","","0.078","0.0781","","","","","","1.151","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500672","8.7426","0.0008","5.2061","0.0005","27.7269","0.0019","90","","102.935","0.002","90","","1229.96","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N4 O8 S2 -","- C24 H26 N4 O8 S2 -","- C48 H52 N8 O16 S4 -","2","0.5","","Goud, N. Rajesh; Babu, N. Jagadeesh; Nangia, Ashwini","Sulfonamide−Pyridine-N-oxide Cocrystals","Crystal Growth & Design","2011","11","5","1930","","10.1021/cg200094x","","","0.71073","MoKα","","0.0422","0.0397","","","0.1017","0.1036","","","","","","1.082","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500673","5.2214","0.0004","9.586","0.0008","20.154","0.0017","85.222","0.001","88.759","0.001","74.826","0.001","970.2","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 Cl N4 O7 S -","- C18 H17 Cl N4 O7 S -","- C36 H34 Cl2 N8 O14 S2 -","2","1","","Goud, N. Rajesh; Babu, N. Jagadeesh; Nangia, Ashwini","Sulfonamide−Pyridine-N-oxide Cocrystals","Crystal Growth & Design","2011","11","5","1930","","10.1021/cg200094x","","","0.71073","MoKα","","0.0336","0.0317","","","0.0834","0.0849","","","","","","1.038","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500674","10.317","0.0009","12.3913","0.001","20.0553","0.0017","90","","103.728","0.001","90","","2490.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N4 O6 S2 -","- C24 H26 N4 O6 S2 -","- C96 H104 N16 O24 S8 -","4","1","","Goud, N. Rajesh; Babu, N. Jagadeesh; Nangia, Ashwini","Sulfonamide−Pyridine-N-oxide Cocrystals","Crystal Growth & Design","2011","11","5","1930","","10.1021/cg200094x","","","0.71073","MoKα","","0.0362","0.0335","","","0.0878","0.09","","","","","","1.017","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500675","8.023","0.0006","8.3201","0.0006","17.5479","0.0012","77.734","0.001","77.52","0.001","81.286","0.001","1110.71","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H19 Cl N4 O7.5 S -","- C22 H19 Cl N4 O7.25 S -","- C44 H38 Cl2 N8 O14.5 S2 -","2","1","","Goud, N. Rajesh; Babu, N. Jagadeesh; Nangia, Ashwini","Sulfonamide−Pyridine-N-oxide Cocrystals","Crystal Growth & Design","2011","11","5","1930","","10.1021/cg200094x","","","0.71073","MoKα","","0.0406","0.0376","","","0.0953","0.0973","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500676","8.9954","0.0008","9.7521","0.0005","14.1574","0.001","74.025","0.006","75.373","0.007","80.65","0.006","1149.5","0.15","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H24 N6 -","- C28 H24 N6 -","- C56 H48 N12 -","2","1","","Liu, Hai-Yan; Wu, Hua; Yang, Jin; Liu, Ying-Ying; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","pH-Dependent Assembly of 1D to 3D Octamolybdate Hybrid Materials Based on a New Flexible Bis-[(pyridyl)-benzimidazole] Ligand","Crystal Growth & Design","2011","11","7","2920","","10.1021/cg200095c","","","0.71073","MoKα","","0.1395","0.0525","","","0.1139","0.1593","","","","","","0.809","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500677","9.6482","0.0004","9.8674","0.0004","14.1812","0.0007","96.766","0.004","102.504","0.004","116.635","0.004","1141.92","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Mo8 N6 O28 -","- C28 H32 Mo8 N6 O28 -","- C28 H32 Mo8 N6 O28 -","1","0.5","","Liu, Hai-Yan; Wu, Hua; Yang, Jin; Liu, Ying-Ying; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","pH-Dependent Assembly of 1D to 3D Octamolybdate Hybrid Materials Based on a New Flexible Bis-[(pyridyl)-benzimidazole] Ligand","Crystal Growth & Design","2011","11","7","2920","","10.1021/cg200095c","","","0.71073","MoKα","","0.0513","0.0279","","","0.0581","0.0788","","","","","","0.921","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500678","10.398","0.005","35.826","0.005","13.418","0.005","90","0.005","108.416","0.005","90","0.005","4742","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 Cu Mo8 N6 O31 -","- C28 H36 Cu Mo8 N6 O31 -","- C112 H144 Cu4 Mo32 N24 O124 -","4","0.5","","Liu, Hai-Yan; Wu, Hua; Yang, Jin; Liu, Ying-Ying; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","pH-Dependent Assembly of 1D to 3D Octamolybdate Hybrid Materials Based on a New Flexible Bis-[(pyridyl)-benzimidazole] Ligand","Crystal Growth & Design","2011","11","7","2920","","10.1021/cg200095c","","","0.71073","MoKα","","0.0479","0.0273","","","0.0614","0.0657","","","","","","0.953","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500679","7.914","0.005","10.423","0.005","13.808","0.005","91.308","0.005","96.509","0.005","100.792","0.005","1110.5","1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H32 Cu Mo8 N6 O29 -","- C28 H30 Cu Mo8 N6 O29 -","- C28 H30 Cu Mo8 N6 O29 -","1","0.5","","Liu, Hai-Yan; Wu, Hua; Yang, Jin; Liu, Ying-Ying; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","pH-Dependent Assembly of 1D to 3D Octamolybdate Hybrid Materials Based on a New Flexible Bis-[(pyridyl)-benzimidazole] Ligand","Crystal Growth & Design","2011","11","7","2920","","10.1021/cg200095c","","","0.71073","MoKα","","0.037","0.028","","","0.0677","0.0699","","","","","","0.965","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500680","10.9471","0.0003","11.5905","0.0004","14.5109","0.0005","104.956","0.003","95.054","0.002","110.967","0.003","1627.46","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H50 Cu Mo8 N12 O26 -","- C56 H50 Cu Mo8 N12 O26 -","- C56 H50 Cu Mo8 N12 O26 -","1","0.5","","Liu, Hai-Yan; Wu, Hua; Yang, Jin; Liu, Ying-Ying; Liu, Bo; Liu, Yun-Yu; Ma, Jian-Fang","pH-Dependent Assembly of 1D to 3D Octamolybdate Hybrid Materials Based on a New Flexible Bis-[(pyridyl)-benzimidazole] Ligand","Crystal Growth & Design","2011","11","7","2920","","10.1021/cg200095c","","","0.71073","MoKα","","0.0942","0.0429","","","0.0929","0.1082","","","","","","0.903","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500681","12.6602","0.0009","12.6602","0.0009","28.733","0.004","90","","90","","120","","3988.3","0.7","291","2","291","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C52 H70 N O9 -","- C52 H70 N O9 -","- C156 H210 N3 O27 -","3","0.5","","Guan, Yang-Fan; Li, Zheng-Yi; Ni, Meng-Fei; Lin, Chen; Jiang, Juli; Li, Yi-Zhi; Wang, Leyong","Chiral Moieties-Oriented Single-Stranded Helical Assembly of Calix[4]azacrown Derivatives","Crystal Growth & Design","2011","11","7","2684","","10.1021/cg2000975","","","0.71073","MoKα","","0.077","0.0606","","","0.1363","0.1403","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500682","12.6547","0.0012","12.6547","0.0012","28.776","0.005","90","","90","","120","","3990.8","0.9","291","2","291","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C52 H70 N O9 -","- C52 H70 N O9 -","- C156 H210 N3 O27 -","3","0.5","","Guan, Yang-Fan; Li, Zheng-Yi; Ni, Meng-Fei; Lin, Chen; Jiang, Juli; Li, Yi-Zhi; Wang, Leyong","Chiral Moieties-Oriented Single-Stranded Helical Assembly of Calix[4]azacrown Derivatives","Crystal Growth & Design","2011","11","7","2684","","10.1021/cg2000975","","","0.71073","MoKα","","0.0694","0.0512","","","0.0962","0.0999","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500683","11.9708","0.0013","34.928","0.003","12.444","0.002","90","","110.505","0.001","90","","4873.4","1","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C108 H146 N2 O16 -","- C108 H146 N2 O16 -","- C216 H292 N4 O32 -","2","1","","Guan, Yang-Fan; Li, Zheng-Yi; Ni, Meng-Fei; Lin, Chen; Jiang, Juli; Li, Yi-Zhi; Wang, Leyong","Chiral Moieties-Oriented Single-Stranded Helical Assembly of Calix[4]azacrown Derivatives","Crystal Growth & Design","2011","11","7","2684","","10.1021/cg2000975","","","","","","0.079","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500684","7.1113","0.0003","13.3625","0.0005","13.6784","0.0005","102.423","0.002","104.864","0.002","101.286","0.002","1182.74","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","potassium uranyl phthalate","","","- C16 H8 K O17 U3 -","- C16 H8 K O17 U3 -","- C32 H16 K2 O34 U6 -","2","1","","Mihalcea, Ionut; Henry, Natacha; Loiseau, Thierry","Revisiting the Uranyl-phthalate System: Isolation and Crystal Structures of Two Types of Uranyl−Organic Frameworks (UOF)","Crystal Growth & Design","2011","11","5","1940","","10.1021/cg200106j","","","0.71073","MoKα","","0.061","0.0443","","","0.1227","0.1352","","","","","","1.146","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500685","7.2962","0.0003","13.3376","0.0004","13.685","0.0004","102.294","0.002","105.175","0.002","101.557","0.002","1208.64","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H8 N O17 U3 -","- C16 H8 N O17 U3 -","- C32 H16 N2 O34 U6 -","2","1","","Mihalcea, Ionut; Henry, Natacha; Loiseau, Thierry","Revisiting the Uranyl-phthalate System: Isolation and Crystal Structures of Two Types of Uranyl−Organic Frameworks (UOF)","Crystal Growth & Design","2011","11","5","1940","","10.1021/cg200106j","","","0.71073","MoKα","","0.0395","0.0256","","","0.0588","0.0731","","","","","","1.135","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500686","30.5385","0.0007","30.5385","0.0007","5.8489","0.0002","90","","90","","120","","4723.9","0.2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C12 H9 O11 U1.5 -","- C12 H9 O11 U1.5 -","- C144 H108 O132 U18 -","12","0.666667","","Mihalcea, Ionut; Henry, Natacha; Loiseau, Thierry","Revisiting the Uranyl-phthalate System: Isolation and Crystal Structures of Two Types of Uranyl−Organic Frameworks (UOF)","Crystal Growth & Design","2011","11","5","1940","","10.1021/cg200106j","","","0.71073","MoKα","","0.0355","0.0221","","","0.0629","0.0674","","","","","","1.31","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500687","30.181","0.006","9.0918","0.0018","17.92","0.004","90","","125.66","0.03","90","","3995","2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H28 Ag N2 O8 -","- C15 H28 Ag N2 O8 -","- C120 H224 Ag8 N16 O64 -","8","1","","Luo, Geng-Geng; Xiong, Hong-Bo; Sun, Di; Wu, Dong-Liang; Huang, Rong-Bin; Dai, Jing-Cao","A Discrete Spirocyclic (H2O)9Cluster and 1D Novel Water Chain with Tetrameric and Octameric Clusters in Cationic Hosts","Crystal Growth & Design","2011","11","5","1948","","10.1021/cg200111j","","","0.71073","MoKα","","0.0446","0.0362","","","0.1236","0.1411","","","","","","1.087","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500688","13.6","0.003","15.107","0.003","33","0.007","90","","90","","90","","6780","2","173","2","173","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C28 H46 Ag2 N4 O13 -","- C28 H46 Ag2 N4 O13 -","- C224 H368 Ag16 N32 O104 -","8","0.25","","Luo, Geng-Geng; Xiong, Hong-Bo; Sun, Di; Wu, Dong-Liang; Huang, Rong-Bin; Dai, Jing-Cao","A Discrete Spirocyclic (H2O)9Cluster and 1D Novel Water Chain with Tetrameric and Octameric Clusters in Cationic Hosts","Crystal Growth & Design","2011","11","5","1948","","10.1021/cg200111j","","","0.71073","MoKα","","0.0221","0.0207","","","0.0532","0.054","","","","","","1.066","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500689","21.693","0.004","18.321","0.003","22.792","0.004","90","","117.959","0.002","90","","8001","2","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H50 Co3 N12 O28 -","- C72 H46 Co3 N12 O28 -","- C288 H184 Co12 N48 O112 -","4","0.5","","Zhang, Jian-Yong; Jing, Xue-Hui; Ma, Yu; Cheng, Ai-Ling; Gao, En-Qing","Interpenetration, Self-Catenation, and New Topology in Metal‒Organic Frameworks of Cobalt with Mixed Organic Linkers","Crystal Growth & Design","2011","11","9","3681","","10.1021/cg200120p","","","0.71073","MoKα","","0.092","0.0585","","","0.1534","0.1794","","","","","","0.99","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500690","13.725","0.004","15.197","0.005","20.131","0.009","96.855","0.006","100.123","0.006","113.155","0.004","3717","2","298","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H55 Co3 N11 O27.5 -","- C72 H52 Co3 N11 O27.5 -","- C144 H104 Co6 N22 O55 -","2","1","","Zhang, Jian-Yong; Jing, Xue-Hui; Ma, Yu; Cheng, Ai-Ling; Gao, En-Qing","Interpenetration, Self-Catenation, and New Topology in Metal‒Organic Frameworks of Cobalt with Mixed Organic Linkers","Crystal Growth & Design","2011","11","9","3681","","10.1021/cg200120p","","","0.71073","MoKα","","0.154","0.0941","","","0.1965","0.2286","","","","","","1.058","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4500691","12.923","0.008","19.427","0.013","21.115","0.014","95.816","0.011","93.135","0.011","96.147","0.012","5232","6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H80 Ce Cu3.5 N18 O80 P2 W22 -","- C26 H76 Ce Cu3.5 N18 O80 P2 W22 -","- C52 H152 Ce2 Cu7 N36 O160 P4 W44 -","2","1","","Niu, Jingyang; Zhang, Shaowei; Chen, Huanni; Zhao, Junwei; Ma, Pengtao; Wang, Jingping","1-D, 2-D, and 3-D Organic‒Inorganic Hybrids Assembled from Keggin-type Polyoxometalates and 3d-4f Heterometals","Crystal Growth & Design","2011","11","9","3769","","10.1021/cg2001249","","","0.71073","MoKα","","0.1637","0.073","","","0.1371","0.1545","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500692","13.0173","0.0006","19.3803","0.0009","21.5028","0.0009","96.007","0.001","95.311","0.001","95.713","0.001","5339","0.4","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C26 H93 Cu3.5 N18 O86.5 P2 Pr W22 -","- C26 H72 Cu3.5 N18 O86.5 P2 Pr W22 -","- C52 H144 Cu7 N36 O173 P4 Pr2 W44 -","2","1","","Niu, Jingyang; Zhang, Shaowei; Chen, Huanni; Zhao, Junwei; Ma, Pengtao; Wang, Jingping","1-D, 2-D, and 3-D Organic‒Inorganic Hybrids Assembled from Keggin-type Polyoxometalates and 3d-4f Heterometals","Crystal Growth & Design","2011","11","9","3769","","10.1021/cg2001249","","","0.71073","MoKα","","0.0669","0.044","","","0.0866","0.0932","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500693","13.7083","0.0016","19.323","0.002","25.369","0.003","105.421","0.002","104.048","0.002","99.871","0.002","6080.9","1.2","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H101 Cu5 Gd N20 O88 P2 W22 -","- C36 H80 Cu5 Gd N20 O88 P2 W22 -","- C72 H160 Cu10 Gd2 N40 O176 P4 W44 -","2","1","","Niu, Jingyang; Zhang, Shaowei; Chen, Huanni; Zhao, Junwei; Ma, Pengtao; Wang, Jingping","1-D, 2-D, and 3-D Organic‒Inorganic Hybrids Assembled from Keggin-type Polyoxometalates and 3d-4f Heterometals","Crystal Growth & Design","2011","11","9","3769","","10.1021/cg2001249","","","0.71073","MoKα","","0.0769","0.0641","","","0.1592","0.1669","","","","","","1.015","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500694","13.702","0.0008","19.324","0.001","25.3506","0.0014","105.382","0.001","104.017","0.001","99.958","0.001","6074","0.6","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H102 Cu5 N20 O88.5 P2 Tb W22 -","- C36 H80 Cu5 N20 O88.5 P2 Tb W22 -","- C72 H160 Cu10 N40 O177 P4 Tb2 W44 -","2","1","","Niu, Jingyang; Zhang, Shaowei; Chen, Huanni; Zhao, Junwei; Ma, Pengtao; Wang, Jingping","1-D, 2-D, and 3-D Organic‒Inorganic Hybrids Assembled from Keggin-type Polyoxometalates and 3d-4f Heterometals","Crystal Growth & Design","2011","11","9","3769","","10.1021/cg2001249","","","0.71073","MoKα","","0.0692","0.0443","","","0.0831","0.0913","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500695","13.7089","0.0013","19.2704","0.0018","25.333","0.002","105.13","0.002","104.191","0.001","99.847","0.002","6062.6","0.9","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C36 H102 Cu5 Er N20 O88.5 P2 W22 -","- C36 H80 Cu5 Er N20 O88.5 P2 W22 -","- C72 H160 Cu10 Er2 N40 O177 P4 W44 -","2","1","","Niu, Jingyang; Zhang, Shaowei; Chen, Huanni; Zhao, Junwei; Ma, Pengtao; Wang, Jingping","1-D, 2-D, and 3-D Organic‒Inorganic Hybrids Assembled from Keggin-type Polyoxometalates and 3d-4f Heterometals","Crystal Growth & Design","2011","11","9","3769","","10.1021/cg2001249","","","0.71073","MoKα","","0.0526","0.0381","","","0.0847","0.0894","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500696","15.563","0.012","19.967","0.016","20.922","0.016","116.419","0.015","91.769","0.015","94.845","0.016","5785","8","296","2","296","2","","","","","","","","9","P -1","-P 1","2","","","","- C20 H59 Cu3 N12 Na2 Nd O81 P2 W22 -","- C20 H48 Cu3 N12 Na2 Nd O81 P2 W22 -","- C40 H96 Cu6 N24 Na4 Nd2 O162 P4 W44 -","2","1","","Niu, Jingyang; Zhang, Shaowei; Chen, Huanni; Zhao, Junwei; Ma, Pengtao; Wang, Jingping","1-D, 2-D, and 3-D Organic‒Inorganic Hybrids Assembled from Keggin-type Polyoxometalates and 3d-4f Heterometals","Crystal Growth & Design","2011","11","9","3769","","10.1021/cg2001249","","","0.71073","MoKα","","0.1528","0.0842","","","0.1479","0.157","","","","","","1.003","","","","has coordinates,has disorder","179537","2020-10-21","18:00:00",""
"4500697","26.4013","0.0004","26.4013","0.0004","26.4013","0.0004","90","","90","","90","","18402.5","0.5","100","2","293","2","","","","","","","","6","I m -3","-I 2 2 3","204","","","","- C6 H6 Mn2 O47.3 P3 U6 -","- C6 H6 Mn2 O47.3 P3 U6 -","- C96 H96 Mn32 O756.8 P48 U96 -","16","0.333333","","Alsobrook, Andrea N.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Incorporation of Mn(II) and Fe(II) into Uranyl Carboxyphosphonates","Crystal Growth & Design","2011","11","6","2358","","10.1021/cg200127a","","","0.71073","MoKα","","0.0218","0.0185","","","0.04","0.0411","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500698","12.7708","0.0013","14.5298","0.0014","18.8587","0.0019","82.784","0.001","72.179","0.001","79.385","0.001","3265.5","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Mn4 O57.75 P6 U5 -","- C12 H12 Mn4 O57.92 P6 U5 -","- C24 H24 Mn8 O115.84 P12 U10 -","2","1","","Alsobrook, Andrea N.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Incorporation of Mn(II) and Fe(II) into Uranyl Carboxyphosphonates","Crystal Growth & Design","2011","11","6","2358","","10.1021/cg200127a","","","0.71073","MoKα","","0.0474","0.0389","","","0.1013","0.1065","","","","","","0.892","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500699","6.7914","0.0003","17.5941","0.0009","10.1757","0.0005","90","","98.607","0.001","90","","1202.19","0.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 Mn2 O26 P2 U3 -","- C4 H4 Mn2 O26 P2 U3 -","- C8 H8 Mn4 O52 P4 U6 -","2","0.5","","Alsobrook, Andrea N.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Incorporation of Mn(II) and Fe(II) into Uranyl Carboxyphosphonates","Crystal Growth & Design","2011","11","6","2358","","10.1021/cg200127a","","","0.71073","MoKα","","0.0213","0.0194","","","0.051","0.0517","","","","","","1.133","","","","has coordinates","179537","2020-10-21","18:00:00",""
"4500700","20.62","0.004","9.4956","0.0016","13.384","0.002","90","","104.987","0.002","90","","2531.4","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4 H4 Fe O28 P2 U2 -","- C4 H4 Fe O28 P2 U2 -","- C16 H16 Fe4 O112 P8 U8 -","4","0.5","","Alsobrook, Andrea N.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Incorporation of Mn(II) and Fe(II) into Uranyl Carboxyphosphonates","Crystal Growth & Design","2011","11","6","2358","","10.1021/cg200127a","","","0.71073","MoKα","","0.0259","0.0243","","","0.0684","0.0696","","","","","","1.104","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500701","7.0208","0.0003","8.2937","0.0003","11.0388","0.0005","80.96","0.001","74.05","0.001","89.85","0.001","609.79","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H4 Fe O26 P2 U2 -","- C4 H4 Fe O26 P2 U2 -","- C4 H4 Fe O26 P2 U2 -","1","0.5","","Alsobrook, Andrea N.; Alekseev, Evgeny V.; Depmeier, Wulf; Albrecht-Schmitt, Thomas E.","Incorporation of Mn(II) and Fe(II) into Uranyl Carboxyphosphonates","Crystal Growth & Design","2011","11","6","2358","","10.1021/cg200127a","","","0.71073","MoKα","","0.0198","0.0195","","","0.0495","0.0497","","","","","","1.057","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500702","11.237","0.0005","20.8524","0.0009","14.6189","0.0007","90","","104.997","0.001","90","","3308.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 F2 N2 O39 P8 U6 -","- C32 H40 F2 N2 O39 P8 U6 -","- C64 H80 F4 N4 O78 P16 U12 -","2","0.5","","Adelani, Pius O.; Oliver, Allen G.; Albrecht-Schmitt, Thomas E.","Hydrothermal Synthesis and Structural Characterization of Organically Templated Uranyl Diphosphonate Compounds","Crystal Growth & Design","2011","11","5","1966","","10.1021/cg200129g","","","0.71073","MoKα","","0.0359","0.026","","","0.0512","0.0548","","","","","","1.022","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500703","16.651","0.004","20.376","0.004","8.7419","0.0019","90","","90","","90","","2966","1.1","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C40 H56 N2 O30 P8 U2 -","- C40 H58 N2 O30 P8 U2 -","- C80 H116 N4 O60 P16 U4 -","2","0.25","","Adelani, Pius O.; Oliver, Allen G.; Albrecht-Schmitt, Thomas E.","Hydrothermal Synthesis and Structural Characterization of Organically Templated Uranyl Diphosphonate Compounds","Crystal Growth & Design","2011","11","5","1966","","10.1021/cg200129g","","","0.71073","MoKα","","0.0579","0.0391","","","0.0907","0.1004","","","","","","1.057","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500704","8.5409","0.0006","19.1605","0.0013","11.3037","0.0008","90","","110.327","0.001","90","","1734.6","0.2","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C18 H26 F N O19 P4 U3 -","- C17.67 H25.85 F N O19 P4 U3 -","- C35.34 H51.7 F2 N2 O38 P8 U6 -","2","0.5","","Adelani, Pius O.; Oliver, Allen G.; Albrecht-Schmitt, Thomas E.","Hydrothermal Synthesis and Structural Characterization of Organically Templated Uranyl Diphosphonate Compounds","Crystal Growth & Design","2011","11","5","1966","","10.1021/cg200129g","","","0.71073","MoKα","","0.023","0.0185","","","0.0404","0.0417","","","","","","1.054","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500705","12.8912","0.0006","13.1722","0.0005","17.114","0.0007","90","","96.0184","0.0014","90","","2890","0.2","173.1","","173.1","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H24 Cu F12 N4 O P2 -","- C23 H23 Cu F12 N4 O P2 -","- C92 H92 Cu4 F48 N16 O4 P8 -","4","1","","Noro, Shin-ichiro; Fukuhara, Katsuo; Kubo, Kazuya; Nakamura, Takayoshi","Rational Construction of Wide Coordination Space and Control of Adsorption Properties in One-Dimensional Cu(II) Coordination Polymer","Crystal Growth & Design","2011","11","6","2379","","10.1021/cg2001392","","","0.71075","MoKα","","","0.0442","","","","0.0587","","","","","","1.209","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500706","13.135","0.003","13.453","0.004","13.51","0.004","110.197","0.004","92.133","0.003","93.261","0.004","2232.7","1.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H46 N8 O9 Zn2 -","- C48 H46 N8 O9 Zn2 -","- C96 H92 N16 O18 Zn4 -","2","1","","Jia, Weiwei; Luo, Junhua; Zhu, Miaoli","A Molecular Basketwork: Self-Assembly of Coordination Polymers from Zn(II) and Biphenyl-3,4′-dicarboxylate Regulated by Different Flexible Bridging and Chelating N-Donor Ancillary Ligands","Crystal Growth & Design","2011","11","6","2386","","10.1021/cg200142f","","","0.71073","MoKα","","0.0454","0.0385","","","0.1125","0.1266","","","","","","1.207","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500707","16.08","0.006","15.054","0.006","19.34","0.007","90","","90","","90","","4682","3","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H20 N2 O6 Zn -","- C26 H20 N2 O6 Zn -","- C208 H160 N16 O48 Zn8 -","8","1","","Jia, Weiwei; Luo, Junhua; Zhu, Miaoli","A Molecular Basketwork: Self-Assembly of Coordination Polymers from Zn(II) and Biphenyl-3,4′-dicarboxylate Regulated by Different Flexible Bridging and Chelating N-Donor Ancillary Ligands","Crystal Growth & Design","2011","11","6","2386","","10.1021/cg200142f","","","0.71073","MoKα","","0.0972","0.0931","","","0.182","0.184","","","","","","1.388","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500708","16.176","0.012","14.453","0.011","19.137","0.015","90","","90","","90","","4474","6","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H20 N2 O6 Zn -","- C24 H20 N2 O6 Zn -","- C192 H160 N16 O48 Zn8 -","8","1","","Jia, Weiwei; Luo, Junhua; Zhu, Miaoli","A Molecular Basketwork: Self-Assembly of Coordination Polymers from Zn(II) and Biphenyl-3,4′-dicarboxylate Regulated by Different Flexible Bridging and Chelating N-Donor Ancillary Ligands","Crystal Growth & Design","2011","11","6","2386","","10.1021/cg200142f","","","0.71073","MoKα","","0.0859","0.0727","","","0.222","0.2363","","","","","","1.137","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500709","13.682","0.004","14.692","0.005","6.0405","0.0018","90","","97.086","0.005","90","","1205","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 O5 Zn -","- C14 H10 O5 Zn -","- C56 H40 O20 Zn4 -","4","1","","Jia, Weiwei; Luo, Junhua; Zhu, Miaoli","A Molecular Basketwork: Self-Assembly of Coordination Polymers from Zn(II) and Biphenyl-3,4′-dicarboxylate Regulated by Different Flexible Bridging and Chelating N-Donor Ancillary Ligands","Crystal Growth & Design","2011","11","6","2386","","10.1021/cg200142f","","","0.71073","MoKα","","0.0344","0.0289","","","0.0721","0.0756","","","","","","1.09","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500710","8.5027","0.0008","8.6975","0.0008","40.9499","0.0011","93.251","0.005","94.148","0.005","99.009","0.008","2976","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H53 I N2 -","- C27 H53 I N2 -","- C108 H212 I4 N8 -","4","2","","Wang, Xinjiao; Vogel, Carola S.; Heinemann, Frank W.; Wasserscheid, Peter; Meyer, Karsten","Solid-State Structures of Double-Long-Chain Imidazolium Ionic Liquids: Influence of Anion Shape on Cation Geometry and Crystal Packing","Crystal Growth & Design","2011","11","5","1974","","10.1021/cg200169u","","","0.71073","MoKα","","0.0319","0.0276","","","0.0671","0.0691","","","","","","1.093","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500711","45.831","0.003","9.6888","0.0006","7.355","0.0005","90","","99.224","0.005","90","","3223.7","0.4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H53 I3 N2 -","- C27 H53 I3 N2 -","- C108 H212 I12 N8 -","4","0.5","","Wang, Xinjiao; Vogel, Carola S.; Heinemann, Frank W.; Wasserscheid, Peter; Meyer, Karsten","Solid-State Structures of Double-Long-Chain Imidazolium Ionic Liquids: Influence of Anion Shape on Cation Geometry and Crystal Packing","Crystal Growth & Design","2011","11","5","1974","","10.1021/cg200169u","","","0.71073","MoKα","","0.0136","0.0122","","","0.031","0.0315","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500712","5.2631","0.0004","41.705","0.005","33.069","0.004","90","","92.528","0.009","90","","7251.5","1.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H53 I5 N2 -","- C27 H53 I5 N2 -","- C216 H424 I40 N16 -","8","2","","Wang, Xinjiao; Vogel, Carola S.; Heinemann, Frank W.; Wasserscheid, Peter; Meyer, Karsten","Solid-State Structures of Double-Long-Chain Imidazolium Ionic Liquids: Influence of Anion Shape on Cation Geometry and Crystal Packing","Crystal Growth & Design","2011","11","5","1974","","10.1021/cg200169u","","","0.71073","MoKα","","0.0868","0.04","","","0.091","0.1071","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500713","7.2671","0.0004","10.106","0.0007","20.7305","0.0007","101.009","0.003","98.259","0.006","91.545","0.006","1476.64","0.14","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H53 N5 -","- C29 H53 N5 -","- C58 H106 N10 -","2","1","","Wang, Xinjiao; Vogel, Carola S.; Heinemann, Frank W.; Wasserscheid, Peter; Meyer, Karsten","Solid-State Structures of Double-Long-Chain Imidazolium Ionic Liquids: Influence of Anion Shape on Cation Geometry and Crystal Packing","Crystal Growth & Design","2011","11","5","1974","","10.1021/cg200169u","","","0.71073","MoKα","","0.0636","0.0424","","","0.1026","0.1122","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500714","7.4686","0.0005","10.051","0.0007","21.4603","0.0014","77.423","0.001","87.537","0.002","88.558","0.001","1570.64","0.18","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H53 N5 -","- C31 H53 N5 -","- C62 H106 N10 -","2","1","","Wang, Xinjiao; Vogel, Carola S.; Heinemann, Frank W.; Wasserscheid, Peter; Meyer, Karsten","Solid-State Structures of Double-Long-Chain Imidazolium Ionic Liquids: Influence of Anion Shape on Cation Geometry and Crystal Packing","Crystal Growth & Design","2011","11","5","1974","","10.1021/cg200169u","","","0.71073","MoKα","","0.0503","0.0405","","","0.1138","0.1212","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500715","13.909","0.002","6.3867","0.0009","35.945","0.005","90","","100.628","0.003","90","","3138.3","0.8","150","2","150","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C27 H53 F6 N2 Sb -","- C27 H53 F6 N2 Sb -","- C108 H212 F24 N8 Sb4 -","4","1","","Wang, Xinjiao; Vogel, Carola S.; Heinemann, Frank W.; Wasserscheid, Peter; Meyer, Karsten","Solid-State Structures of Double-Long-Chain Imidazolium Ionic Liquids: Influence of Anion Shape on Cation Geometry and Crystal Packing","Crystal Growth & Design","2011","11","5","1974","","10.1021/cg200169u","","","0.71073","","","0.0466","0.0352","","","0.079","0.0836","","","","","","1.07","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4500716","8.8995","0.0005","11.0981","0.0007","18.0698","0.0011","95.577","0.001","92.752","0.001","108","0.001","1683.57","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H53 B N6 -","- C31 H53 B N6 -","- C62 H106 B2 N12 -","2","1","","Wang, Xinjiao; Vogel, Carola S.; Heinemann, Frank W.; Wasserscheid, Peter; Meyer, Karsten","Solid-State Structures of Double-Long-Chain Imidazolium Ionic Liquids: Influence of Anion Shape on Cation Geometry and Crystal Packing","Crystal Growth & Design","2011","11","5","1974","","10.1021/cg200169u","","","0.71073","MoKα","","0.0691","0.0429","","","0.1041","0.1184","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500717","5.8389","0.0003","8.3195","0.0005","16.9691","0.001","90","","90","","90","","824.3","0.08","100","2","100","2","","","","","","","Sigma Aldrich","3","P 21 21 21","P 2ac 2ab","19","L-3-phenyllactic acid","(S)-2-hydroxy-3-phenylpropionic acid","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","1","","Navare, Pranoti S.; MacDonald, John C.","Investigation of Stability and Structure in Three Homochiral and Heterochiral Crystalline Forms of 3-Phenyllactic Acid","Crystal Growth & Design","2011","11","6","2422","","10.1021/cg200171r","","x-ray","0.71073","MoKα","","0.0304","0.0288","","","0.0718","0.0729","","","","","","1.064","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500718","8.493","0.0006","8.5972","0.0007","11.529","0.0009","90","","109.203","0.002","90","","794.96","0.11","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","D/L-3-phenyllactic acid","(rac)-2-hydroxy-3-phenylpropionic acid","","- C9 H10 O3 -","- C9 H10 O3 -","- C36 H40 O12 -","4","1","","Navare, Pranoti S.; MacDonald, John C.","Investigation of Stability and Structure in Three Homochiral and Heterochiral Crystalline Forms of 3-Phenyllactic Acid","Crystal Growth & Design","2011","11","6","2422","","10.1021/cg200171r","","","0.71073","MoKα","","0.0386","0.0345","","","0.0882","0.0915","","","","","","1.047","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500719","23.941","0.005","18.794","0.004","19.897","0.004","90","","124.96","0.03","90","","7337","4","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H7 Cu N O7 -","- C16 H7 Cu N O7 -","- C192 H84 Cu12 N12 O84 -","12","1.5","","Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.","Consequences of Partial Flexibility in 1,3-Benzenedicarboxylate Linkers: Kagomé Lattice and NbO Supramolecular Isomers from Complexation of a Bulky 1,3-Benzenedicarboxylate to Cu(II) Paddlewheel Moieties","Crystal Growth & Design","2011","11","5","1441","","10.1021/cg200183x","","","0.40663","synchrotron","","0.1326","0.0767","","","0.1691","0.1849","","","","","","1.018","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500720","22.4425","0.0003","22.4425","0.0003","20.1201","0.0007","90","","90","","120","","8776.1","0.3","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C20 H16 Cu N2 O7 -","- C20 H16 Cu N2 O7 -","- C360 H288 Cu18 N36 O126 -","18","1","","Zhang, Zhenjie; Wojtas, Lukasz; Zaworotko, Michael J.","Consequences of Partial Flexibility in 1,3-Benzenedicarboxylate Linkers: Kagomé Lattice and NbO Supramolecular Isomers from Complexation of a Bulky 1,3-Benzenedicarboxylate to Cu(II) Paddlewheel Moieties","Crystal Growth & Design","2011","11","5","1441","","10.1021/cg200183x","","","1.54178","CuKα","","0.0777","0.0516","","","0.1329","0.146","","","","","","1.05","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500721","6.5119","0.0014","5.8624","0.0008","20.426","0.005","90","","93.904","0.008","90","","778","0.3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(Z,Z)-muconic isoprorylammonium","","- C12 H24 N2 O4 -","- C12 H24 N2 O4 -","- C24 H48 N4 O8 -","2","0.5","","Nishizawa, Natsuko; Nakamura, Junya; Matsumoto, Akikazu","Single-Crystal-to-Single-Crystal Transformation of Di(isopropylammonium) (Z,Z)-Muconate into the (E,E)-Muconate during One-Way Photoisomerization in the Solid State","Crystal Growth & Design","2011","11","8","3442","","10.1021/cg200184c","","","0.71075","MoKα","","0.0713","0.0531","","","0.1517","0.1641","","","","","","1.096","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500722","6.4631","0.0017","5.9109","0.0019","20.402","0.008","90","","97.1","0.03","90","","773.4","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","EE-iPrAm","","- C12 H24 N2 O4 -","- C12 H24 N2 O4 -","- C24 H48 N4 O8 -","2","0.5","","Nishizawa, Natsuko; Nakamura, Junya; Matsumoto, Akikazu","Single-Crystal-to-Single-Crystal Transformation of Di(isopropylammonium) (Z,Z)-Muconate into the (E,E)-Muconate during One-Way Photoisomerization in the Solid State","Crystal Growth & Design","2011","11","8","3442","","10.1021/cg200184c","","","0.71075","MoKα","","0.0633","0.0381","","","0.0897","0.0953","","","","","","0.926","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500723","6.5022","0.0014","5.8929","0.0016","20.534","0.006","90","","94.839","0.01","90","","784","0.4","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 N2 O4 -","- C12 H24.648 N2 O4 -","- C24 H49.296 N4 O8 -","2","0.5","","Nishizawa, Natsuko; Nakamura, Junya; Matsumoto, Akikazu","Single-Crystal-to-Single-Crystal Transformation of Di(isopropylammonium) (Z,Z)-Muconate into the (E,E)-Muconate during One-Way Photoisomerization in the Solid State","Crystal Growth & Design","2011","11","8","3442","","10.1021/cg200184c","","","0.71075","MoKα","","0.0942","0.0504","","","0.1187","0.1286","","","","","","0.915","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500724","9.906","0.003","16.193","0.004","17.823","0.006","90","","95.252","0.01","90","","2846.9","1.5","100","0.5","100","0.5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H33 N7 O9 S3 -","- C21 H33 N7 O9 S3 -","- C84 H132 N28 O36 S12 -","4","1","","Işiklan, Muhammet; Saeed, Musabbir A.; Pramanik, Avijit; Wong, Bryan M.; Fronczek, Frank R.; Hossain, Alamgir","A C Symmetric Nitrate Complex with a Thiophene-Based Tripodal Receptor.","Crystal growth & design","2011","11","4","959","963","10.1021/cg2001859","","","0.71073","MoKα","","0.0997","0.0618","","","0.1449","0.1665","","","","","","1.019","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500725","10.5433","0.0005","11.4203","0.0006","24.5107","0.0015","90","","90","","90","","2951.3","0.3","90","0.5","90","0.5","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 I3 N4 S3 -","- C21 H33 I3 N4 S3 -","- C84 H132 I12 N16 S12 -","4","1","","Işiklan, Muhammet; Saeed, Musabbir A.; Pramanik, Avijit; Wong, Bryan M.; Fronczek, Frank R.; Hossain, Alamgir","A C Symmetric Nitrate Complex with a Thiophene-Based Tripodal Receptor.","Crystal growth & design","2011","11","4","959","963","10.1021/cg2001859","","","0.71073","MoKα","","0.048","0.038","","","0.081","0.093","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4500726","4.8186","0.0013","14.63","0.004","10.239","0.003","90","","99.81","0.005","90","","711.3","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 O3 -","- C8 H8 O3 -","- C32 H32 O12 -","4","1","","Nath, Naba K.; Aggarwal, Himanshu; Nangia, Ashwini","Crystal Structure of Methyl Paraben Polymorph II","Crystal Growth & Design","2011","11","4","967","","10.1021/cg2001909","","","0.71073","MoKα","","0.0884","0.0801","","","0.1564","0.1602","","","","","","1.339","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500727","15.7406","0.0006","15.7406","0.0006","36.836","0.003","90","","90","","120","","7904","0.8","293","2","100","2","","","","","","","","6","P -6 2 c","P -6c -2c","190","","","","- C145 H139 Cl3 F6 O33 Sn6 -","- C145 H126 Cl3 F6 O33 Sn6 -","- C290 H252 Cl6 F12 O66 Sn12 -","2","0.166667","","Chandrasekhar, V.; Thilagar, P.; Steiner, A.","Guest-Assisted Self-assembly of Organostannoxane Nanotubules on a Mica Surface","Crystal Growth & Design","2011","11","5","1446","","10.1021/cg2001927","","","0.71073","MoKα","","0.0761","0.0691","","","0.1732","0.1787","","","","","","0.981","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500728","15.901","0.003","15.901","0.003","35.553","0.014","90","","90","","120","","7785","4","100","2","100","2","","","","","","","","6","P 63/m","-P 6c","176","","","","- C145 H137 Br6 Cl3 O35 Sn6 -","- C145 H138 Br6 Cl3 O34.98 Sn6 -","- C290 H276 Br12 Cl6 O69.96 Sn12 -","2","0.166667","","Chandrasekhar, V.; Thilagar, P.; Steiner, A.","Guest-Assisted Self-assembly of Organostannoxane Nanotubules on a Mica Surface","Crystal Growth & Design","2011","11","5","1446","","10.1021/cg2001927","","","0.71073","MoKα","","0.0692","0.0436","","","0.1046","0.1175","","","","","","1.013","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500729","11.6","0.001","13.569","0.0012","23.303","0.002","90","","90.567","0.002","90","","3667.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(m-hydroxybenzoic acid).bis(triphenylphosphine)","","- C43 H36 O5 P2 -","- C43 H36 O5 P2 -","- C172 H144 O20 P8 -","4","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Bernstein, Joel","An Investigation of the Hydrogen-Bond Preferences and Co-crystallization Behavior of Three Didonor Compounds.","Crystal Growth & Design","2011","11","5","2011","","10.1021/cg2002145","","","0.71073","MoKα","","0.1598","0.0483","","","0.1104","0.1579","","","","","","0.871","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500730","10.32","0.003","21.133","0.007","7.825","0.003","90","","102.105","0.006","90","","1668.6","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","((RS)-mandelic acid).(acridine)","","- C21 H17 N O3 -","- C21 H17 N O3 -","- C84 H68 N4 O12 -","4","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Bernstein, Joel","An Investigation of the Hydrogen-Bond Preferences and Co-crystallization Behavior of Three Didonor Compounds.","Crystal Growth & Design","2011","11","5","2011","","10.1021/cg2002145","","","0.71073","MoKα","","0.0926","0.0488","","","0.1267","0.1553","","","","","","1.095","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500731","30.962","0.004","7.3707","0.001","11.2227","0.0015","90","","107.777","0.006","90","","2438.9","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(4-hydroxybenzoic acid).(nicotinamide)","","- C13 H12 N2 O4 -","- C13 H12 N2 O4 -","- C104 H96 N16 O32 -","8","1","","Lemmerer, Andreas; Adsmond, Daniel A.; Bernstein, Joel","An Investigation of the Hydrogen-Bond Preferences and Co-crystallization Behavior of Three Didonor Compounds.","Crystal Growth & Design","2011","11","5","2011","","10.1021/cg2002145","","","0.71073","MoKα","","0.0621","0.0412","","","0.117","0.1307","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500732","10.3512","0.0016","16.252","0.0015","19.239","0.002","72.012","0.009","82.716","0.011","72.597","0.011","2935.3","0.7","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H158 F6 N24 Ni3 O25 -","- C102 H130 F6 N24 Ni3 O25 -","- C102 H130 F6 N24 Ni3 O25 -","1","0.5","","Meng, Xian-Rui; Zhong, Di-Chang; Jiang, Long; Li, Huan-Yong; Lu, Tong-Bu","Unprecedented Tuning of Structures and Gas Sorption Properties of Two 2D Nickel Metal−Organic Frameworks via Altering the Positions of Fluorine Atoms in Azamacrocyclic Ligands","Crystal Growth & Design","2011","11","5","2020","","10.1021/cg2002157","","","1.54178","CuKα","","0.1328","0.0893","","","0.2258","0.2553","","","","","","1.051","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500733","16.5659","0.0006","17.3791","0.0005","18.8432","0.0006","112.489","0.003","92.471","0.003","102.115","0.003","4854.8","0.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C93 H125 F6 N21 Ni3 O16 -","- C93 H125 F6 N21 Ni3 O16 -","- C186 H250 F12 N42 Ni6 O32 -","2","1","","Meng, Xian-Rui; Zhong, Di-Chang; Jiang, Long; Li, Huan-Yong; Lu, Tong-Bu","Unprecedented Tuning of Structures and Gas Sorption Properties of Two 2D Nickel Metal−Organic Frameworks via Altering the Positions of Fluorine Atoms in Azamacrocyclic Ligands","Crystal Growth & Design","2011","11","5","2020","","10.1021/cg2002157","","","1.54178","CuKα","","0.0496","0.0418","","","0.1181","0.1221","","","","","","1.052","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500734","18.64","0.0018","18.64","0.0018","18.64","0.0019","90","0.0017","90","0.0016","90","0.0016","6476.5","1.1","293","2","293","2","","","","","","","","5","P 41 3 2","P 4bd 2ab 3","213","","","","- C9 H3 Co2 N12 O6 -","- C9 H3 Co2 N12 O6 -","- C36 H12 Co8 N48 O24 -","4","0.166667","","Li, Mei-Na; Du, Dong-Ying; Yang, Guang-Sheng; Li, Shun-Li; Lan, Ya-Qian; Shao, Kui-Zhan; Qin, Jun-Sheng; Su, Zhong-Min","3D Chiral Microporous (10,3)-a Topology Metal‒Organic Framework Containing Large Helical Channels","Crystal Growth & Design","2011","11","6","2510","","10.1021/cg2002223","","","0.71069","MoKα","","0.0891","0.0417","","","0.0969","0.1112","","","","","","0.894","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4500735","23.482","0.003","16.7231","0.0018","7.7066","0.0008","90","","104.716","0.002","90","","2927","0.6","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H21 N O10 Zn2 -","- C32 H21 N O10 Zn2 -","- C128 H84 N4 O40 Zn8 -","4","0.5","","Qu, Ling-Ling; Zhu, You-Long; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Solvent-Induced Synthesis of Zinc(II) and Manganese(II) Coordination Polymers with a Semirigid Tetracarboxylic Acid","Crystal Growth & Design","2011","11","6","2444","","10.1021/cg200229h","","","0.71073","MoKα","","0.0757","0.0563","","","0.1421","0.1483","","","","","","1.096","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500736","9.3243","0.0009","26.939","0.003","14.4535","0.0014","90","","93.068","0.001","90","","3625.3","0.6","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H54 O29 Zn4 -","- C60 H54 O29 Zn4 -","- C120 H108 O58 Zn8 -","2","0.5","","Qu, Ling-Ling; Zhu, You-Long; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Solvent-Induced Synthesis of Zinc(II) and Manganese(II) Coordination Polymers with a Semirigid Tetracarboxylic Acid","Crystal Growth & Design","2011","11","6","2444","","10.1021/cg200229h","","","0.71073","MoKα","","0.0762","0.0451","","","0.0925","0.0987","","","","","","1.013","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500737","8.6801","0.0011","28.708","0.004","13.9279","0.0018","90","","90.91","0.002","90","","3470.2","0.8","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Mn2 O14 -","- C30 H26 Mn2 O14 -","- C120 H104 Mn8 O56 -","4","1","","Qu, Ling-Ling; Zhu, You-Long; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Solvent-Induced Synthesis of Zinc(II) and Manganese(II) Coordination Polymers with a Semirigid Tetracarboxylic Acid","Crystal Growth & Design","2011","11","6","2444","","10.1021/cg200229h","","","0.71073","MoKα","","0.0646","0.0491","","","0.1327","0.138","","","","","","1.077","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500738","10.4542","0.0008","13.814","0.001","13.9456","0.0011","77.074","0.001","78.232","0.001","76.91","0.001","1886.8","0.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H42 Mn N2 O14 -","- C38 H42 Mn N2 O14 -","- C76 H84 Mn2 N4 O28 -","2","1","","Qu, Ling-Ling; Zhu, You-Long; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","Solvent-Induced Synthesis of Zinc(II) and Manganese(II) Coordination Polymers with a Semirigid Tetracarboxylic Acid","Crystal Growth & Design","2011","11","6","2444","","10.1021/cg200229h","","","0.71073","MoKα","","0.0802","0.0613","","","0.1403","0.1456","","","","","","1.081","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500739","27.636","0.007","4.7444","0.0011","19.233","0.005","90","","122.929","0.002","90","","2116.6","0.9","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H28 N4 O9 -","- C18 H28 N4 O9 -","- C72 H112 N16 O36 -","4","0.5","","Kohmoto, Shigeo; Okuyama, Shinpei; Yokota, Nobuyuki,; Takahashi, Masahiro; Kishikawa, Keiki; Masu, Hyuma; Azumaya, Isao","Generation of Zwitterionic Water Channels: Biszwitterionic Imidazolium Carboxylates as Hydrogen-Bonding Acceptors","Crystal Growth & Design","2011","11","9","3698","","10.1021/cg200232b","","","0.71073","MoKα","","0.0572","0.0381","","","0.0813","0.0905","","","","","","1.028","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500740","4.7129","0.0013","10.011","0.003","12.908","0.004","69.426","0.003","87.476","0.003","81.127","0.003","563.3","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H24 N4 O8 -","- C22 H24 N4 O8 -","- C22 H24 N4 O8 -","1","0.5","","Kohmoto, Shigeo; Okuyama, Shinpei; Yokota, Nobuyuki,; Takahashi, Masahiro; Kishikawa, Keiki; Masu, Hyuma; Azumaya, Isao","Generation of Zwitterionic Water Channels: Biszwitterionic Imidazolium Carboxylates as Hydrogen-Bonding Acceptors","Crystal Growth & Design","2011","11","9","3698","","10.1021/cg200232b","","","0.71073","MoKα","","0.0767","0.056","","","0.1431","0.1571","","","","","","1.051","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500741","9.5978","0.0014","9.7222","0.0014","13.736","0.002","85.692","0.002","77.323","0.002","73.387","0.002","1198.2","0.3","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 N4 O9.5 -","- C22 H20 N4 O9.5 -","- C44 H40 N8 O19 -","2","1","","Kohmoto, Shigeo; Okuyama, Shinpei; Yokota, Nobuyuki,; Takahashi, Masahiro; Kishikawa, Keiki; Masu, Hyuma; Azumaya, Isao","Generation of Zwitterionic Water Channels: Biszwitterionic Imidazolium Carboxylates as Hydrogen-Bonding Acceptors","Crystal Growth & Design","2011","11","9","3698","","10.1021/cg200232b","","","0.71073","MoKα","","0.0894","0.0592","","","0.1602","0.1813","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500742","7.166","0.002","16.621","0.005","10.8","0.004","90","","107.616","0.004","90","","1226","0.7","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H22 N4 O8 -","- C24 H22 N4 O8 -","- C48 H44 N8 O16 -","2","1","","Kohmoto, Shigeo; Okuyama, Shinpei; Yokota, Nobuyuki,; Takahashi, Masahiro; Kishikawa, Keiki; Masu, Hyuma; Azumaya, Isao","Generation of Zwitterionic Water Channels: Biszwitterionic Imidazolium Carboxylates as Hydrogen-Bonding Acceptors","Crystal Growth & Design","2011","11","9","3698","","10.1021/cg200232b","","","0.71073","MoKα","","0.0848","0.0553","","","0.1353","0.1524","","","","","","0.993","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500743","13.7495","0.0019","13.7495","0.0019","25.533","0.005","90","","90","","90","","4827","1.3","298","2","298","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C60 H94 N12 Ni4 O25 -","- C60 H94 N12 Ni4 O25 -","- C120 H188 N24 Ni8 O50 -","2","0.25","","Guo, Jingjing; Li, Xinhua; Moorefield, Charles N.; Newkome, George R.","Novel Twofold Interpenetrating Channel Framework Based on Metal Tetramer Subunits","Crystal Growth & Design","2011","11","7","2695","","10.1021/cg200242n","","","0.71073","MoKα","","0.0979","0.0709","","","0.1696","0.1834","","","","","","1.027","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500744","13.7561","0.0003","13.7561","0.0003","25.5306","0.0012","90","","90","","90","","4831.2","0.3","298","2","298","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C60 H86 Cu4 N12 O21 -","- C60 H86 Cu4 N12 O21 -","- C120 H172 Cu8 N24 O42 -","2","0.25","","Guo, Jingjing; Li, Xinhua; Moorefield, Charles N.; Newkome, George R.","Novel Twofold Interpenetrating Channel Framework Based on Metal Tetramer Subunits","Crystal Growth & Design","2011","11","7","2695","","10.1021/cg200242n","","","0.71073","MoKα","","0.1297","0.1266","","","0.2867","0.2888","","","","","","1.271","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500745","13.7327","0.0015","13.7327","0.0015","25.466","0.006","90","","90","","90","","4802.6","1.4","298","2","298","2","","","","","","","","5","P -4 n 2","P -4 -2n","118","","","","- C60 H96 N12 Ni4 O26 -","- C60 H96 N12 Ni4 O26 -","- C120 H192 N24 Ni8 O52 -","2","0.25","","Guo, Jingjing; Li, Xinhua; Moorefield, Charles N.; Newkome, George R.","Novel Twofold Interpenetrating Channel Framework Based on Metal Tetramer Subunits","Crystal Growth & Design","2011","11","7","2695","","10.1021/cg200242n","","","0.71073","MoKα","","0.187","0.1533","","","0.3268","0.3551","","","","","","1.16","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500746","24.5078","0.0015","6.2205","0.0004","7.2839","0.0005","90","","90","","90","","1110.44","0.12","569","2","569","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C48 H56 N8 O8 -","4","1","","Amharar, Youness; Petit, Samuel; Sanselme, Morgane; Cartigny, Yohann; Petit, Marie-Noëlle; Coquerel, Gérard","Crystal Structures, Dehydration Mechanism, and Chiral Discrimination in the Solid State of a Hydantoin Derivative","Crystal Growth & Design","2011","11","6","2453","","10.1021/cg200243y","","x-ray","0.71073","MoKα","","0.0324","0.032","","","0.0885","0.0889","","","","","","1.065","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500747","15.774","0.01","6.181","0.004","16.277","0.008","90","","126.02","0.04","90","","1283.6","1.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N2 O3 -","- C12 H16 N2 O3 -","- C48 H64 N8 O12 -","4","1","","Amharar, Youness; Petit, Samuel; Sanselme, Morgane; Cartigny, Yohann; Petit, Marie-Noëlle; Coquerel, Gérard","Crystal Structures, Dehydration Mechanism, and Chiral Discrimination in the Solid State of a Hydantoin Derivative","Crystal Growth & Design","2011","11","6","2453","","10.1021/cg200243y","","","0.71073","MoKα","","0.0878","0.0556","","","0.1534","0.1827","","","","","","1.051","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500748","11.2492","0.0002","11.3536","0.0003","13.3378","0.0008","65.508","0.003","81.846","0.006","60.791","0.002","1349.16","0.1","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H30 Ag4 N10 O32 W10 -","- C20 H30 Ag4 N10 O32 W10 -","- C20 H30 Ag4 N10 O32 W10 -","1","0.5","","McGlone, Thomas; Streb, Carsten; Busquets-Fité, Martí; Yan, Jun; Gabb, David; Long, De-Liang; Cronin, Leroy","Silver Linked Polyoxometalate Open Frameworks (Ag-POMOFs) for the Directed Fabrication of Silver Nanomaterials","Crystal Growth & Design","2011","11","6","2471","","10.1021/cg2002496","","","0.71073","MoKα","","0.0267","0.0255","","","0.0609","0.0613","","","","","","1.229","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500749","20.5131","0.0002","20.5131","0.0002","33.4645","0.0005","90","","90","","120","","12194.9","0.2","150","2","150","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C24 H41 Ag4 N12 O60 Sb W18 -","- C24 H36 Ag3.96 N12 O60 Sb W18 -","- C144 H216 Ag23.76 N72 O360 Sb6 W108 -","6","0.166667","","McGlone, Thomas; Streb, Carsten; Busquets-Fité, Martí; Yan, Jun; Gabb, David; Long, De-Liang; Cronin, Leroy","Silver Linked Polyoxometalate Open Frameworks (Ag-POMOFs) for the Directed Fabrication of Silver Nanomaterials","Crystal Growth & Design","2011","11","6","2471","","10.1021/cg2002496","","","1.54178","CuKα","","0.0529","0.0452","","","0.1321","0.1405","","","","","","1.125","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500750","20.5547","0.0009","20.5547","0.0009","33.1479","0.0019","90","","90","","120","","12128.6","1","150","2","150","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C24 H36 Ag4 Bi N12 O60 W18 -","- C22.2 H30.6 Ag3.93 Bi N10.2 O60 W18 -","- C133.2 H183.6 Ag23.58 Bi6 N61.2 O360 W108 -","6","0.166667","","McGlone, Thomas; Streb, Carsten; Busquets-Fité, Martí; Yan, Jun; Gabb, David; Long, De-Liang; Cronin, Leroy","Silver Linked Polyoxometalate Open Frameworks (Ag-POMOFs) for the Directed Fabrication of Silver Nanomaterials","Crystal Growth & Design","2011","11","6","2471","","10.1021/cg2002496","","","0.71073","MoKα","","0.0753","0.0543","","","0.1327","0.1571","","","","","","1.122","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500751","13.318","0.003","23.362","0.005","23.198","0.005","90","","95.652","0.009","90","","7183","3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H70 N7 O66 Sb W18 -","- C13.5 H47.5 N7 O66 Sb W18 -","- C54 H190 N28 O264 Sb4 W72 -","4","1","","McGlone, Thomas; Streb, Carsten; Busquets-Fité, Martí; Yan, Jun; Gabb, David; Long, De-Liang; Cronin, Leroy","Silver Linked Polyoxometalate Open Frameworks (Ag-POMOFs) for the Directed Fabrication of Silver Nanomaterials","Crystal Growth & Design","2011","11","6","2471","","10.1021/cg2002496","","","0.71073","MoKα","","0.0634","0.0415","","","0.0816","0.0886","","","","","","1.041","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500752","12.8261","0.0006","13.0348","0.0005","13.37","0.0005","73.647","0.003","61.499","0.004","89.952","0.003","1861.13","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H80 Bi N7 O71 W18 -","- C14 Bi N7 O71 W18 -","- C14 Bi N7 O71 W18 -","1","0.5","","McGlone, Thomas; Streb, Carsten; Busquets-Fité, Martí; Yan, Jun; Gabb, David; Long, De-Liang; Cronin, Leroy","Silver Linked Polyoxometalate Open Frameworks (Ag-POMOFs) for the Directed Fabrication of Silver Nanomaterials","Crystal Growth & Design","2011","11","6","2471","","10.1021/cg2002496","","","0.71073","MoKα","","0.0379","0.032","","","0.0801","0.0819","","","","","","1.071","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500753","16.5543","0.0003","20.5284","0.0003","22.6908","0.0003","92.776","0.001","109.43","0.001","108.94","0.001","6771.7","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H179 N10 O60 Sb W18 -","- C37.7 N6 O60 Sb W18 -","- C75.4 N12 O120 Sb2 W36 -","2","1","","McGlone, Thomas; Streb, Carsten; Busquets-Fité, Martí; Yan, Jun; Gabb, David; Long, De-Liang; Cronin, Leroy","Silver Linked Polyoxometalate Open Frameworks (Ag-POMOFs) for the Directed Fabrication of Silver Nanomaterials","Crystal Growth & Design","2011","11","6","2471","","10.1021/cg2002496","","","0.71073","MoKα","","0.0641","0.0394","","","0.1085","0.1137","","","","","","0.93","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500754","42.0448","0.0003","42.0448","0.0003","15.6967","0.0002","90","","90","","90","","27748.1","0.5","150","2","150","2","","","","","","","","6","I 4","I 4","79","","","","- C86 H192 Bi N8 O60 W18 -","- C58.2 Bi N5 O60 W18 -","- C465.6 Bi8 N40 O480 W144 -","8","1","","McGlone, Thomas; Streb, Carsten; Busquets-Fité, Martí; Yan, Jun; Gabb, David; Long, De-Liang; Cronin, Leroy","Silver Linked Polyoxometalate Open Frameworks (Ag-POMOFs) for the Directed Fabrication of Silver Nanomaterials","Crystal Growth & Design","2011","11","6","2471","","10.1021/cg2002496","","","0.71073","MoKα","","0.0657","0.0389","","","0.0787","0.0822","","","","","","0.903","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500755","25.5852","0.0015","29.62","0.0018","58.413","0.004","90","","90","","90","","44267","5","293","2","293","2","","","","","","","","8","F d d d :2","-F 2uv 2vw","70","","","","- C20 H16 Cl Cu3 Mo N4 O S3 -","- C20 H16 Cl Cu3 Mo N4 O S3 -","- C640 H512 Cl32 Cu96 Mo32 N128 O32 S96 -","32","1","","Han, Yi; Zhang, Zhenhua; Liu, Yanyan; Niu, Yunyin; Ding, Degang; Wu, Benlai; Hou, Hongwei; Fan, Yaoting","External Template-Assisted Self-Assembly:Design and Synthesis of 4,4′-bipy-Based Mo(W)/Cu/S Heterothiometallic Polymeric Clusters Directed by 1,1′-Bis(pyridinium)methylene Cation","Crystal Growth & Design","2011","11","8","3448","","10.1021/cg200250m","","","0.71073","MoKα","","0.1116","0.053","","","0.1492","0.1572","","","","","","1.016","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500756","25.569","0.004","29.638","0.004","58.594","0.009","90","","90","","90","","44403","11","296","2","296","2","","","","","","","","8","F d d d :2","-F 2uv 2vw","70","","","","- C20 H16 Cl Cu3 N4 O S3 W -","- C20 H16 Cl Cu3 N4 O S3 W -","- C640 H512 Cl32 Cu96 N128 O32 S96 W32 -","32","1","","Han, Yi; Zhang, Zhenhua; Liu, Yanyan; Niu, Yunyin; Ding, Degang; Wu, Benlai; Hou, Hongwei; Fan, Yaoting","External Template-Assisted Self-Assembly:Design and Synthesis of 4,4′-bipy-Based Mo(W)/Cu/S Heterothiometallic Polymeric Clusters Directed by 1,1′-Bis(pyridinium)methylene Cation","Crystal Growth & Design","2011","11","8","3448","","10.1021/cg200250m","","","0.71073","MoKα","","0.0945","0.0526","","","0.1172","0.1253","","","","","","1.011","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500757","9.783","0.011","14.226","0.016","19.58","0.02","72.595","0.014","78.897","0.014","87.935","0.014","2551","5","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H31 Cu3 Mo N8 O2 S4 -","- C34 H31 Cu3 Mo N8 O2 S4 -","- C68 H62 Cu6 Mo2 N16 O4 S8 -","2","1","","Han, Yi; Zhang, Zhenhua; Liu, Yanyan; Niu, Yunyin; Ding, Degang; Wu, Benlai; Hou, Hongwei; Fan, Yaoting","External Template-Assisted Self-Assembly:Design and Synthesis of 4,4′-bipy-Based Mo(W)/Cu/S Heterothiometallic Polymeric Clusters Directed by 1,1′-Bis(pyridinium)methylene Cation","Crystal Growth & Design","2011","11","8","3448","","10.1021/cg200250m","","","0.71073","MoKα","","0.1002","0.0547","","","0.1453","0.1614","","","","","","0.958","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500758","40.669","0.003","9.7097","0.0007","24.7394","0.0019","90","","105.023","0.001","90","","9435.3","1.2","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C35 H41 Cu3 N9 O4 S4 W -","- C35 H41 Cu3 N9 O4 S4 W -","- C280 H328 Cu24 N72 O32 S32 W8 -","8","1","","Han, Yi; Zhang, Zhenhua; Liu, Yanyan; Niu, Yunyin; Ding, Degang; Wu, Benlai; Hou, Hongwei; Fan, Yaoting","External Template-Assisted Self-Assembly:Design and Synthesis of 4,4′-bipy-Based Mo(W)/Cu/S Heterothiometallic Polymeric Clusters Directed by 1,1′-Bis(pyridinium)methylene Cation","Crystal Growth & Design","2011","11","8","3448","","10.1021/cg200250m","","","0.71073","MoKα","","0.0473","0.0358","","","0.1059","0.1149","","","","","","1.009","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500759","7.068","0.005","8.481","0.006","14.32","0.01","84.287","0.009","78.229","0.009","69.272","0.008","785.6","1","250","","250","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N2 O5 -","- C17 H16 N2 O5 -","- C34 H32 N4 O10 -","2","1","","Hisamatsu, Shugo; Masu, Hyuma; Azumaya, Isao; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","U-Shaped Ureadicarboxylic Acid as a Versatile Folding Unit for Construction of Zigzag-type Architecture","Crystal Growth & Design","2011","11","5","1453","","10.1021/cg2002546","","","0.71073","MoKα","","0.0851","0.0626","","","0.1812","0.2009","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500760","20.222","0.002","6.6626","0.0007","18.9969","0.0019","90","","114.095","0.001","90","","2336.5","0.4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N4 O5 -","- C27 H24 N4 O5 -","- C108 H96 N16 O20 -","4","1","","Hisamatsu, Shugo; Masu, Hyuma; Azumaya, Isao; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","U-Shaped Ureadicarboxylic Acid as a Versatile Folding Unit for Construction of Zigzag-type Architecture","Crystal Growth & Design","2011","11","5","1453","","10.1021/cg2002546","","","0.71073","MoKα","","0.0588","0.0399","","","0.0981","0.1101","","","","","","1.011","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500761","21.787","0.002","6.5789","0.0007","19.458","0.002","90","","115.136","0.001","90","","2524.9","0.4","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N4 O5 -","- C29 H26 N4 O5 -","- C116 H104 N16 O20 -","4","1","","Hisamatsu, Shugo; Masu, Hyuma; Azumaya, Isao; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","U-Shaped Ureadicarboxylic Acid as a Versatile Folding Unit for Construction of Zigzag-type Architecture","Crystal Growth & Design","2011","11","5","1453","","10.1021/cg2002546","","","0.71073","MoKα","","0.0759","0.0448","","","0.1074","0.1252","","","","","","1.038","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500762","26.1395","0.0011","6.5865","0.0003","19.047","0.0007","90","","101.757","0.003","90","","3210.5","0.2","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H32 N4 O5 -","- C41 H32 N4 O5 -","- C164 H128 N16 O20 -","4","1","","Hisamatsu, Shugo; Masu, Hyuma; Azumaya, Isao; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","U-Shaped Ureadicarboxylic Acid as a Versatile Folding Unit for Construction of Zigzag-type Architecture","Crystal Growth & Design","2011","11","5","1453","","10.1021/cg2002546","","","0.71073","MoKα","","0.1636","0.0805","","","0.1688","0.1995","","","","","","1.066","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500763","11.0981","0.0003","11.5988","0.0003","21.6744","0.0006","90","","90","","90","","2790.03","0.13","173","","173","","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C28 H29 N5 O8 -","- C28 H29 N5 O8 -","- C112 H116 N20 O32 -","4","0.5","","Hisamatsu, Shugo; Masu, Hyuma; Azumaya, Isao; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","U-Shaped Ureadicarboxylic Acid as a Versatile Folding Unit for Construction of Zigzag-type Architecture","Crystal Growth & Design","2011","11","5","1453","","10.1021/cg2002546","","","0.71073","MoKα","","0.0718","0.0592","","","0.1703","0.183","","","","","","1.039","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500764","11.3891","0.0006","11.3891","0.0006","26.872","0.003","90","","90","","120","","3018.6","0.4","296","2","296","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C20 H15 Eu Li N3 O8 -","- C20 H15 Eu Li N3 O8 -","- C120 H90 Eu6 Li6 N18 O48 -","6","0.5","","Peng, Guo; Ma, Li; Cai, Jinbiao; Liang, Li; Deng, Hong; Kostakis, George E.","Influence of Alkali Metal Cation (Li(I), Na(I), K(I)) on the Construction of Chiral and Achiral Heterometallic Coordination Polymers","Crystal Growth & Design","2011","11","6","2485","2492","10.1021/cg200255r","","","0.71073","MoKα","","0.0167","0.0157","","","0.0366","0.037","","","","","","1.082","","","","has coordinates","180551","2020-10-21","18:00:00",""
"4500765","11.3686","0.0003","11.3686","0.0003","26.7353","0.0012","90","","90","","120","","2992.47","0.17","296","2","296","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C20 H15 Li N3 O8 Tb -","- C20 H15 Li N3 O8 Tb -","- C120 H90 Li6 N18 O48 Tb6 -","6","0.5","","Peng, Guo; Ma, Li; Cai, Jinbiao; Liang, Li; Deng, Hong; Kostakis, George E.","Influence of Alkali Metal Cation (Li(I), Na(I), K(I)) on the Construction of Chiral and Achiral Heterometallic Coordination Polymers","Crystal Growth & Design","2011","11","6","2485","2492","10.1021/cg200255r","","","0.71073","MoKα","","0.0177","0.0165","","","0.0384","0.0389","","","","","","1.133","","","","has coordinates","180551","2020-10-21","18:00:00",""
"4500766","11.6684","0.0003","11.6684","0.0003","27.714","0.0016","90","","90","","120","","3267.8","0.2","296","2","296","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C20 H15 Eu N3 Na O8 -","- C20 H15 Eu N3 Na O8 -","- C120 H90 Eu6 N18 Na6 O48 -","6","0.5","","Peng, Guo; Ma, Li; Cai, Jinbiao; Liang, Li; Deng, Hong; Kostakis, George E.","Influence of Alkali Metal Cation (Li(I), Na(I), K(I)) on the Construction of Chiral and Achiral Heterometallic Coordination Polymers","Crystal Growth & Design","2011","11","6","2485","2492","10.1021/cg200255r","","","0.71073","MoKα","","0.0586","0.0415","","","0.0803","0.0858","","","","","","1.053","","","","has coordinates","180551","2020-10-21","18:00:00",""
"4500767","11.6202","0.0007","11.6202","0.0007","27.55","0.003","90","","90","","120","","3221.7","0.4","296","2","296","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C20 H15 N3 Na O8 Tb -","- C20 H15 N3 Na O8 Tb -","- C120 H90 N18 Na6 O48 Tb6 -","6","0.5","","Peng, Guo; Ma, Li; Cai, Jinbiao; Liang, Li; Deng, Hong; Kostakis, George E.","Influence of Alkali Metal Cation (Li(I), Na(I), K(I)) on the Construction of Chiral and Achiral Heterometallic Coordination Polymers","Crystal Growth & Design","2011","11","6","2485","2492","10.1021/cg200255r","","","0.71073","MoKα","","0.0239","0.0202","","","0.0422","0.0433","","","","","","1.063","","","","has coordinates","180551","2020-10-21","18:00:00",""
"4500768","10.6936","0.0009","14.702","0.0012","12.9661","0.0011","90","","106.313","0.001","90","","1956.4","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 K N2 O8 Tb -","- C16 H14 K N2 O8 Tb -","- C64 H56 K4 N8 O32 Tb4 -","4","1","","Peng, Guo; Ma, Li; Cai, Jinbiao; Liang, Li; Deng, Hong; Kostakis, George E.","Influence of Alkali Metal Cation (Li(I), Na(I), K(I)) on the Construction of Chiral and Achiral Heterometallic Coordination Polymers","Crystal Growth & Design","2011","11","6","2485","2492","10.1021/cg200255r","","","0.71073","MoKα","","0.0304","0.024","","","0.0544","0.0572","","","","","","1.043","","","","has coordinates","180551","2020-10-21","18:00:00",""
"4500769","11.201","0.005","14.943","0.005","21.483","0.005","90","0.005","92.096","0.005","90","0.005","3593","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H50 N24 Ni2 O41 Si W12 -","- C32 H48 N24 Ni2 O41 Si W12 -","- C64 H96 N48 Ni4 O82 Si2 W24 -","2","0.5","","Wang, Xiu-li; Li, Jin; Tian, Ai-xiang; Zhao, Dan; Liu, Guo-cheng; Lin, Hong-yan","Assembly of Three NiII‒Bis(triazole) Complexes by Exerting the Linkage and Template Roles of Keggin Anions","Crystal Growth & Design","2011","11","8","3456","","10.1021/cg200261j","","","0.71069","MoKα","","0.0878","0.0671","","","0.1889","0.1983","","","","","","1.08","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500770","13.8427","0.0012","18.2148","0.0015","26.861","0.002","90","","94.172","0.001","90","","6754.8","1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H110 Mo24 N36 Ni2 O86 P2 -","- C60 H98 Mo24 N36 Ni2 O86 P2 -","- C120 H196 Mo48 N72 Ni4 O172 P4 -","2","0.5","","Wang, Xiu-li; Li, Jin; Tian, Ai-xiang; Zhao, Dan; Liu, Guo-cheng; Lin, Hong-yan","Assembly of Three NiII‒Bis(triazole) Complexes by Exerting the Linkage and Template Roles of Keggin Anions","Crystal Growth & Design","2011","11","8","3456","","10.1021/cg200261j","","","0.71073","MoKα","","0.0855","0.0561","","","0.1045","0.1116","","","","","","1.108","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500771","13.0024","0.0008","13.4765","0.0009","19.0107","0.0013","76.294","0.001","85.284","0.001","74.768","0.001","3121.9","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H88 Mo24 N30 Ni3 O94 P2 -","- C40 H60 Mo24 N30 Ni3 O94 P2 -","- C40 H60 Mo24 N30 Ni3 O94 P2 -","1","0.5","","Wang, Xiu-li; Li, Jin; Tian, Ai-xiang; Zhao, Dan; Liu, Guo-cheng; Lin, Hong-yan","Assembly of Three NiII‒Bis(triazole) Complexes by Exerting the Linkage and Template Roles of Keggin Anions","Crystal Growth & Design","2011","11","8","3456","","10.1021/cg200261j","","","0.71073","MoKα","","0.0785","0.056","","","0.1456","0.1692","","","","","","1.04","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500772","10.832","0.002","11.363","0.004","13.731","0.004","90","","94.53","0.02","90","","1684.8","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Cu2 N11 O2 -","- C12 H11 Cu2 N11 O2 -","- C48 H44 Cu8 N44 O8 -","4","1","","Pinta, Noelia De la; Serna, Zurine; Madariaga, Gotzon; Urtiaga, M. Karmele; Fidalgo, M. Luz; Cortés, Roberto","Ferromagnetic Interactions in an Unusual 2D Coordination Polymer Including Di-2-pyridylketone-Methoxilated Anion, (1,1)-Azide, and Rare (1,1,3,3)-Azide Bridging Ligands","Crystal Growth & Design","2011","11","5","1458","","10.1021/cg200267x","","","0.71073","MoKα","","0.0634","0.0462","","","","0.1285","","","","","","1.095","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500773","22.6523","0.0006","22.6523","0.0006","65.9502","0.0016","90","","90","","120","","29307","1.3","293","2","293","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","Zn4O(Me4BPDC)3","","","- C54 H48 O13 Zn4 -","- C54 H48 O13 Zn4 -","- C648 H576 O156 Zn48 -","12","0.333333","","Park, Tae-Hong; Koh, Kyoungmoo; Wong-Foy, Antek G.; Matzger, Adam J.","Nonlinear Properties in Coordination Copolymers Derived from Randomly Mixed Ligands","Crystal Growth & Design","2011","11","6","2059","","10.1021/cg200271e","","","1.54187","CuKα","","0.1042","0.0824","","","0.2275","0.2391","","","","","","1.381","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500774","10.601","0.002","12.185","0.002","16.651","0.003","78.53","0.03","77.04","0.03","80.68","0.03","2038.6","0.7","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H32 Co2 N6 O6 S3 -","- C50 H32 Co2 N6 O6 S3 -","- C100 H64 Co4 N12 O12 S6 -","2","1","","Morgan, Ian S.; Jennings, Michael; Vindigni, Alessandro; Clérac, Rodolphe; Preuss, Kathryn E.","[TDNQ][CoCp*2] and [TDNQ]3[CoCp2]2; Radical Anions of a 1,2,5-Thiadiazolo-naphthoquinone","Crystal Growth & Design","2011","11","6","2520","","10.1021/cg2002783","","","0.71073","MoKα","","0.0604","0.0419","","","0.0954","0.1043","","","","","","1.041","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500775","10.359","0.003","11.832","0.003","15.753","0.004","90.486","0.005","102.525","0.004","105.695","0.004","1809.9","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H40 Cl6 Co N2 O2 S -","- C33 H40 Cl6 Co N2 O2 S -","- C66 H80 Cl12 Co2 N4 O4 S2 -","2","1","","Morgan, Ian S.; Jennings, Michael; Vindigni, Alessandro; Clérac, Rodolphe; Preuss, Kathryn E.","[TDNQ][CoCp*2] and [TDNQ]3[CoCp2]2; Radical Anions of a 1,2,5-Thiadiazolo-naphthoquinone","Crystal Growth & Design","2011","11","6","2520","","10.1021/cg2002783","","","0.71073","MoKα","","0.1389","0.0668","","","0.1424","0.1727","","","","","","0.998","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500776","8.0336","0.0011","5.5785","0.0007","51.75","0.008","90","","90","","90","","2319.2","0.6","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","DH74","","","- C29 H24 O6 Zn -","- C29 H24 O6 Zn -","- C116 H96 O24 Zn4 -","4","1","","Holden, Daniel L.; Goulding, Helen V.; Bacsa, John; Berry, Neil G.; Greeves, Nicholas; Stephenson, Richard A.; Harrington, Ross W.; Clegg, William; Fogg, Andrew M.","Unusual Hybrid Materials Prepared by the Oxidation of a Ketone","Crystal Growth & Design","2011","11","7","3013","","10.1021/cg200286t","","","0.71073","MoKα","","0.0746","0.0708","","","0.1498","0.1517","","","","","","1.153","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500777","48.786","0.009","5.6211","0.0011","16.53","0.003","90","","96.074","0.003","90","","4507.6","1.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","dh17","","","- C52 H42 O14 Zn5 -","- C52 H42 O14 Zn5 -","- C208 H168 O56 Zn20 -","4","0.5","","Holden, Daniel L.; Goulding, Helen V.; Bacsa, John; Berry, Neil G.; Greeves, Nicholas; Stephenson, Richard A.; Harrington, Ross W.; Clegg, William; Fogg, Andrew M.","Unusual Hybrid Materials Prepared by the Oxidation of a Ketone","Crystal Growth & Design","2011","11","7","3013","","10.1021/cg200286t","","","0.71073","MoKα","","0.0684","0.0426","","","0.0969","0.1058","","","","","","1.018","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500778","45.229","0.014","6.5476","0.0019","7.2194","0.0018","90","","90.32","0.02","90","","2137.9","1.1","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Mg O6 -","- C26 H18 Mg O6 -","- C104 H72 Mg4 O24 -","4","0.5","","Holden, Daniel L.; Goulding, Helen V.; Bacsa, John; Berry, Neil G.; Greeves, Nicholas; Stephenson, Richard A.; Harrington, Ross W.; Clegg, William; Fogg, Andrew M.","Unusual Hybrid Materials Prepared by the Oxidation of a Ketone","Crystal Growth & Design","2011","11","7","3013","","10.1021/cg200286t","","","0.71073","MoKα","","0.2394","0.2054","","","0.5518","0.5659","","","","","","2.341","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500779","52.27","0.03","5.618","0.003","8.091","0.004","90","","94.773","0.006","90","","2368","2","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C29 H24 O6 Zn -","- C29 H24 O6 Zn -","- C116 H96 O24 Zn4 -","4","1","","Holden, Daniel L.; Goulding, Helen V.; Bacsa, John; Berry, Neil G.; Greeves, Nicholas; Stephenson, Richard A.; Harrington, Ross W.; Clegg, William; Fogg, Andrew M.","Unusual Hybrid Materials Prepared by the Oxidation of a Ketone","Crystal Growth & Design","2011","11","7","3013","","10.1021/cg200286t","","","0.6889","synchrotron","","0.096","0.0608","","","0.115","0.1312","","","","","","1.054","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500780","6.353","0.0002","6.5278","0.0002","8.3716","0.0002","80.297","0.001","78.226","0.001","89.048","0.001","334.956","0.017","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C12 H20 N4 O4 -","2","1","","Chambrier, Marie-Hélène; Bouhmaida, Nouzha; Bonhomme, François; Lebègue, Sébastien; Gillet, Jean-Michel; Jelsch, Christian; Ghermani, Nour Eddine","Electron and Electrostatic Properties of Three Crystal Forms of Piracetam","Crystal Growth & Design","2011","11","6","2528","","10.1021/cg200291t","","","0.71073","MoKα","","0.037","0.0258","","","0.0227","0.0242","","","","","","0.981","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500781","6.4539","0.0005","6.3857","0.0005","16.1814","0.001","90","","92.057","0.005","90","","666.45","0.08","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 N2 O2 -","- C6 H10 N2 O2 -","- C24 H40 N8 O8 -","4","1","","Chambrier, Marie-Hélène; Bouhmaida, Nouzha; Bonhomme, François; Lebègue, Sébastien; Gillet, Jean-Michel; Jelsch, Christian; Ghermani, Nour Eddine","Electron and Electrostatic Properties of Three Crystal Forms of Piracetam","Crystal Growth & Design","2011","11","6","2528","","10.1021/cg200291t","","","0.71073","MoKα","","0.0352","0.0259","","","0.026","0.0273","","","","","","1.012","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500782","6.9234","0.0002","7.4453","0.0002","9.0909","0.0002","97.948","0.001","103.971","0.001","115.797","0.001","393.225","0.019","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H12 N2 O3 -","- C6 H12 N2 O3 -","- C12 H24 N4 O6 -","2","1","","Chambrier, Marie-Hélène; Bouhmaida, Nouzha; Bonhomme, François; Lebègue, Sébastien; Gillet, Jean-Michel; Jelsch, Christian; Ghermani, Nour Eddine","Electron and Electrostatic Properties of Three Crystal Forms of Piracetam","Crystal Growth & Design","2011","11","6","2528","","10.1021/cg200291t","","","0.71073","MoKα","","0.0296","0.0243","","","0.0274","0.028","","","","","","1.35","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500783","19.973","0.002","38.081","0.004","24.667","0.005","90","","109.31","0.001","90","","17706","4","88","2","88","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C168 H156 Cl5 Cu17 N60 O6 -","- C168 Cl5 Cu17 N60 O6 -","- C672 Cl20 Cu68 N240 O24 -","4","0.5","","Fang, Zhen-Lan; Yu, Rong-Min; Wu, Xiao-Yuan; Huang, Jing-Shun; Lu, Can-Zhong","Microporous Metal‒Organic Frameworks: Structures, in Situ Formation of Ligand, and Crystal-to-Crystal Transformations","Crystal Growth & Design","2011","11","6","2546","","10.1021/cg200300x","","","0.71073","MoKα","","0.0694","0.064","","","0.2347","0.2511","","","","","","1.034","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500784","20.014","0.005","37.956","0.008","25.085","0.008","90","","109.384","0.003","90","","17976","8","88","2","88","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C168 H154 Cl5 Cu17 N60 O5 -","- C168 H144 Cl5 Cu17 N60 O5 -","- C672 H576 Cl20 Cu68 N240 O20 -","4","0.5","","Fang, Zhen-Lan; Yu, Rong-Min; Wu, Xiao-Yuan; Huang, Jing-Shun; Lu, Can-Zhong","Microporous Metal‒Organic Frameworks: Structures, in Situ Formation of Ligand, and Crystal-to-Crystal Transformations","Crystal Growth & Design","2011","11","6","2546","","10.1021/cg200300x","","","0.71073","MoKα","","0.0459","0.0395","","","0.0996","0.1124","","","","","","1.034","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500785","20.014","0.005","37.956","0.008","25.085","0.008","90","","109.384","0.003","90","","17976","8","88","2","88","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C168 H154 Cl5 Cu17 N60 O5 -","- C168 H144 Cl5 Cu17 N60 O5 -","- C672 H576 Cl20 Cu68 N240 O20 -","4","0.5","","Fang, Zhen-Lan; Yu, Rong-Min; Wu, Xiao-Yuan; Huang, Jing-Shun; Lu, Can-Zhong","Microporous Metal‒Organic Frameworks: Structures, in Situ Formation of Ligand, and Crystal-to-Crystal Transformations","Crystal Growth & Design","2011","11","6","2546","","10.1021/cg200300x","","","0.71073","MoKα","","0.0457","0.04","","","0.1052","0.11","","","","","","1.012","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500786","20.014","0.005","37.956","0.008","25.085","0.008","90","","109.384","0.003","90","","17976","8","88","2","88","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C168 H150 Cl5 Cu17 N60 O3 -","- C168 H144 Cl5 Cu17 N60 O3 -","- C672 H576 Cl20 Cu68 N240 O12 -","4","0.5","","Fang, Zhen-Lan; Yu, Rong-Min; Wu, Xiao-Yuan; Huang, Jing-Shun; Lu, Can-Zhong","Microporous Metal‒Organic Frameworks: Structures, in Situ Formation of Ligand, and Crystal-to-Crystal Transformations","Crystal Growth & Design","2011","11","6","2546","","10.1021/cg200300x","","","0.71073","MoKα","","0.0449","0.0393","","","0.1036","0.1082","","","","","","1.035","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500787","20.014","0.005","37.956","0.008","25.085","0.008","90","","109.384","0.003","90","","17976","8","88","2","88","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C168 H154 Br5 Cu17 N60 O5 -","- C168 H144 Br5 Cu17 N60 O5 -","- C672 H576 Br20 Cu68 N240 O20 -","4","0.5","","Fang, Zhen-Lan; Yu, Rong-Min; Wu, Xiao-Yuan; Huang, Jing-Shun; Lu, Can-Zhong","Microporous Metal‒Organic Frameworks: Structures, in Situ Formation of Ligand, and Crystal-to-Crystal Transformations","Crystal Growth & Design","2011","11","6","2546","","10.1021/cg200300x","","","0.71073","MoKα","","0.0497","0.0463","","","0.1525","0.1571","","","","","","1.089","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500788","20.015","0.003","38.064","0.006","25.197","0.006","90","","109.846","0.003","90","","18056","6","88","2","88","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C168 H150 Br5 Cu17 N60 O3 -","- C168 H144 Br5 Cu17 N60 O3 -","- C672 H576 Br20 Cu68 N240 O12 -","4","0.5","","Fang, Zhen-Lan; Yu, Rong-Min; Wu, Xiao-Yuan; Huang, Jing-Shun; Lu, Can-Zhong","Microporous Metal‒Organic Frameworks: Structures, in Situ Formation of Ligand, and Crystal-to-Crystal Transformations","Crystal Growth & Design","2011","11","6","2546","","10.1021/cg200300x","","","0.71073","MoKα","","0.0526","0.0438","","","0.1268","0.1363","","","","","","1.036","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500789","15.604","0.003","11.804","0.002","42.692","0.009","90","","92.43","0.03","90","","7856","3","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C139 H139 Cl2 N25 Nd4 O40 -","- C139 H139 Cl2 N25 Nd4 O40 -","- C278 H278 Cl4 N50 Nd8 O80 -","2","0.5","","Liu, Lei-Lei; Ren, Zhi-Gang; Zhu, Lian-Wen; Wang, Hui-Fang; Yan, Wen-Yan; Lang, Jian-Ping","Temperature-Driven Assembly of Ln(III) (Ln = Nd, Eu, Yb) Coordination Polymers of a Flexible Azo Calix[4]arene Polycarboxylate Ligand","Crystal Growth & Design","2011","11","8","3479","","10.1021/cg200308k","","","0.71073","MoKα","","0.1125","0.0838","","","0.1924","0.2135","","","","","","1.113","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500790","13.003","0.003","16.449","0.003","40.207","0.008","90","","90","","90","","8600","3","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C122 H95 Cl2 Eu4 N19 O33 -","- C122 H95 Cl2 Eu4 N19 O33 -","- C244 H190 Cl4 Eu8 N38 O66 -","2","0.25","","Liu, Lei-Lei; Ren, Zhi-Gang; Zhu, Lian-Wen; Wang, Hui-Fang; Yan, Wen-Yan; Lang, Jian-Ping","Temperature-Driven Assembly of Ln(III) (Ln = Nd, Eu, Yb) Coordination Polymers of a Flexible Azo Calix[4]arene Polycarboxylate Ligand","Crystal Growth & Design","2011","11","8","3479","","10.1021/cg200308k","","","0.71073","MoKα","","0.1043","0.0793","","","0.1654","0.18","","","","","","1.028","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500791","12.768","0.003","16.619","0.003","39.917","0.008","90","","90","","90","","8470","3","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C120 H92 Cl2 N18 O33 Yb4 -","- C120 H92 Cl2 N18 O33 Yb4 -","- C240 H184 Cl4 N36 O66 Yb8 -","2","0.25","","Liu, Lei-Lei; Ren, Zhi-Gang; Zhu, Lian-Wen; Wang, Hui-Fang; Yan, Wen-Yan; Lang, Jian-Ping","Temperature-Driven Assembly of Ln(III) (Ln = Nd, Eu, Yb) Coordination Polymers of a Flexible Azo Calix[4]arene Polycarboxylate Ligand","Crystal Growth & Design","2011","11","8","3479","","10.1021/cg200308k","","","0.71073","MoKα","","0.0879","0.0787","","","0.2166","0.2285","","","","","","1.065","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500792","11.2863","0.0016","11.2863","0.0016","50.133","0.01","90","","90","","90","","6386","1.8","223","2","223","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C61 H50 N10 Nd O16 -","- C61 H50.04 N10 Nd O16 -","- C244 H200.16 N40 Nd4 O64 -","4","0.25","","Liu, Lei-Lei; Ren, Zhi-Gang; Zhu, Lian-Wen; Wang, Hui-Fang; Yan, Wen-Yan; Lang, Jian-Ping","Temperature-Driven Assembly of Ln(III) (Ln = Nd, Eu, Yb) Coordination Polymers of a Flexible Azo Calix[4]arene Polycarboxylate Ligand","Crystal Growth & Design","2011","11","8","3479","","10.1021/cg200308k","","","0.71073","MoKα","","0.1059","0.0822","","","0.1651","0.1782","","","","","","1.068","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500793","11.2815","0.0016","11.2815","0.0016","49.769","0.01","90","","90","","90","","6334.2","1.8","223","2","223","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C61 H50 Eu N10 O16 -","- C61 H50.04 Eu N10 O16 -","- C244 H200.16 Eu4 N40 O64 -","4","0.25","","Liu, Lei-Lei; Ren, Zhi-Gang; Zhu, Lian-Wen; Wang, Hui-Fang; Yan, Wen-Yan; Lang, Jian-Ping","Temperature-Driven Assembly of Ln(III) (Ln = Nd, Eu, Yb) Coordination Polymers of a Flexible Azo Calix[4]arene Polycarboxylate Ligand","Crystal Growth & Design","2011","11","8","3479","","10.1021/cg200308k","","","0.71073","MoKα","","0.0978","0.0791","","","0.1966","0.2124","","","","","","1.097","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500794","11.3086","0.0016","11.3086","0.0016","49.019","0.01","90","","90","","90","","6268.8","1.8","223","2","223","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C61 H50 N10 O16 Yb -","- C61 H50.04 N10 O16 Yb -","- C244 H200.16 N40 O64 Yb4 -","4","0.25","","Liu, Lei-Lei; Ren, Zhi-Gang; Zhu, Lian-Wen; Wang, Hui-Fang; Yan, Wen-Yan; Lang, Jian-Ping","Temperature-Driven Assembly of Ln(III) (Ln = Nd, Eu, Yb) Coordination Polymers of a Flexible Azo Calix[4]arene Polycarboxylate Ligand","Crystal Growth & Design","2011","11","8","3479","","10.1021/cg200308k","","","0.71073","MoKα","","0.0936","0.0771","","","0.1819","0.1935","","","","","","1.143","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500795","20.0403","0.0011","20.0403","0.0011","21.4606","0.0012","90","","90","","90","","8618.9","0.8","123","2","123","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C52 H40 I8 O14 Si8 -","- C48 H32 I8 O12 Si8 -","- C192 H128 I32 O48 Si32 -","4","0.25","","Roll, Mark F.; Kampf, Jeffrey W.; Laine, Richard M.","Halogen Bonding Motifs in Polyhedral Phenylsilsesquioxanes: Effects of Systematic Variations in Geometry or Substitution","Crystal Growth & Design","2011","11","10","4360","","10.1021/cg200312g","","","0.71073","MoKα","","0.0915","0.074","","","0.2186","0.2302","","","","","","1.134","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500796","28.054","0.002","15.6168","0.0011","22.3246","0.0016","90","","108.859","0.001","90","","9255.7","1.1","85","2","85","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H40 I10 O15 Si10 -","- C60 H40 I10 O15 Si10 -","- C240 H160 I40 O60 Si40 -","4","0.5","","Roll, Mark F.; Kampf, Jeffrey W.; Laine, Richard M.","Halogen Bonding Motifs in Polyhedral Phenylsilsesquioxanes: Effects of Systematic Variations in Geometry or Substitution","Crystal Growth & Design","2011","11","10","4360","","10.1021/cg200312g","","","0.71073","MoKα","","0.0492","0.0461","","","0.1152","0.117","","","","","","1.058","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500797","32.082","0.009","14.704","0.004","28.755","0.008","90","","118.438","0.004","90","","11928","6","85","2","85","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C104 H88 I12 O18 Si12 -","- C104 H88 I12 O18 Si12 -","- C416 H352 I48 O72 Si48 -","4","0.5","","Roll, Mark F.; Kampf, Jeffrey W.; Laine, Richard M.","Halogen Bonding Motifs in Polyhedral Phenylsilsesquioxanes: Effects of Systematic Variations in Geometry or Substitution","Crystal Growth & Design","2011","11","10","4360","","10.1021/cg200312g","","","0.71073","MoKα","","0.1064","0.0919","","","0.2732","0.2885","","","","","","1.093","","","","has coordinates","179538","2020-10-21","18:00:00",""
"4500798","20.5738","0.001","20.5738","0.001","36.261","0.004","90","","90","","90","","15349","2","85","2","85","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C68 H57 Br8 O12 Si8 -","- C64 H52 Br8 O12 Si8 -","- C512 H416 Br64 O96 Si64 -","8","0.5","","Roll, Mark F.; Kampf, Jeffrey W.; Laine, Richard M.","Halogen Bonding Motifs in Polyhedral Phenylsilsesquioxanes: Effects of Systematic Variations in Geometry or Substitution","Crystal Growth & Design","2011","11","10","4360","","10.1021/cg200312g","","","0.71073","MoKα","","0.0626","0.0526","","","0.146","0.153","","","","","","1.089","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500799","12.7172","0.0009","12.7392","0.0009","13.089","0.0009","97.592","0.001","109.075","0.001","116.231","0.001","1699.3","0.2","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H24 Br16 O12 S2 Si8 -","- C49 H24 Br16 O12 S2 Si8 -","- C49 H24 Br16 O12 S2 Si8 -","1","0.5","","Roll, Mark F.; Kampf, Jeffrey W.; Laine, Richard M.","Halogen Bonding Motifs in Polyhedral Phenylsilsesquioxanes: Effects of Systematic Variations in Geometry or Substitution","Crystal Growth & Design","2011","11","10","4360","","10.1021/cg200312g","","","0.71073","MoKα","","0.0313","0.027","","","0.0742","0.0765","","","","","","1.045","","","","has coordinates,has disorder","179538","2020-10-21","18:00:00",""
"4500800","15.5726","0.001","20.4685","0.0013","20.6449","0.0013","65.399","0.001","74.616","0.001","82.172","0.001","5766.3","0.6","85","2","85","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H36 Br24 Cl5 O12 Si8 -","- C54 H20 Br24 Cl2 O12 Si8 -","- C108 H40 Br48 Cl4 O24 Si16 -","2","1","","Roll, Mark F.; Kampf, Jeffrey W.; Laine, Richard M.","Halogen Bonding Motifs in Polyhedral Phenylsilsesquioxanes: Effects of Systematic Variations in Geometry or Substitution","Crystal Growth & Design","2011","11","10","4360","","10.1021/cg200312g","","","0.71073","MoKα","","0.0757","0.0629","","","0.1935","0.2024","","","","","","1.089","","","","has coordinates,has disorder","179539","2020-10-21","18:00:00",""
"4500801","28.33","0.003","27.766","0.003","9.9055","0.0011","90","","90","","90","","7791.8","1.5","291","2","291","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C57 H56 N16 O16 Zn2 -","- C57 H56 N16 O16 Zn2 -","- C228 H224 N64 O64 Zn8 -","4","0.5","","Yao, Xiao-Qiang; Zhang, Ming-Dao; Hu, Jin-Song; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Two Porous Zinc Coordination Polymers with (10,3) Topological Features Based on a N-Centered Tripodal Ligand and the Conversion of a (10,3)-d Subnet to a (10,3)-a Subnet","Crystal Growth & Design","2011","11","7","3039","","10.1021/cg200315f","","","0.71073","MoKα","","0.0797","0.0506","","","0.0959","0.1","","","","","","1.007","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500802","7.9114","0.0011","14.2572","0.0019","29.557","0.002","90","","90","","90","","3333.9","0.7","291","2","291","2","","","","","","","","5","P 2 2 21","P 2c 2","17","","","","- C59 H52 N16 O12 Zn2 -","- C59 H52 N16 O12 Zn2 -","- C118 H104 N32 O24 Zn4 -","2","0.5","","Yao, Xiao-Qiang; Zhang, Ming-Dao; Hu, Jin-Song; Li, Yi-Zhi; Guo, Zi-Jian; Zheng, He-Gen","Two Porous Zinc Coordination Polymers with (10,3) Topological Features Based on a N-Centered Tripodal Ligand and the Conversion of a (10,3)-d Subnet to a (10,3)-a Subnet","Crystal Growth & Design","2011","11","7","3039","","10.1021/cg200315f","","","0.71073","MoKα","","0.0845","0.0678","","","0.1412","0.1452","","","","","","1.067","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500803","9.4124","0.0019","14.645","0.003","12.444","0.004","90","","129.841","0.018","90","","1317.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-ethyl-3-methylimidazolium tetrachloroferrat(III)","","","- C6 H11 Cl4 Fe N2 -","- C6 H11 Cl4 Fe N2 -","- C24 H44 Cl16 Fe4 N8 -","4","1","","Bäcker, Tobias; Breunig, Oliver; Valldor, Martin; Merz, Klaus; Vasylyeva, Vera; Mudring, Anja-Verena","In-Situ Crystal Growth and Properties of the Magnetic Ionic Liquid [C2mim][FeCl4]","Crystal Growth & Design","2011","11","6","2564","","10.1021/cg200326n","","","0.71073","MoKα","","0.159","0.0982","","","0.2509","0.3296","","","","","","1.047","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500804","6.1337","0.0012","14.362","0.003","7.1111","0.0014","90","","91.33","0.03","90","","626.3","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H11 Cl4 Fe N2 -","- C6 H11 Cl4 Fe N2 -","- C12 H22 Cl8 Fe2 N4 -","2","1","","Bäcker, Tobias; Breunig, Oliver; Valldor, Martin; Merz, Klaus; Vasylyeva, Vera; Mudring, Anja-Verena","In-Situ Crystal Growth and Properties of the Magnetic Ionic Liquid [C2mim][FeCl4]","Crystal Growth & Design","2011","11","6","2564","","10.1021/cg200326n","","","0.71073","MoKα","","0.1857","0.1425","","","0.3397","0.3707","","","","","","2.116","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500805","12.3475","0.0005","11.1929","0.0005","28.6734","0.0012","90","","98.816","0.001","90","","3916","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H37 Mg3 N7 O16 -","- C33 H37 Mg3 N7 O16 -","- C132 H148 Mg12 N28 O64 -","4","1","","Banerjee, Debasis; Finkelstein, Jeffrey; Smirnov, A.; Forster, Paul M.; Borkowski, Lauren A.; Teat, Simon J.; Parise, John B.","Synthesis and Structural Characterization of Magnesium Based Coordination Networks in Different Solvents","Crystal Growth & Design","2011","11","6","2572","","10.1021/cg200327y","","","0.41328","synchrotron","","0.0769","0.053","","","0.1382","0.1517","","","","","","1.037","","","","has coordinates,has disorder","179539","2020-10-21","18:00:00",""
"4500806","9.9364","0.0005","12.0694","0.0006","7.2763","0.0004","90","","106.497","0.0006","90","","836.7","0.08","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H7 Mg N O6 -","- C7 H7 Mg N O6 -","- C28 H28 Mg4 N4 O24 -","4","0.5","","Banerjee, Debasis; Finkelstein, Jeffrey; Smirnov, A.; Forster, Paul M.; Borkowski, Lauren A.; Teat, Simon J.; Parise, John B.","Synthesis and Structural Characterization of Magnesium Based Coordination Networks in Different Solvents","Crystal Growth & Design","2011","11","6","2572","","10.1021/cg200327y","","","0.7709","","","0.0537","0.052","","","0.1602","0.1621","","","","","","1.066","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500807","11.4799","0.0014","11.4799","0.0014","14.735","0.003","90","","90","","120","","1681.7","0.4","298","2","298","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C7 H3 Mg N O5 -","- C7 H3 Mg N O5 -","- C42 H18 Mg6 N6 O30 -","6","0.5","","Banerjee, Debasis; Finkelstein, Jeffrey; Smirnov, A.; Forster, Paul M.; Borkowski, Lauren A.; Teat, Simon J.; Parise, John B.","Synthesis and Structural Characterization of Magnesium Based Coordination Networks in Different Solvents","Crystal Growth & Design","2011","11","6","2572","","10.1021/cg200327y","","","0.71073","MoKα","","0.0275","0.0251","","","0.0711","0.0719","","","","","","1.128","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500808","13.7442","0.0014","14.2887","0.0015","14.1178","0.0014","90","","104.912","0.002","90","","2679.2","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Mg4 N8 O26.5 -","- C40 H44 Mg4 N8 O26.504 -","- C80 H88 Mg8 N16 O53.008 -","2","0.5","","Banerjee, Debasis; Finkelstein, Jeffrey; Smirnov, A.; Forster, Paul M.; Borkowski, Lauren A.; Teat, Simon J.; Parise, John B.","Synthesis and Structural Characterization of Magnesium Based Coordination Networks in Different Solvents","Crystal Growth & Design","2011","11","6","2572","","10.1021/cg200327y","","","0.71073","MoKα","","0.0766","0.0477","","","0.1246","0.1396","","","","","","1.013","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4500809","5.5343","0.0008","14.61","0.002","15.176","0.002","90","","92.342","0.002","90","","1226","0.3","200","2","200","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Waldschmidt, Audrey; Rietveld, Ivo; Couvrat, Nicolas; Dupray, Valérie; Sanselme, Morgane; Berton, Benjamin; Nicolai, Béatrice; Mahé, Nathalie; Petit, Samuel; Céolin, René; Coquerel, Gérard","About Aged Heterogeneous Liquid Inclusions Inside Organic Crystals in Relation to Crystal Formation, Structure, and Morphology","Crystal Growth & Design","2011","11","6","2580","","10.1021/cg200331n","","x-ray","0.71073","MoKα","","0.0414","0.0385","","","0.1042","0.1069","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500810","5.6103","0.0007","14.6856","0.0018","15.5496","0.0019","90","","92.043","0.002","90","","1280.3","0.3","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O2 -","- C16 H14 O2 -","- C64 H56 O8 -","4","1","","Waldschmidt, Audrey; Rietveld, Ivo; Couvrat, Nicolas; Dupray, Valérie; Sanselme, Morgane; Berton, Benjamin; Nicolai, Béatrice; Mahé, Nathalie; Petit, Samuel; Céolin, René; Coquerel, Gérard","About Aged Heterogeneous Liquid Inclusions Inside Organic Crystals in Relation to Crystal Formation, Structure, and Morphology","Crystal Growth & Design","2011","11","6","2580","","10.1021/cg200331n","","x-ray","0.71073","MoKα","","0.0528","0.0432","","","0.1242","0.1325","","","","","","1.005","","","","has coordinates,has disorder","179539","2020-10-21","18:00:00",""
"4500811","8.477","0.005","8.795","0.005","8.929","0.005","92.248","0.005","95.825","0.005","98.076","0.005","654.7","0.6","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C5 H15 Ga N2 O8 P2 -","- C5 H15 Ga N2 O8 P2 -","- C10 H30 Ga2 N4 O16 P4 -","2","1","","Olshansky, Jacob H.; Blau, Samuel M.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Understanding an Order‒Disorder Phase Transition in Ionothermally Synthesized Gallium Phosphates","Crystal Growth & Design","2011","11","7","3065","","10.1021/cg200332y","","","0.71073","MoKα","","0.0285","0.026","","0.0695","0.0677","0.0666","","","","","","1.0017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500812","8.451","0.0019","8.777","0.002","8.928","0.002","92.195","0.003","95.709","0.003","98.509","0.003","650.7","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C5 H15 Ga N2 O8 P2 -","- C5 H15 Ga N2 O8 P2 -","- C10 H30 Ga2 N4 O16 P4 -","2","1","","Olshansky, Jacob H.; Blau, Samuel M.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Understanding an Order‒Disorder Phase Transition in Ionothermally Synthesized Gallium Phosphates","Crystal Growth & Design","2011","11","7","3065","","10.1021/cg200332y","","","0.71073","MoKα","","0.0301","0.027","","0.0749","0.0732","0.0722","","","","","","0.8254","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500813","15.1432","0.0017","8.9454","0.001","8.973","0.001","90","","90","","90","","1215.5","0.2","100","","100","","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C5 H15 Ga N2 O8 P2 -","- C5 H15 Ga N2 O8 P2 -","- C20 H60 Ga4 N8 O32 P8 -","4","0.5","","Olshansky, Jacob H.; Blau, Samuel M.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Understanding an Order‒Disorder Phase Transition in Ionothermally Synthesized Gallium Phosphates","Crystal Growth & Design","2011","11","7","3065","","10.1021/cg200332y","","","0.71073","MoKα","","0.081","0.0574","","0.1124","0.1014","0.0933","","","","","","1.145","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500814","8.899","0.004","15.087","0.007","8.923","0.004","90","","90.114","0.007","90","","1198","0.9","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C5 H15 Ga N2 O8 P2 -","- C5 H15 Ga N2 O8 P2 -","- C20 H60 Ga4 N8 O32 P8 -","4","1","","Olshansky, Jacob H.; Blau, Samuel M.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Understanding an Order‒Disorder Phase Transition in Ionothermally Synthesized Gallium Phosphates","Crystal Growth & Design","2011","11","7","3065","","10.1021/cg200332y","","","0.71073","MoKα","","0.1098","0.0654","","0.1494","0.1285","0.1176","","","","","","0.9898","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500815","8.006","0.0005","9.3913","0.0005","13.4786","0.0008","74.611","0.003","75.053","0.003","86.102","0.003","944.02","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 N4 O5 S -","- C19 H20 N4 O5 S -","- C38 H40 N8 O10 S2 -","2","1","","Ghosh, Soumyajit; Bag, Partha Pratim; Reddy, C. Malla","Co-Crystals of Sulfamethazine with Some Carboxylic Acids and Amides: Co-Former Assisted Tautomerism in an Active Pharmaceutical Ingredient and Hydrogen Bond Competition Study","Crystal Growth & Design","2011","11","8","3489","","10.1021/cg200334m","","","0.71073","MoKα","","0.0527","0.0458","","","0.118","0.1288","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500816","7.9671","0.0003","9.4629","0.0004","13.9432","0.0006","73.662","0.002","74.468","0.002","87.24","0.002","971.5","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 N4 O6 S -","- C19 H20 N4 O6 S -","- C38 H40 N8 O12 S2 -","2","1","","Ghosh, Soumyajit; Bag, Partha Pratim; Reddy, C. Malla","Co-Crystals of Sulfamethazine with Some Carboxylic Acids and Amides: Co-Former Assisted Tautomerism in an Active Pharmaceutical Ingredient and Hydrogen Bond Competition Study","Crystal Growth & Design","2011","11","8","3489","","10.1021/cg200334m","","","0.71073","MoKα","","0.049","0.0395","","","0.1312","0.1452","","","","","","1.176","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500817","8.107","0.0004","17.5194","0.0008","14.7732","0.0007","90","","93.767","0.003","90","","2093.7","0.17","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Cl2 N4 O4 S -","- C19 H18 Cl2 N4 O4 S -","- C76 H72 Cl8 N16 O16 S4 -","4","1","","Ghosh, Soumyajit; Bag, Partha Pratim; Reddy, C. Malla","Co-Crystals of Sulfamethazine with Some Carboxylic Acids and Amides: Co-Former Assisted Tautomerism in an Active Pharmaceutical Ingredient and Hydrogen Bond Competition Study","Crystal Growth & Design","2011","11","8","3489","","10.1021/cg200334m","","","0.71073","MoKα","","0.0734","0.0411","","","0.1","0.1309","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500818","8.6932","0.0004","17.0624","0.0007","14.2695","0.0006","90","","106.554","0.003","90","","2028.82","0.15","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N4 O4 S -","- C18 H22 N4 O4 S -","- C72 H88 N16 O16 S4 -","4","1","","Ghosh, Soumyajit; Bag, Partha Pratim; Reddy, C. Malla","Co-Crystals of Sulfamethazine with Some Carboxylic Acids and Amides: Co-Former Assisted Tautomerism in an Active Pharmaceutical Ingredient and Hydrogen Bond Competition Study","Crystal Growth & Design","2011","11","8","3489","","10.1021/cg200334m","","","0.71073","MoKα","","0.0562","0.0412","","","0.123","0.1587","","","","","","0.91","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500819","11.4148","0.0007","20.1672","0.0012","14.8653","0.0009","90","","90","","90","","3422.1","0.4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H35 N9 O8 S2 -","- C30 H32 N9 O8 S2 -","- C120 H128 N36 O32 S8 -","4","0.5","","Ghosh, Soumyajit; Bag, Partha Pratim; Reddy, C. Malla","Co-Crystals of Sulfamethazine with Some Carboxylic Acids and Amides: Co-Former Assisted Tautomerism in an Active Pharmaceutical Ingredient and Hydrogen Bond Competition Study","Crystal Growth & Design","2011","11","8","3489","","10.1021/cg200334m","","","0.71073","MoKα","","0.0402","0.0349","","","0.0994","0.1091","","","","","","0.812","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500820","12.1076","0.0008","13.5903","0.0009","14.7508","0.001","77.756","0.001","66.198","0.001","85.237","0.001","2170.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 N4 O5 S -","- C23 H22 N4 O5 S -","- C92 H88 N16 O20 S4 -","4","2","","Ghosh, Soumyajit; Bag, Partha Pratim; Reddy, C. Malla","Co-Crystals of Sulfamethazine with Some Carboxylic Acids and Amides: Co-Former Assisted Tautomerism in an Active Pharmaceutical Ingredient and Hydrogen Bond Competition Study","Crystal Growth & Design","2011","11","8","3489","","10.1021/cg200334m","","","0.71073","MoKα","","0.0445","0.0355","","","0.0978","0.1064","","","","","","1.039","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500821","8.4321","0.0007","12.969","0.0011","17.5247","0.0016","90","","94.2","0.006","90","","1911.3","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N5 O3 S -","- C19 H21 N5 O3 S -","- C76 H84 N20 O12 S4 -","4","1","","Ghosh, Soumyajit; Bag, Partha Pratim; Reddy, C. Malla","Co-Crystals of Sulfamethazine with Some Carboxylic Acids and Amides: Co-Former Assisted Tautomerism in an Active Pharmaceutical Ingredient and Hydrogen Bond Competition Study","Crystal Growth & Design","2011","11","8","3489","","10.1021/cg200334m","","","0.71073","MoKα","","0.0966","0.086","","","0.2174","0.2253","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500822","9.684","0.004","15.716","0.006","25.31","0.009","90","","90","","90","","3852","3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H20 N6 O3 S -","- C18 H20 N6 O3 S -","- C144 H160 N48 O24 S8 -","8","1","","Ghosh, Soumyajit; Bag, Partha Pratim; Reddy, C. Malla","Co-Crystals of Sulfamethazine with Some Carboxylic Acids and Amides: Co-Former Assisted Tautomerism in an Active Pharmaceutical Ingredient and Hydrogen Bond Competition Study","Crystal Growth & Design","2011","11","8","3489","","10.1021/cg200334m","","","0.71073","MoKα","","0.0862","0.0475","","","0.1094","0.142","","","","","","1.075","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500823","8.3238","0.0006","9.5864","0.0008","14.0808","0.0011","109.249","0.002","95.432","0.002","106.165","0.002","997.06","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 N5 O4 S -","- C19 H20 N5 O4 S -","- C38 H40 N10 O8 S2 -","2","1","","Ghosh, Soumyajit; Bag, Partha Pratim; Reddy, C. Malla","Co-Crystals of Sulfamethazine with Some Carboxylic Acids and Amides: Co-Former Assisted Tautomerism in an Active Pharmaceutical Ingredient and Hydrogen Bond Competition Study","Crystal Growth & Design","2011","11","8","3489","","10.1021/cg200334m","","","0.71073","MoKα","","0.0614","0.0472","","","0.1551","0.1865","","","","","","0.783","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500824","8.5398","0.0004","18.2753","0.0007","13.3498","0.0005","90","","105.792","0.002","90","","2004.83","0.14","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H21 N5 O4 S -","- C19 H21 N5 O4 S -","- C76 H84 N20 O16 S4 -","4","2","","Ghosh, Soumyajit; Bag, Partha Pratim; Reddy, C. Malla","Co-Crystals of Sulfamethazine with Some Carboxylic Acids and Amides: Co-Former Assisted Tautomerism in an Active Pharmaceutical Ingredient and Hydrogen Bond Competition Study","Crystal Growth & Design","2011","11","8","3489","","10.1021/cg200334m","","","0.71073","MoKα","","0.0429","0.0361","","","0.0957","0.1014","","","","","","1.04","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500825","6.7701","0.0004","16.6846","0.0011","18.9656","0.0012","90","","90","","90","","2142.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 N4 O5 S -","- C23 H22 N4 O5 S -","- C92 H88 N16 O20 S4 -","4","1","","Ghosh, Soumyajit; Bag, Partha Pratim; Reddy, C. Malla","Co-Crystals of Sulfamethazine with Some Carboxylic Acids and Amides: Co-Former Assisted Tautomerism in an Active Pharmaceutical Ingredient and Hydrogen Bond Competition Study","Crystal Growth & Design","2011","11","8","3489","","10.1021/cg200334m","","","0.71073","MoKα","","0.029","0.0272","","","0.08","0.083","","","","","","0.895","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500826","9.9016","0.0019","16.818","0.003","23.978","0.005","90","","95.093","0.002","90","","3977.2","1.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H16 Cs2 F O24 P4 U2 -","- C28 H16 Cs2 F O24 P4 U2 -","- C112 H64 Cs8 F4 O96 P16 U8 -","4","1","","Adelani, Pius O.; Oliver, Allen G.; Albrecht-Schmitt, Thomas E.","Layered and Three-Dimensional Framework Cesium and Barium Uranyl Carboxyphenylphosphonates","Crystal Growth & Design","2011","11","7","3072","","10.1021/cg200337w","","","0.71073","MoKα","","0.073","0.0385","","","0.0585","0.0635","","","","","","0.868","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500827","14.1905","0.0012","15.1412","0.0013","21.4178","0.0018","85.019","0.001","88.303","0.001","88.252","0.001","4580.7","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H32 Cs4 O59 P8 U6 -","- C56 H32 Cs4 O59 P8 U6 -","- C112 H64 Cs8 O118 P16 U12 -","2","1","","Adelani, Pius O.; Oliver, Allen G.; Albrecht-Schmitt, Thomas E.","Layered and Three-Dimensional Framework Cesium and Barium Uranyl Carboxyphenylphosphonates","Crystal Growth & Design","2011","11","7","3072","","10.1021/cg200337w","","","0.71073","MoKα","","0.071","0.0396","","","0.0785","0.0851","","","","","","0.912","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500828","22.0556","0.0018","20.5225","0.0016","11.9563","0.0009","90","","90","","90","","5411.9","0.7","103","2","103","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C21 H12 Cs3 O28 P3 U3 -","- C21 H12 Cs3 O28 P3 U3 -","- C84 H48 Cs12 O112 P12 U12 -","4","0.5","","Adelani, Pius O.; Oliver, Allen G.; Albrecht-Schmitt, Thomas E.","Layered and Three-Dimensional Framework Cesium and Barium Uranyl Carboxyphenylphosphonates","Crystal Growth & Design","2011","11","7","3072","","10.1021/cg200337w","","","0.71073","MoKα","","0.0603","0.0423","","","0.1222","0.1327","","","","","","1.072","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500829","8.2956","0.0008","12.9202","0.0013","23.109","0.002","90","","90","","90","","2476.8","0.4","100","2","100","2","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C14 H8 Ba F2 O16 P2 U2 -","- C14 H8 Ba F2 O16 P2 U2 -","- C56 H32 Ba4 F8 O64 P8 U8 -","4","0.5","","Adelani, Pius O.; Oliver, Allen G.; Albrecht-Schmitt, Thomas E.","Layered and Three-Dimensional Framework Cesium and Barium Uranyl Carboxyphenylphosphonates","Crystal Growth & Design","2011","11","7","3072","","10.1021/cg200337w","","","0.71073","MoKα","","0.0515","0.0402","","","0.0837","0.086","","","","","","1.319","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500830","10.9737","0.0006","13.7663","0.0011","14.7029","0.0011","110.812","0.003","98.887","0.005","90.371","0.004","2046.7","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H94 N26 O40 U4 -","- C56 H90 N26 O40 U4 -","- C56 H90 N26 O40 U4 -","1","0.5","","Thuéry, Pierre","Uranyl Ion Complexation by Aliphatic Dicarboxylic Acids in the Presence of Cucurbiturils as Additional Ligands or Structure-Directing Agents","Crystal Growth & Design","2011","11","6","2606","","10.1021/cg200349p","","","0.71073","MoKα","","0.0321","0.0263","","","0.0691","0.0716","","","","","","1.027","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500831","10.8119","0.0003","13.8031","0.0003","15.1715","0.0004","72.374","0.001","86.505","0.001","89.934","0.002","2153.5","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H92 N26 O37 U4 -","- C58 H86 N26 O37 U4 -","- C58 H86 N26 O37 U4 -","1","0.5","","Thuéry, Pierre","Uranyl Ion Complexation by Aliphatic Dicarboxylic Acids in the Presence of Cucurbiturils as Additional Ligands or Structure-Directing Agents","Crystal Growth & Design","2011","11","6","2606","","10.1021/cg200349p","","","0.71073","MoKα","","0.049","0.0422","","","0.1143","0.117","","","","","","1.1","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500832","13.8427","0.0004","10.8346","0.0006","27.9882","0.0015","90","","97.554","0.003","90","","4161.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H98 N26 O40 U4 -","- C58 H94 N26 O40 U4 -","- C116 H188 N52 O80 U8 -","2","0.5","","Thuéry, Pierre","Uranyl Ion Complexation by Aliphatic Dicarboxylic Acids in the Presence of Cucurbiturils as Additional Ligands or Structure-Directing Agents","Crystal Growth & Design","2011","11","6","2606","","10.1021/cg200349p","","","0.71073","MoKα","","0.0872","0.0708","","","0.1588","0.1635","","","","","","1.204","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500833","19.8332","0.0019","17.3585","0.0013","16.4723","0.0013","90","","110.505","0.005","90","","5311.7","0.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H104 N34 O46 U4 -","- C70 H96 N34 O46 U4 -","- C140 H192 N68 O92 U8 -","2","0.5","","Thuéry, Pierre","Uranyl Ion Complexation by Aliphatic Dicarboxylic Acids in the Presence of Cucurbiturils as Additional Ligands or Structure-Directing Agents","Crystal Growth & Design","2011","11","6","2606","","10.1021/cg200349p","","","0.71073","MoKα","","0.0802","0.0464","","","0.0986","0.1091","","","","","","0.983","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500834","12.573","0.0006","15.38","0.0006","20.3515","0.0009","88.261","0.002","89.67","0.002","73.475","0.002","3771.1","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H76 N25 O33.5 U3 -","- C52 H69 N25 O33.5 U3 -","- C104 H138 N50 O67 U6 -","2","1","","Thuéry, Pierre","Uranyl Ion Complexation by Aliphatic Dicarboxylic Acids in the Presence of Cucurbiturils as Additional Ligands or Structure-Directing Agents","Crystal Growth & Design","2011","11","6","2606","","10.1021/cg200349p","","","0.71073","MoKα","","0.0568","0.0419","","","0.1143","0.1225","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500835","14.1924","0.0009","14.4051","0.001","17.9721","0.0013","75.762","0.003","71.555","0.004","74.542","0.004","3306.5","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H166 N28 O45 U4 -","- C104 H164 N28 O45 U4 -","- C104 H164 N28 O45 U4 -","1","0.5","","Thuéry, Pierre","Uranyl Ion Complexation by Aliphatic Dicarboxylic Acids in the Presence of Cucurbiturils as Additional Ligands or Structure-Directing Agents","Crystal Growth & Design","2011","11","6","2606","","10.1021/cg200349p","","","0.71073","MoKα","","0.064","0.0464","","","0.1159","0.1229","","","","","","1.055","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500836","11.4855","0.0006","17.7608","0.0009","17.8932","0.0004","81.984","0.003","81.888","0.003","71.627","0.002","3411.8","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C87 H143 Ca2 N25 O71 U8 -","- C87 H131 Ca2 N25 O71 U8 -","- C87 H131 Ca2 N25 O71 U8 -","1","0.5","","Thuéry, Pierre","Uranyl Ion Complexation by Aliphatic Dicarboxylic Acids in the Presence of Cucurbiturils as Additional Ligands or Structure-Directing Agents","Crystal Growth & Design","2011","11","6","2606","","10.1021/cg200349p","","","0.71073","MoKα","","0.0531","0.0398","","","0.0917","0.0968","","","","","","1.039","","","","has coordinates,has disorder","179539","2020-10-21","18:00:00",""
"4500837","10.8713","0.0007","16.6696","0.0006","17.9276","0.001","100.306","0.003","95.584","0.003","91.732","0.004","3177.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C93 H147 N27 O62 Sr2 U6 -","- C93 H145 N27 O62 Sr2 U6 -","- C93 H145 N27 O62 Sr2 U6 -","1","0.5","","Thuéry, Pierre","Uranyl Ion Complexation by Aliphatic Dicarboxylic Acids in the Presence of Cucurbiturils as Additional Ligands or Structure-Directing Agents","Crystal Growth & Design","2011","11","6","2606","","10.1021/cg200349p","","","0.71073","MoKα","","0.0506","0.0428","","","0.1079","0.111","","","","","","1.13","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500838","10.9467","0.0004","17.8697","0.0008","18.8015","0.0008","95.149","0.002","99.457","0.003","90.872","0.003","3611.5","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H162 N26 O66 Sr2 U8 -","- C102 H150 N26 O66 Sr2 U8 -","- C102 H150 N26 O66 Sr2 U8 -","1","0.5","","Thuéry, Pierre","Uranyl Ion Complexation by Aliphatic Dicarboxylic Acids in the Presence of Cucurbiturils as Additional Ligands or Structure-Directing Agents","Crystal Growth & Design","2011","11","6","2606","","10.1021/cg200349p","","","0.71073","MoKα","","0.049","0.0384","","","0.1038","0.1076","","","","","","1.05","","","","has coordinates,has disorder","179539","2020-10-21","18:00:00",""
"4500839","4.9895","0.0003","11.2668","0.0006","13.4131","0.0008","89.004","0.002","97.499","0.002","100.658","0.002","734.66","0.07","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N O8 -","- C16 H15 N O8 -","- C32 H30 N2 O16 -","2","1","","Karmakar, Anirban; Titi, Hatem M.; Goldberg, Israel","Coordination Polymers of 5-(2-Amino/Acetamido-4-carboxyphenoxy)-benzene-1,3-dioic Acids with Transition Metal Ions: Synthesis, Structure, and Catalytic Activity","Crystal Growth & Design","2011","11","6","2621","","10.1021/cg200350j","","","0.71073","MoKα","","0.0718","0.0515","","","0.1243","0.1364","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500840","10.134","0.0004","10.3552","0.0004","10.7436","0.0006","78.1625","0.0016","89.43","0.002","65.239","0.003","998.34","0.08","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H19 La N2 O10 -","- C18 H19 La N2 O10 -","- C36 H38 La2 N4 O20 -","2","1","","Karmakar, Anirban; Titi, Hatem M.; Goldberg, Israel","Coordination Polymers of 5-(2-Amino/Acetamido-4-carboxyphenoxy)-benzene-1,3-dioic Acids with Transition Metal Ions: Synthesis, Structure, and Catalytic Activity","Crystal Growth & Design","2011","11","6","2621","","10.1021/cg200350j","","","0.71073","MoKα","","0.048","0.0365","","","0.0799","0.0848","","","","","","1.031","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500841","9.5211","0.0004","9.9835","0.0004","11.4843","0.0005","96.342","0.002","97.063","0.002","111.763","0.0019","991.6","0.07","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H37 N3 Nd2 O22 -","- C33 H37 N3 Nd2 O22 -","- C33 H37 N3 Nd2 O22 -","1","0.5","","Karmakar, Anirban; Titi, Hatem M.; Goldberg, Israel","Coordination Polymers of 5-(2-Amino/Acetamido-4-carboxyphenoxy)-benzene-1,3-dioic Acids with Transition Metal Ions: Synthesis, Structure, and Catalytic Activity","Crystal Growth & Design","2011","11","6","2621","","10.1021/cg200350j","","","0.71073","MoKα","","0.0472","0.0394","","","0.0996","0.1042","","","","","","1.072","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500842","9.6047","0.0004","10.0427","0.0004","11.4589","0.0005","96.126","0.002","97.2065","0.0017","111.858","0.0019","1003.5","0.07","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H37 Ce2 N3 O22 -","- C33 H37 Ce2 N3 O22 -","- C33 H37 Ce2 N3 O22 -","1","0.5","","Karmakar, Anirban; Titi, Hatem M.; Goldberg, Israel","Coordination Polymers of 5-(2-Amino/Acetamido-4-carboxyphenoxy)-benzene-1,3-dioic Acids with Transition Metal Ions: Synthesis, Structure, and Catalytic Activity","Crystal Growth & Design","2011","11","6","2621","","10.1021/cg200350j","","","0.71073","MoKα","","0.0538","0.0427","","","0.0972","0.102","","","","","","1.053","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500843","9.9873","0.0003","12.3715","0.0004","15.289","0.0007","98.1485","0.0016","108.836","0.0017","105.377","0.003","1669.55","0.11","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 N3 Ni O9 -","- C25 H21 N3 Ni O9 -","- C50 H42 N6 Ni2 O18 -","2","1","","Karmakar, Anirban; Titi, Hatem M.; Goldberg, Israel","Coordination Polymers of 5-(2-Amino/Acetamido-4-carboxyphenoxy)-benzene-1,3-dioic Acids with Transition Metal Ions: Synthesis, Structure, and Catalytic Activity","Crystal Growth & Design","2011","11","6","2621","","10.1021/cg200350j","","","0.71073","MoKα","","0.0988","0.0596","","","0.1563","0.1693","","","","","","0.933","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500844","10.0171","0.0003","12.4196","0.0004","15.3363","0.0005","98.9554","0.0015","108.475","0.001","105.042","0.0015","1687.66","0.1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 Co N3 O9 -","- C25 H21 Co N3 O9 -","- C50 H42 Co2 N6 O18 -","2","1","","Karmakar, Anirban; Titi, Hatem M.; Goldberg, Israel","Coordination Polymers of 5-(2-Amino/Acetamido-4-carboxyphenoxy)-benzene-1,3-dioic Acids with Transition Metal Ions: Synthesis, Structure, and Catalytic Activity","Crystal Growth & Design","2011","11","6","2621","","10.1021/cg200350j","","","0.71073","MoKα","","0.1061","0.0648","","","0.1723","0.1895","","","","","","0.944","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500845","19.8252","0.0005","22.6037","0.0005","14.7099","0.0004","90","","106.653","0.0013","90","","6315.4","0.3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 N3 Ni O10 -","- C27 H23 N3 Ni O10 -","- C216 H184 N24 Ni8 O80 -","8","1","","Karmakar, Anirban; Titi, Hatem M.; Goldberg, Israel","Coordination Polymers of 5-(2-Amino/Acetamido-4-carboxyphenoxy)-benzene-1,3-dioic Acids with Transition Metal Ions: Synthesis, Structure, and Catalytic Activity","Crystal Growth & Design","2011","11","6","2621","","10.1021/cg200350j","","","0.71073","MoKα","","0.1154","0.0619","","","0.1478","0.1642","","","","","","0.909","","","","has coordinates,has disorder","179539","2020-10-21","18:00:00",""
"4500846","9.7118","0.0002","10.7141","0.0002","12.0639","0.0003","87.8804","0.0006","84.6264","0.0006","69.6892","0.0007","1172.05","0.04","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 N3 O9 Zn -","- C25 H21 N3 O9 Zn -","- C50 H42 N6 O18 Zn2 -","2","1","","Karmakar, Anirban; Titi, Hatem M.; Goldberg, Israel","Coordination Polymers of 5-(2-Amino/Acetamido-4-carboxyphenoxy)-benzene-1,3-dioic Acids with Transition Metal Ions: Synthesis, Structure, and Catalytic Activity","Crystal Growth & Design","2011","11","6","2621","","10.1021/cg200350j","","","0.71073","MoKα","","0.0423","0.0351","","","0.0923","0.0993","","","","","","1.048","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500847","8.88","0.0003","9.563","0.0004","13.438","0.0006","75.128","0.002","73.219","0.003","67.246","0.002","993.84","0.07","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 N2 O8 Zn -","- C21 H15 N2 O8 Zn -","- C42 H30 N4 O16 Zn2 -","2","1","","Karmakar, Anirban; Titi, Hatem M.; Goldberg, Israel","Coordination Polymers of 5-(2-Amino/Acetamido-4-carboxyphenoxy)-benzene-1,3-dioic Acids with Transition Metal Ions: Synthesis, Structure, and Catalytic Activity","Crystal Growth & Design","2011","11","6","2621","","10.1021/cg200350j","","","0.71073","MoKα","","0.1448","0.0736","","","0.191","0.2285","","","","","","1.07","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500848","8.6344","0.0004","13.7688","0.0006","15.5455","0.0009","89.0045","0.0017","89.3352","0.0019","77.349","0.002","1802.93","0.16","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 N4 O9 Zn -","- C33 H30 N4 O9 Zn -","- C66 H60 N8 O18 Zn2 -","2","1","","Karmakar, Anirban; Titi, Hatem M.; Goldberg, Israel","Coordination Polymers of 5-(2-Amino/Acetamido-4-carboxyphenoxy)-benzene-1,3-dioic Acids with Transition Metal Ions: Synthesis, Structure, and Catalytic Activity","Crystal Growth & Design","2011","11","6","2621","","10.1021/cg200350j","","","0.71073","MoKα","","0.0933","0.062","","","0.1187","0.1287","","","","","","1.032","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500849","13.3976","0.0002","14.4423","0.0003","14.5635","0.0004","70.3962","0.0007","65.2936","0.0007","68.9087","0.0013","2330.82","0.09","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H43 Ag3 N7 O12 -","- C45 H43 Ag3 N7 O12 -","- C90 H86 Ag6 N14 O24 -","2","1","","Karmakar, Anirban; Titi, Hatem M.; Goldberg, Israel","Coordination Polymers of 5-(2-Amino/Acetamido-4-carboxyphenoxy)-benzene-1,3-dioic Acids with Transition Metal Ions: Synthesis, Structure, and Catalytic Activity","Crystal Growth & Design","2011","11","6","2621","","10.1021/cg200350j","","","0.71073","MoKα","","0.0977","0.055","","","0.1298","0.147","","","","","","0.962","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500850","9.8468","0.0002","14.091","0.0003","19.5261","0.0004","85.1605","0.0008","78.4046","0.0009","82.902","0.0012","2628.7","0.09","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H57 Ag3 N8 O16 -","- C51 H57 Ag3 N8 O16 -","- C102 H114 Ag6 N16 O32 -","2","1","","Karmakar, Anirban; Titi, Hatem M.; Goldberg, Israel","Coordination Polymers of 5-(2-Amino/Acetamido-4-carboxyphenoxy)-benzene-1,3-dioic Acids with Transition Metal Ions: Synthesis, Structure, and Catalytic Activity","Crystal Growth & Design","2011","11","6","2621","","10.1021/cg200350j","","","0.71073","MoKα","","0.1052","0.0585","","","0.1447","0.1728","","","","","","1.001","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500851","11.211","0.003","12.244","0.003","8.541","0.002","90","","90","","90","","1172.4","0.5","298","2","298","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C17 H27 Cu4 N11 -","- C17 H25 Cu4 N11 -","- C34 H50 Cu8 N22 -","2","0.25","","Qin, Ying-Lian; Hou, Juan-Juan; Lv, Jin; Zhang, Xian-Ming","Organic Templated Cuprous Cyanide Open Frameworks Based on Cu2(CN)6Dimer with Strong and Long-Lived Luminescence","Crystal Growth & Design","2011","11","7","3101","","10.1021/cg200362c","","","0.71073","MoKα","","0.0529","0.0481","","","0.1109","0.1137","","","","","","1.174","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500852","11.361","0.007","12.393","0.008","8.44","0.006","90","","90","","90","","1188.3","1.4","298","2","298","2","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C19 H32 Cu4 N11 -","- C19 H30 Cu4 N11 -","- C38 H60 Cu8 N22 -","2","0.25","","Qin, Ying-Lian; Hou, Juan-Juan; Lv, Jin; Zhang, Xian-Ming","Organic Templated Cuprous Cyanide Open Frameworks Based on Cu2(CN)6Dimer with Strong and Long-Lived Luminescence","Crystal Growth & Design","2011","11","7","3101","","10.1021/cg200362c","","","0.71073","MoKα","","0.0445","0.0345","","","0.1038","0.1216","","","","","","1.266","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500853","16.3232","0.0016","8.7492","0.0009","10.9207","0.0011","90","","90","","90","","1559.6","0.3","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H16 Cu3 N7 -","- C11 H16 Cu3 N7 -","- C44 H64 Cu12 N28 -","4","0.5","","Qin, Ying-Lian; Hou, Juan-Juan; Lv, Jin; Zhang, Xian-Ming","Organic Templated Cuprous Cyanide Open Frameworks Based on Cu2(CN)6Dimer with Strong and Long-Lived Luminescence","Crystal Growth & Design","2011","11","7","3101","","10.1021/cg200362c","","","0.71073","MoKα","","0.0699","0.0586","","","0.1583","0.1651","","","","","","1.069","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500854","14.444","0.0018","12.5254","0.0015","13.3074","0.0016","90","","90","","90","","2407.5","0.5","140","2","140","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C11 H14 Cu4 N8 -","- C12 H15 Cu4 N7 -","- C48 H60 Cu16 N28 -","4","0.5","","Qin, Ying-Lian; Hou, Juan-Juan; Lv, Jin; Zhang, Xian-Ming","Organic Templated Cuprous Cyanide Open Frameworks Based on Cu2(CN)6Dimer with Strong and Long-Lived Luminescence","Crystal Growth & Design","2011","11","7","3101","","10.1021/cg200362c","","","0.71073","MoKα","","0.0912","0.0861","","","0.2363","0.2539","","","","","","1.184","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500855","49.052","0.006","9.5736","0.0011","20.209","0.002","90","","103.244","0.001","90","","9237.8","1.8","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C96 H90 Co6 N10 O33 -","- C96 H90 Co6 N10 O33 -","- C384 H360 Co24 N40 O132 -","4","0.5","","Ma, Lu-Fang; Li, Cheng-Peng; Wang, Li-Ya; Du, Miao","CoIIand ZnIICoordination Frameworks with Benzene-1,2,3-tricarboxylate Tecton and Flexible Dipyridyl Co-Ligand: A New Type of Entangled Architecture and a Unique 4-Connected Topological Network","Crystal Growth & Design","2011","11","8","3309","","10.1021/cg200366a","","","0.71073","MoKα","","0.0499","0.0349","","","0.0803","0.0883","","","","","","1.024","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500856","9.8885","0.0011","10.9627","0.0012","17.946","0.002","90","","91.271","0.001","90","","1945","0.4","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 N2 O7 Zn2 -","- C21 H16 N2 O7 Zn2 -","- C84 H64 N8 O28 Zn8 -","4","1","","Ma, Lu-Fang; Li, Cheng-Peng; Wang, Li-Ya; Du, Miao","CoIIand ZnIICoordination Frameworks with Benzene-1,2,3-tricarboxylate Tecton and Flexible Dipyridyl Co-Ligand: A New Type of Entangled Architecture and a Unique 4-Connected Topological Network","Crystal Growth & Design","2011","11","8","3309","","10.1021/cg200366a","","","0.71073","MoKα","","0.0539","0.0356","","","0.0801","0.0892","","","","","","1.031","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500857","21.209","0.002","22.825","0.002","18.1999","0.0018","90","","90","","90","","8810.5","1.4","291","2","291","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C126 H120 F0 N2 O71 Zn14 -","- C126 H120 N2 O71 Zn14 -","- C252 H240 N4 O142 Zn28 -","2","0.25","","Qin, Ling; Hu, Jin-Song; Li, Yi-Zhi; Zheng, He-Gen","Three New Coordination Polymers Based on One Reduced Symmetry Tripodal Linker","Crystal Growth & Design","2011","11","7","3115","","10.1021/cg2003673","","","0.71073","MoKα","","0.0835","0.0544","","","0.1123","0.1187","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4500858","7.1422","0.0016","21.211","0.005","22.181","0.005","62.412","0.004","81.392","0.004","89.538","0.004","2937.5","1.2","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H39 Cd3 N O17 -","- C46 H39 Cd3 N O17 -","- C92 H78 Cd6 N2 O34 -","2","1","","Qin, Ling; Hu, Jin-Song; Li, Yi-Zhi; Zheng, He-Gen","Three New Coordination Polymers Based on One Reduced Symmetry Tripodal Linker","Crystal Growth & Design","2011","11","7","3115","","10.1021/cg2003673","","","0.71073","MoKα","","0.0856","0.0518","","","0.1452","0.1696","","","","","","1.058","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4500859","24.636","0.003","12.0873","0.0016","24.464","0.003","90","","115.818","0.002","90","","6557.8","1.4","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H26 Co N4 O6 -","- C39 H26 Co N4 O6 -","- C312 H208 Co8 N32 O48 -","8","1","","Qin, Ling; Hu, Jin-Song; Li, Yi-Zhi; Zheng, He-Gen","Three New Coordination Polymers Based on One Reduced Symmetry Tripodal Linker","Crystal Growth & Design","2011","11","7","3115","","10.1021/cg2003673","","","0.71073","MoKα","","0.097","0.0565","","","0.0766","0.0831","","","","","","1.005","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500860","11.226","0.002","21.458","0.004","22.428","0.004","106.694","0.002","92.651","0.002","104.983","0.001","4956.4","1.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C128 H98 O4 -","- C128 H98 O4 -","- C256 H196 O8 -","2","1","","O’Brien, Zachary J.; Natarajan, Arunkumar; Khan, Saeed; Garcia-Garibay, Miguel A.","Synthesis and Solid-State Rotational Dynamics of Molecular Gyroscopes with a Robust and Low Density Structure Built with a Phenylene Rotator and a Tri(meta-terphenyl)methyl Stator","Crystal Growth & Design","2011","11","6","2654","","10.1021/cg200373g","","","0.71073","MoKα","","0.1172","0.0636","","","0.1454","0.1724","","","","","","1.016","","","","has coordinates,has disorder","179539","2020-10-21","18:00:00",""
"4500861","10.1535","0.0004","13.2333","0.0006","23.732","0.0013","90","","90","","90","","3188.7","0.3","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 Cl2 N6 O8 Ru -","- C30 H24 Cl2 N6 O8 Ru -","- C120 H96 Cl8 N24 O32 Ru4 -","4","1","","Cheung, Eugene Y.; Fujii, Kotaro; Guo, Fang; Harris, Kenneth D. M.; Hasebe, Sayoko; Kuroda, Reiko","Structural Chemistry of a New Chiral Anhydrous Phase of Ru(bipy)3(ClO4)2Established from Powder X-ray Diffraction Analysis","Crystal Growth & Design","2011","11","8","3313","","10.1021/cg200379h","powder diffraction","x-ray","1.54056","","","","","","","","","0.05921","","4.84","","","","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500862","18.82","0.016","7.292","0.006","23.444","0.015","90","","123.17","0.05","90","","2693","4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C25.5 H13 F9 O6 Zn -","- C25.5 H13 F9 O6 Zn -","- C102 H52 F36 O24 Zn4 -","4","1","","Wu, Ya-Pan; Li, Dong-Sheng; Fu, Feng; Dong, Wen-Wen; Zhao, Jun; Zou, Kun; Wang, Yao-Yu","Stoichiometry of N-Donor Ligand Mediated Assembly in the ZnII-Hfipbb System: From a 2-Fold Interpenetrating Pillared-Network to Unique (3,4)-Connected Isomeric Nets","Crystal Growth & Design","2011","11","9","3850","","10.1021/cg200389q","","","0.71073","MoKα","","0.1178","0.0987","","","0.2914","0.3077","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500863","12.3826","0.0005","13.7119","0.0005","26.2216","0.001","90","","92.075","0.001","90","","4449.2","0.3","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H26 F12 N2 O9 S Zn2 -","- C44 H26 F12 N2 O9 S Zn2 -","- C176 H104 F48 N8 O36 S4 Zn8 -","4","1","","Wu, Ya-Pan; Li, Dong-Sheng; Fu, Feng; Dong, Wen-Wen; Zhao, Jun; Zou, Kun; Wang, Yao-Yu","Stoichiometry of N-Donor Ligand Mediated Assembly in the ZnII-Hfipbb System: From a 2-Fold Interpenetrating Pillared-Network to Unique (3,4)-Connected Isomeric Nets","Crystal Growth & Design","2011","11","9","3850","","10.1021/cg200389q","","","0.71073","MoKα","","0.0579","0.0511","","","0.1576","0.1654","","","","","","1.044","","","","has coordinates,has disorder","179539","2020-10-21","18:00:00",""
"4500864","24.768","0.004","13.071","0.002","27.906","0.004","90","","97.138","0.002","90","","8964","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C44 H26 F12 N2 O9 S Zn2 -","- C44 H26 F12 N2 O9 S Zn2 -","- C352 H208 F96 N16 O72 S8 Zn16 -","8","1","","Wu, Ya-Pan; Li, Dong-Sheng; Fu, Feng; Dong, Wen-Wen; Zhao, Jun; Zou, Kun; Wang, Yao-Yu","Stoichiometry of N-Donor Ligand Mediated Assembly in the ZnII-Hfipbb System: From a 2-Fold Interpenetrating Pillared-Network to Unique (3,4)-Connected Isomeric Nets","Crystal Growth & Design","2011","11","9","3850","","10.1021/cg200389q","","","0.71073","MoKα","","0.0905","0.0528","","","0.1254","0.138","","","","","","0.998","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500865","7.7757","0.0001","25.7669","0.0004","9.9187","0.0002","90","","90","","90","","1987.27","0.06","293","2","293","2","","","","","","","synthesis as described","5","C m c m","-C 2c 2","63","rp231","","","- C12 Co N10 O4 W -","- C12 Co N10 O4 W -","- C48 Co4 N40 O16 W4 -","4","0.25","","Podgajny, Robert; Choraży, Szymon; Nitek, Wojciech; Budziak, Andrzej; Rams, Michał; Gómez-García, Carlos J.; Oszajca, Marcin; Łasocha, Wiesław; Sieklucka, Barbara","Humidity-Driven Reversible Transformation and Guest Inclusion in a Two-Dimensional Coordination Framework Tailored by Organic Polyamine Cation","Crystal Growth & Design","2011","11","9","3866","","10.1021/cg2004062","","x-ray","0.71073","MoKα","","0.0591","0.0382","","","0.0763","0.0836","","","","","","1.111","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500866","8.0583","0.0005","26.3886","0.0015","9.1939","0.0005","90","","90","","90","","1955.1","0.2","353","2","353","2","","","","","","","synthesis as described","4","C m c m","-C 2c 2","63","rp231_353","","","- C24 Co2 N20 W2 -","- C24 Co2 N20 W2 -","- C48 Co4 N40 W4 -","2","0.125","","Podgajny, Robert; Choraży, Szymon; Nitek, Wojciech; Budziak, Andrzej; Rams, Michał; Gómez-García, Carlos J.; Oszajca, Marcin; Łasocha, Wiesław; Sieklucka, Barbara","Humidity-Driven Reversible Transformation and Guest Inclusion in a Two-Dimensional Coordination Framework Tailored by Organic Polyamine Cation","Crystal Growth & Design","2011","11","9","3866","","10.1021/cg2004062","","x-ray","0.71073","MoKα","","0.0532","0.0466","","","0.1169","0.1205","","","","","","1.106","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500867","7.922","0.0005","26.552","0.0014","9.2897","0.0004","90","","90","","90","","1954.04","0.18","293","","293","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C12 Co N10 W -","- C12 Co N10 W -","- C48 Co4 N40 W4 -","4","0.25","","Podgajny, Robert; Choraży, Szymon; Nitek, Wojciech; Budziak, Andrzej; Rams, Michał; Gómez-García, Carlos J.; Oszajca, Marcin; Łasocha, Wiesław; Sieklucka, Barbara","Humidity-Driven Reversible Transformation and Guest Inclusion in a Two-Dimensional Coordination Framework Tailored by Organic Polyamine Cation","Crystal Growth & Design","2011","11","9","3866","","10.1021/cg2004062","powder diffraction","","1.5418","CuKα","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500868","18.903","0.007","19.534","0.006","12.847","0.003","90","","129.327","0.011","90","","3670","2","200","","200","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[Co2(OA)(dib)2(H2O)]","","- C20 H14 Co N4 O5 -","- C20 H14 Co N4 O5 -","- C160 H112 Co8 N32 O40 -","8","1","","Chu, Qian; Su, Zhi; Fan, Jian; Okamura, Taka-aki; Lv, Gao-Chao; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Novel Cobalt(II) Coordination Polymers Constructed from 3,3′,4,4′-Oxydiphthalic Acid and N-Donor Ligands: Syntheses, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2011","11","9","3885","","10.1021/cg200416y","","","0.71075","MoKα","","0.0479","0.0378","","","0.0882","0.0936","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500869","10.81","0.004","24.347","0.006","17.19","0.005","90","","122.205","0.012","90","","3828","2","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Co2(OA)(bbi)2]-3(H2O)","","- C36 H40 Co2 N8 O12 -","- C36 H36 Co2 N8 O12 -","- C144 H144 Co8 N32 O48 -","4","1","","Chu, Qian; Su, Zhi; Fan, Jian; Okamura, Taka-aki; Lv, Gao-Chao; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Novel Cobalt(II) Coordination Polymers Constructed from 3,3′,4,4′-Oxydiphthalic Acid and N-Donor Ligands: Syntheses, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2011","11","9","3885","","10.1021/cg200416y","","","0.71075","MoKα","","0.1041","0.0632","","","0.1274","0.1435","","","","","","1.033","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500870","13.503","0.002","8.3507","0.0012","25.517","0.004","90","","101.973","0.003","90","","2814.7","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H54 Co3 N4 O26 -","- C56 H50 Co3 N4 O26 -","- C112 H100 Co6 N8 O52 -","2","0.5","","Chu, Qian; Su, Zhi; Fan, Jian; Okamura, Taka-aki; Lv, Gao-Chao; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Novel Cobalt(II) Coordination Polymers Constructed from 3,3′,4,4′-Oxydiphthalic Acid and N-Donor Ligands: Syntheses, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2011","11","9","3885","","10.1021/cg200416y","","","0.71073","MoKα","","0.0895","0.0578","","","0.1122","0.1223","","","","","","1.001","","","","has coordinates,has disorder","179539","2020-10-21","18:00:00",""
"4500871","11.3653","0.001","8.8027","0.0008","26.09","0.002","90","","102.322","0.002","90","","2550.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Co2(OA)(dpe)(H2O)2]","","- C28 H20 Co2 N2 O11 -","- C28 H20 Co2 N2 O11 -","- C112 H80 Co8 N8 O44 -","4","1","","Chu, Qian; Su, Zhi; Fan, Jian; Okamura, Taka-aki; Lv, Gao-Chao; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Novel Cobalt(II) Coordination Polymers Constructed from 3,3′,4,4′-Oxydiphthalic Acid and N-Donor Ligands: Syntheses, Crystal Structures, and Magnetic Properties","Crystal Growth & Design","2011","11","9","3885","","10.1021/cg200416y","","","0.71073","MoKα","","0.0575","0.0482","","","0.1163","0.1224","","","","","","1.003","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500872","6.574","0.006","12.213","0.007","31.326","0.009","90","","90","","90","","2515","3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H43 N3 O5 -","- C23 H43 N3 O5 -","- C92 H172 N12 O20 -","4","1","","André, Vânia; Cunha-Silva, Luís; Duarte, M. Teresa; Santos, Pedro Paulo","First Crystal Structures of the Antihypertensive Drug Perindopril Erbumine: A Novel Hydrated Form and Polymorphs α and β","Crystal Growth & Design","2011","11","9","3703","","10.1021/cg200430z","","","0.71069","MoKα","","0.1918","0.1526","","","0.3855","0.4119","","","","","","1.606","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500873","12.203","0.005","6.419","0.003","17.12","0.007","90","","97.065","0.011","90","","1330.8","1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H43 N3 O5 -","- C23 H43 N3 O5 -","- C46 H86 N6 O10 -","2","1","","André, Vânia; Cunha-Silva, Luís; Duarte, M. Teresa; Santos, Pedro Paulo","First Crystal Structures of the Antihypertensive Drug Perindopril Erbumine: A Novel Hydrated Form and Polymorphs α and β","Crystal Growth & Design","2011","11","9","3703","","10.1021/cg200430z","","","0.71069","MoKα","","0.3277","0.1185","","","0.2664","0.3283","","","","","","0.861","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4500874","6.578","0.003","12.104","0.005","16.729","0.007","97.92","0.15","94.76","0.16","91.32","0.16","1313.9","1.1","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C46 H86 N6 O12.5 -","- C46 H86 N6 O12.5 -","- C46 H86 N6 O12.5 -","1","1","","André, Vânia; Cunha-Silva, Luís; Duarte, M. Teresa; Santos, Pedro Paulo","First Crystal Structures of the Antihypertensive Drug Perindopril Erbumine: A Novel Hydrated Form and Polymorphs α and β","Crystal Growth & Design","2011","11","9","3703","","10.1021/cg200430z","","","0.71069","MoKα","","0.1259","0.0658","","","0.138","0.1581","","","","","","0.943","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500875","9.43","0.0008","9.43","0.0008","24.337","0.004","90","","90","","120","","1874.2","0.4","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","K0.6Mg0.6Mo3O12Sc1.4","","","- K0.6 Mg0.6 Mo3 O12 Sc1.4 -","- K0.6 Mg0.6 Mo3 O12 Sc1.4 -","- K3.6 Mg3.6 Mo18 O72 Sc8.4 -","6","0.166667","","Wang, Guojian; Huang, Yisheng; Zhang, Lizhen; Guo, Shengping; Xu, Gang; Lin, Zhoubin; Wang, Guofu","Growth, Structure, and Optical Properties of the Cr3+:K0.6(Mg0.3Sc0.7)2(MoO4)3Crystal","Crystal Growth & Design","2011","11","9","3895","","10.1021/cg200438p","","","0.71073","MoKα","","0.0156","0.015","","","0.0604","0.061","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500876","13.873","0.0014","13.873","0.0014","13.812","0.003","90","","90","","90","","2658.3","0.7","298","2","298","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C9 H9.5 Cd0.75 Na1.5 O9.25 -","- C9 H9.5 Cd0.75 Na1.5 O9.25 -","- C72 H76 Cd6 Na12 O74 -","8","1","","Fu, Ying; Su, Jie; Zou, Zhibo; Yang, Sihai; Li, Guobao; Liao, Fuhui; Lin, Jianhua","Syntheses, Structures, and Gas Adsorption Properties of Two Novel Cadmium‒Sodium Organic Frameworks with 1,3,5-Benzenetricarboxylate Ligands","Crystal Growth & Design","2011","11","8","3529","","10.1021/cg200443p","","","0.71073","MoKα","","0.0711","0.066","","","0.1961","0.2023","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500877","14.644","0.003","13.655","0.003","17.683","0.004","90","","111.63","0.03","90","","3287","1.4","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C29 H25 Cd3 N Na2 O22 -","- C29 H25 Cd3 N Na2 O22 -","- C116 H100 Cd12 N4 Na8 O88 -","4","1","","Fu, Ying; Su, Jie; Zou, Zhibo; Yang, Sihai; Li, Guobao; Liao, Fuhui; Lin, Jianhua","Syntheses, Structures, and Gas Adsorption Properties of Two Novel Cadmium‒Sodium Organic Frameworks with 1,3,5-Benzenetricarboxylate Ligands","Crystal Growth & Design","2011","11","8","3529","","10.1021/cg200443p","","","0.71073","MoKα","","0.043","0.0425","","","0.1616","0.1619","","","","","","1.005","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500878","13.7528","0.0011","10.7643","0.0009","18.0328","0.0014","90","","109.034","0.001","90","","2523.6","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Mn N4 O2 S2 -","- C26 H18 Mn N4 O2 S2 -","- C104 H72 Mn4 N16 O8 S8 -","4","0.5","","Ghosh, Totan; Chattopadhyay, Tanmay; Das, Sudhanshu; Mondal, Sandip; Suresh, Eringathodi; Zangrando, Ennio; Das, Debasis","Thiocyanate and Dicyanamide Anion Controlled Nuclearity in Mn, Co, Ni, Cu, and Zn Metal Complexes with Hemilabile Ligand 2-Benzoylpyridine","Crystal Growth & Design","2011","11","7","3198","","10.1021/cg2004485","","","0.71073","MoKα","","0.0338","0.0312","","","0.0833","0.0853","","","","","","1.016","","","","has coordinates","288193","2023-12-08","17:12:23",""
"4500879","8.148","0.006","13.341","0.009","13.685","0.009","62.342","0.011","87.107","0.013","82.933","0.013","1307.6","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H19 N4 Ni O2.5 S2 -","- C26 H18 N4 Ni O2.5 S2 -","- C52 H36 N8 Ni2 O5 S4 -","2","1","","Ghosh, Totan; Chattopadhyay, Tanmay; Das, Sudhanshu; Mondal, Sandip; Suresh, Eringathodi; Zangrando, Ennio; Das, Debasis","Thiocyanate and Dicyanamide Anion Controlled Nuclearity in Mn, Co, Ni, Cu, and Zn Metal Complexes with Hemilabile Ligand 2-Benzoylpyridine","Crystal Growth & Design","2011","11","7","3198","","10.1021/cg2004485","","","0.71073","MoKα","","0.1448","0.1098","","","0.2355","0.2544","","","","","","1.222","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500880","8.999","0.002","10.75","0.003","13.169","0.003","90","","90.178","0.004","90","","1274","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Cu N4 O2 S2 -","- C26 H18 Cu N4 O2 S2 -","- C52 H36 Cu2 N8 O4 S4 -","2","0.5","","Ghosh, Totan; Chattopadhyay, Tanmay; Das, Sudhanshu; Mondal, Sandip; Suresh, Eringathodi; Zangrando, Ennio; Das, Debasis","Thiocyanate and Dicyanamide Anion Controlled Nuclearity in Mn, Co, Ni, Cu, and Zn Metal Complexes with Hemilabile Ligand 2-Benzoylpyridine","Crystal Growth & Design","2011","11","7","3198","","10.1021/cg2004485","","","0.71073","MoKα","","0.0573","0.0376","","","0.1034","0.1225","","","","","","0.774","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500881","13.914","0.003","10.605","0.003","17.861","0.006","90","","108.927","0.007","90","","2493","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 N4 O2 S2 Zn -","- C26 H18 N4 O2 S2 Zn -","- C104 H72 N16 O8 S8 Zn4 -","4","0.5","","Ghosh, Totan; Chattopadhyay, Tanmay; Das, Sudhanshu; Mondal, Sandip; Suresh, Eringathodi; Zangrando, Ennio; Das, Debasis","Thiocyanate and Dicyanamide Anion Controlled Nuclearity in Mn, Co, Ni, Cu, and Zn Metal Complexes with Hemilabile Ligand 2-Benzoylpyridine","Crystal Growth & Design","2011","11","7","3198","","10.1021/cg2004485","","","0.71073","MoKα","","0.0319","0.0285","","","0.0919","0.0995","","","","","","0.956","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500882","8.6476","0.0002","12.7504","0.0003","15.8872","0.0004","90","","90","","90","","1751.73","0.07","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 Mn N7 O -","- C16 H9 Mn N7 O -","- C64 H36 Mn4 N28 O4 -","4","1","","Ghosh, Totan; Chattopadhyay, Tanmay; Das, Sudhanshu; Mondal, Sandip; Suresh, Eringathodi; Zangrando, Ennio; Das, Debasis","Thiocyanate and Dicyanamide Anion Controlled Nuclearity in Mn, Co, Ni, Cu, and Zn Metal Complexes with Hemilabile Ligand 2-Benzoylpyridine","Crystal Growth & Design","2011","11","7","3198","","10.1021/cg2004485","","","0.71073","MoKα","","0.0506","0.0353","","","0.0807","0.0879","","","","","","0.992","","","","has coordinates","288193","2023-12-08","17:12:23",""
"4500883","8.4837","0.0002","12.7231","0.0002","15.5816","0.0003","90","","90","","90","","1681.86","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 Co N7 O -","- C16 H9 Co N7 O -","- C64 H36 Co4 N28 O4 -","4","1","","Ghosh, Totan; Chattopadhyay, Tanmay; Das, Sudhanshu; Mondal, Sandip; Suresh, Eringathodi; Zangrando, Ennio; Das, Debasis","Thiocyanate and Dicyanamide Anion Controlled Nuclearity in Mn, Co, Ni, Cu, and Zn Metal Complexes with Hemilabile Ligand 2-Benzoylpyridine","Crystal Growth & Design","2011","11","7","3198","","10.1021/cg2004485","","","0.71073","MoKα","","0.0302","0.0258","","","0.0582","0.0602","","","","","","1.048","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500884","8.3767","0.0012","12.9906","0.0018","15.469","0.002","90","","90","","90","","1683.3","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 Cu N7 O -","- C16 H9 Cu N7 O -","- C64 H36 Cu4 N28 O4 -","4","1","","Ghosh, Totan; Chattopadhyay, Tanmay; Das, Sudhanshu; Mondal, Sandip; Suresh, Eringathodi; Zangrando, Ennio; Das, Debasis","Thiocyanate and Dicyanamide Anion Controlled Nuclearity in Mn, Co, Ni, Cu, and Zn Metal Complexes with Hemilabile Ligand 2-Benzoylpyridine","Crystal Growth & Design","2011","11","7","3198","","10.1021/cg2004485","","","0.71073","MoKα","","0.0293","0.0271","","","0.064","0.0648","","","","","","1.039","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500885","8.4574","0.0011","12.7306","0.0017","15.689","0.002","90","","90","","90","","1689.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H9 N7 O Zn -","- C16 H9 N7 O Zn -","- C64 H36 N28 O4 Zn4 -","4","1","","Ghosh, Totan; Chattopadhyay, Tanmay; Das, Sudhanshu; Mondal, Sandip; Suresh, Eringathodi; Zangrando, Ennio; Das, Debasis","Thiocyanate and Dicyanamide Anion Controlled Nuclearity in Mn, Co, Ni, Cu, and Zn Metal Complexes with Hemilabile Ligand 2-Benzoylpyridine","Crystal Growth & Design","2011","11","7","3198","","10.1021/cg2004485","","","0.71073","MoKα","","0.0323","0.0288","","","0.0721","0.0735","","","","","","1.054","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500886","18.9358","0.0004","81.0567","0.0019","5.8548","0.0001","90","","90","","90","","8986.4","0.3","173","2","173","2","","","","","","","synthesis as described","5","F d d 2","F 2 -2d","43","","","","- C25 H36 Fe N2 O2 -","- C25 H36 Fe N2 O2 -","- C400 H576 Fe16 N32 O32 -","16","1","","Coles, Martyn P.; Stokes, Francesca A.; Kingsbury, Benjamin F. K.; Day, Benjamin M.; Hitchcock, Peter B.","Planar Chirality and Helical Polymers: Ferrocenyl-Substituted Amidinium‒Carboxylate Salts","Crystal Growth & Design","2011","11","7","3206","","10.1021/cg200451c","","x-ray","0.71073","MoKα","","0.0376","0.0319","","","0.0824","0.0925","","","","","","1.129","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500887","9.6024","0.0002","11.2793","0.0002","13.0451","0.0003","88.804","0.001","79.869","0.001","69.421","0.001","1300.82","0.05","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C28 H42 Fe N2 O2 -","- C28 H42 Fe N2 O2 -","- C56 H84 Fe2 N4 O4 -","2","1","","Coles, Martyn P.; Stokes, Francesca A.; Kingsbury, Benjamin F. K.; Day, Benjamin M.; Hitchcock, Peter B.","Planar Chirality and Helical Polymers: Ferrocenyl-Substituted Amidinium‒Carboxylate Salts","Crystal Growth & Design","2011","11","7","3206","","10.1021/cg200451c","","x-ray","0.71073","MoKα","","0.0458","0.0397","","","0.0987","0.1033","","","","","","0.995","","","","has coordinates,has disorder","179539","2020-10-21","18:00:00",""
"4500888","12.1788","0.0004","10.3248","0.0003","21.0704","0.0007","90","","90.713","0.002","90","","2649.26","0.15","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H38 Fe N2 O2 -","- C30 H38 Fe N2 O2 -","- C120 H152 Fe4 N8 O8 -","4","1","","Coles, Martyn P.; Stokes, Francesca A.; Kingsbury, Benjamin F. K.; Day, Benjamin M.; Hitchcock, Peter B.","Planar Chirality and Helical Polymers: Ferrocenyl-Substituted Amidinium‒Carboxylate Salts","Crystal Growth & Design","2011","11","7","3206","","10.1021/cg200451c","","x-ray","0.71073","MoKα","","0.0725","0.0447","","","0.0899","0.1008","","","","","","1.024","","","","has coordinates,has disorder","179539","2020-10-21","18:00:00",""
"4500889","23.8115","0.0008","10.25","0.0003","24.8877","0.0009","90","","98.17","0","90","","6012.6","0.3","173","2","173","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H44 Fe N2 O2 -","- C33 H44 Fe N2 O2 -","- C264 H352 Fe8 N16 O16 -","8","1","","Coles, Martyn P.; Stokes, Francesca A.; Kingsbury, Benjamin F. K.; Day, Benjamin M.; Hitchcock, Peter B.","Planar Chirality and Helical Polymers: Ferrocenyl-Substituted Amidinium‒Carboxylate Salts","Crystal Growth & Design","2011","11","7","3206","","10.1021/cg200451c","","x-ray","0.71073","MoKα","","0.0509","0.0391","","","0.0942","0.1015","","","","","","1.024","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500890","12.0543","0.0003","11.6052","0.0002","17.7228","0.0005","90","","90","","90","","2479.29","0.1","173","2","173","2","","","","","","","synthesis as described","6","P n a 21","P 2c -2n","33","","","","- C25 H33 F3 Fe N2 O2 -","- C25 H33 F3 Fe N2 O2 -","- C100 H132 F12 Fe4 N8 O8 -","4","1","","Coles, Martyn P.; Stokes, Francesca A.; Kingsbury, Benjamin F. K.; Day, Benjamin M.; Hitchcock, Peter B.","Planar Chirality and Helical Polymers: Ferrocenyl-Substituted Amidinium‒Carboxylate Salts","Crystal Growth & Design","2011","11","7","3206","","10.1021/cg200451c","","x-ray","0.71073","MoKα","","0.0465","0.0395","","","0.0967","0.1027","","","","","","0.848","","","","has coordinates,has disorder","179539","2020-10-21","18:00:00",""
"4500891","15.6033","0.0002","15.6033","0.0002","8.8392","0.0001","90","","90","","120","","1863.7","0.04","298","2","293","2","","","","","","","see text","4","P 3 c 1","P 3 -2""c","158","","","","- Cd12.01 Na11.99 O90 S18 -","- Cd12.014 Na11.986 O90.006 S18 -","- Cd12.014 Na11.986 O90.006 S18 -","1","0.166667","","Saha, Dipankar; Madras, Giridhar; Guru Row, Tayur N.","Manipulation of the Hydration Levels in Minerals of Sodium Cadmium Bisulfate toward the Design of Functional Materials","Crystal Growth & Design","2011","11","7","3213","","10.1021/cg2004613","","","0.71073","MoKα","","0.0231","0.0213","","","0.053","0.0536","","","","","","1.039","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500892","5.5314","0.0002","8.4624","0.0003","11.3048","0.0004","90","","99.411","0.004","90","","522.04","0.03","298","2","298","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- Cd H8 Na2 O12 S2 -","- Cd H8 Na2 O12 S2 -","- Cd2 H16 Na4 O24 S4 -","2","0.5","","Saha, Dipankar; Madras, Giridhar; Guru Row, Tayur N.","Manipulation of the Hydration Levels in Minerals of Sodium Cadmium Bisulfate toward the Design of Functional Materials","Crystal Growth & Design","2011","11","7","3213","","10.1021/cg2004613","","","0.71073","MoKα","","0.021","0.018","","","0.043","0.0444","","","","","","1.069","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500893","5.9085","0.0003","13.0165","0.0005","5.5636","0.0002","90","","106.215","0.005","90","","410.86","0.03","293","2","298","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- Cd H4 Na2 O10 S2 -","- Cd H4 Na2 O10 S2 -","- Cd2 H8 Na4 O20 S4 -","2","0.5","","Saha, Dipankar; Madras, Giridhar; Guru Row, Tayur N.","Manipulation of the Hydration Levels in Minerals of Sodium Cadmium Bisulfate toward the Design of Functional Materials","Crystal Growth & Design","2011","11","7","3213","","10.1021/cg2004613","","","0.71073","MoKα","","0.0194","0.0189","","","0.0528","0.0532","","","","","","1.152","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500894","7.3067","0.0004","11.1954","0.0006","11.4438","0.0006","72.426","0.004","73.791","0.004","83.348","0.004","856.45","0.08","293","2","293","2","","","","","","","","6","P 1","P 1","1","catena-[(mu2-4,4^'^-bipyridyl)-(tri-aqua)-(sulfato-zinc(II))] [(mu2-4,4^'^-bipyridyl)-(di-aqua)-(di-sulfato-zinc(II))] [hexa-aqua-zinc(II)]","catena-[(mu2-4,4^'^-bipyridyl)-(tri-aqua)-(sulfato-zinc(II))] [(mu2-4,4^'^-bipyridyl)-(di-aqua)-(di-sulfato-zinc(II))] [hexa-aqua-zinc(II)]","","- C20 H38 N4 O23 S3 Zn3 -","- C20 H38 N4 O23 S3 Zn3 -","- C20 H38 N4 O23 S3 Zn3 -","1","1","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kravtsov, Victor Ch.; Fonari, Marina S.","Polymeric Zn(II) and Cd(II) Sulfates with Bipyridine and Dioxime Ligands: Supramolecular Isomerism, Chirality, and Luminescence","Crystal Growth & Design","2011","11","8","3536","","10.1021/cg200465f","","","0.71073","MoKα","","0.0271","0.0258","","","0.0613","0.0628","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4500895","20.971","0.0011","9.2303","0.0005","11.4429","0.0008","90","","110.431","0.007","90","","2075.6","0.2","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","catena-{(mu2-4,4^'^-bipyridyl)-(1,2-cyclohexanedione dioxime)- (sulfato-zinc(II))} semihydrate dimethylformamide solvate","catena-{(mu2-4,4^'^-bipyridyl)-(1,2-cyclohexanedione dioxime)- (sulfato-zinc(II))} semihydrate dimethylformamide solvate","","- C35 H45 N9 O14 S2 Zn2 -","- C35 H38 N9 O14 S2 Zn2 -","- C70 H76 N18 O28 S4 Zn4 -","2","0.5","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kravtsov, Victor Ch.; Fonari, Marina S.","Polymeric Zn(II) and Cd(II) Sulfates with Bipyridine and Dioxime Ligands: Supramolecular Isomerism, Chirality, and Luminescence","Crystal Growth & Design","2011","11","8","3536","","10.1021/cg200465f","","","0.71073","MoKα","","0.0486","0.04","","","0.0693","0.0748","","","","","","1.026","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500896","9.8002","0.0008","9.3425","0.0009","23.47","0.004","90","","91.317","0.011","90","","2148.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(mu2-1,2-bis(4-pyridyl)-ethane)- (1,2-cyclohexanedione dioxime)-(sulfato-zinc(II))","(mu2-1,2-bis(4-pyridyl)-ethane)- (1,2-cyclohexanedione dioxime)-(sulfato-zinc(II))","","- C18 H22 N4 O6 S Zn -","- C18 H22 N4 O6 S Zn -","- C72 H88 N16 O24 S4 Zn4 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kravtsov, Victor Ch.; Fonari, Marina S.","Polymeric Zn(II) and Cd(II) Sulfates with Bipyridine and Dioxime Ligands: Supramolecular Isomerism, Chirality, and Luminescence","Crystal Growth & Design","2011","11","8","3536","","10.1021/cg200465f","","","0.71073","MoKα","","0.1237","0.0769","","","0.1692","0.1832","","","","","","0.972","","","","has coordinates,has disorder","179539","2020-10-21","18:00:00",""
"4500897","9.5841","0.0003","10.0629","0.0003","23.0354","0.0009","90","","90","","90","","2221.62","0.13","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","catena-(mu2-1,2-bis(4-pyridyl)-ethane)- (1,2-cyclohexanedione dioxime)-(sulfato-cadmium(II))","catena-(mu2-1,2-bis(4-pyridyl)-ethane)- (1,2-cyclohexanedione dioxime)-(sulfato-cadmium(II))","","- C18 H22 Cd N4 O6 S -","- C18 H22 Cd N4 O6 S -","- C72 H88 Cd4 N16 O24 S4 -","4","1","","Croitor, Lilia; Coropceanu, Eduard B.; Siminel, Anatolii V.; Kravtsov, Victor Ch.; Fonari, Marina S.","Polymeric Zn(II) and Cd(II) Sulfates with Bipyridine and Dioxime Ligands: Supramolecular Isomerism, Chirality, and Luminescence","Crystal Growth & Design","2011","11","8","3536","","10.1021/cg200465f","","","0.71073","MoKα","","0.0669","0.0401","","","0.0637","0.0749","","","","","","0.991","","","","has coordinates,has disorder","179539","2020-10-21","18:00:00",""
"4500898","12.2897","0.0005","10.3757","0.0004","16.3811","0.0009","90","","125.598","0.003","90","","1698.47","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","methoxo-(4-methoxysalicylaldehyde-4-phenylthiosemicarbazonato(2-))- oxo-vanadium(V)","","- C16 H16 N3 O4 S V -","- C16 H16 N3 O4 S V -","- C64 H64 N12 O16 S4 V4 -","4","1","","Rubčić, Mirta; Milić, Dalibor; Pavlović, Gordana; Cindrić, Marina","Conformational Diversity of Thiosemicarbazonatovanadium(V) Complexes in the Solid State: From Polymorphism to Isostructurality","Crystal Growth & Design","2011","11","12","5227","","10.1021/cg200466b","","","0.71073","MoKα","","0.0694","0.0368","","","0.0757","0.0812","","","","","","0.886","","","","has coordinates","179539","2020-10-21","18:00:00",""
"4500899","7.2239","0.0011","9.693","0.002","13.592","0.003","87.323","0.018","86.732","0.015","71.447","0.017","900.4","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","ethoxo-(4-methoxysalicylaldehyde-4-phenylthiosemicarbazonato(2-))- oxo-vanadium(V)","","- C17 H18 N3 O4 S V -","- C17 H18 N3 O4 S V -","- C34 H36 N6 O8 S2 V2 -","2","1","","Rubčić, Mirta; Milić, Dalibor; Pavlović, Gordana; Cindrić, Marina","Conformational Diversity of Thiosemicarbazonatovanadium(V) Complexes in the Solid State: From Polymorphism to Isostructurality","Crystal Growth & Design","2011","11","12","5227","","10.1021/cg200466b","","","0.71073","MoKα","","0.1048","0.0534","","","0.1161","0.1303","","","","","","0.886","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500900","12.4255","0.0003","15.7746","0.0004","18.5559","0.0005","90","","96.51","0.002","90","","3613.64","0.16","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","ethoxo-(4-methoxysalicylaldehyde-4-phenylthiosemicarbazonato(2-))- oxo-vanadium(V)","","- C17 H18 N3 O4 S V -","- C17 H18 N3 O4 S V -","- C136 H144 N24 O32 S8 V8 -","8","2","","Rubčić, Mirta; Milić, Dalibor; Pavlović, Gordana; Cindrić, Marina","Conformational Diversity of Thiosemicarbazonatovanadium(V) Complexes in the Solid State: From Polymorphism to Isostructurality","Crystal Growth & Design","2011","11","12","5227","","10.1021/cg200466b","","","0.7107","MoKα","","0.0412","0.0279","","","0.0737","0.0765","","","","","","0.966","","","","has coordinates,has disorder","179540","2020-10-21","18:00:00",""
"4500901","12.3684","0.0003","15.9862","0.0004","19.1848","0.0005","90","","97.975","0.002","90","","3756.6","0.16","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","propoxo-(4-methoxysalicylaldehyde-4-phenylthiosemicarbazonato(2-))- oxo-vanadium(V)","","- C18 H20 N3 O4 S V -","- C18 H20 N3 O4 S V -","- C144 H160 N24 O32 S8 V8 -","8","2","","Rubčić, Mirta; Milić, Dalibor; Pavlović, Gordana; Cindrić, Marina","Conformational Diversity of Thiosemicarbazonatovanadium(V) Complexes in the Solid State: From Polymorphism to Isostructurality","Crystal Growth & Design","2011","11","12","5227","","10.1021/cg200466b","","","0.71073","MoKα","","0.0405","0.0284","","","0.0743","0.0772","","","","","","1.059","","","","has coordinates,has disorder","179540","2020-10-21","18:00:00",""
"4500902","9.7545","0.0011","12.9941","0.0014","30.452","0.003","88.183","0.008","80.838","0.009","89.875","0.009","3808.6","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","propoxo-(4-methoxysalicylaldehyde-4-phenylthiosemicarbazonato(2-))- oxo-vanadium(V)","","- C18 H20 N3 O4 S V -","- C18 H20 N3 O4 S V -","- C144 H160 N24 O32 S8 V8 -","8","4","","Rubčić, Mirta; Milić, Dalibor; Pavlović, Gordana; Cindrić, Marina","Conformational Diversity of Thiosemicarbazonatovanadium(V) Complexes in the Solid State: From Polymorphism to Isostructurality","Crystal Growth & Design","2011","11","12","5227","","10.1021/cg200466b","","","0.71073","MoKα","","0.1442","0.0827","","","0.195","0.2379","","","","","","0.985","","","","has coordinates,has disorder","179540","2020-10-21","18:00:00",""
"4500903","9.528","0.0004","10.0721","0.0004","10.5449","0.0003","95.344","0.003","110.811","0.004","95.371","0.004","933.06","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","1-{2-[(2-Hydroxy-4-methoxy-benzylidene)-hydrazono]-4-methyl-3-phenyl- -2,3-dihydro-thiazol-5-yl}-ethanone","","- C20 H19 N3 O3 S -","- C20 H19 N3 O3 S -","- C40 H38 N6 O6 S2 -","2","1","","Rubčić, Mirta; Milić, Dalibor; Pavlović, Gordana; Cindrić, Marina","Conformational Diversity of Thiosemicarbazonatovanadium(V) Complexes in the Solid State: From Polymorphism to Isostructurality","Crystal Growth & Design","2011","11","12","5227","","10.1021/cg200466b","","","0.71073","MoKα","","0.0922","0.0508","","","0.1175","0.1393","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500904","27.6739","0.0015","13.1598","0.0006","8.6462","0.0004","90","","95.435","0.003","90","","3134.6","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 Cu N2 O6 -","- C11 H13 Cu N2 O6 -","- C88 H104 Cu8 N16 O48 -","8","1","","Dey, Rajdip; Haldar, Ritesh; Maji, Tapas Kumar; Ghoshal, Debajyoti","Three-Dimensional Robust Porous Coordination Polymer with Schiff Base Site on the Pore Wall: Synthesis, Single-Crystal-to-Single-Crystal Reversibility, and Selective CO2Adsorption","Crystal Growth & Design","2011","11","9","3905","","10.1021/cg2004672","","","0.71073","MoKα","","0.0942","0.0503","","","0.1471","0.1877","","","","","","1.036","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500905","27.733","0.002","13.1588","0.0009","8.6333","0.0007","90","","95.217","0.006","90","","3137.5","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H11 Cu N2 O4 -","- C11 H11 Cu N2 O4 -","- C88 H88 Cu8 N16 O32 -","8","1","","Dey, Rajdip; Haldar, Ritesh; Maji, Tapas Kumar; Ghoshal, Debajyoti","Three-Dimensional Robust Porous Coordination Polymer with Schiff Base Site on the Pore Wall: Synthesis, Single-Crystal-to-Single-Crystal Reversibility, and Selective CO2Adsorption","Crystal Growth & Design","2011","11","9","3905","","10.1021/cg2004672","","","0.71073","MoKα","","0.1122","0.0811","","","0.2238","0.253","","","","","","1.067","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500906","27.633","0.005","13.153","0.005","8.641","0.005","90","","95.5","0.005","90","","3126","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 Cu N2 O6 -","- C11 H13 Cu N2 O6 -","- C88 H104 Cu8 N16 O48 -","8","1","","Dey, Rajdip; Haldar, Ritesh; Maji, Tapas Kumar; Ghoshal, Debajyoti","Three-Dimensional Robust Porous Coordination Polymer with Schiff Base Site on the Pore Wall: Synthesis, Single-Crystal-to-Single-Crystal Reversibility, and Selective CO2Adsorption","Crystal Growth & Design","2011","11","9","3905","","10.1021/cg2004672","","","0.71073","MoKα","","0.1134","0.0613","","","0.1658","0.1908","","","","","","1.05","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500907","11.6252","0.0005","7.101","0.0003","13.7442","0.0005","90","","106.871","0.003","90","","1085.76","0.08","153","2","153","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- B11 Li6 O22 Rb5 -","- B11 Li6 O22 Rb5 -","- B22 Li12 O44 Rb10 -","2","0.5","","Yang, Yun; Pan, Shilie; Han, Jian; Hou, Xueling; Zhou, Zhongxiang; Zhao, Wenwu; Chen, Zhaohui; Zhang, Min","A New Lithium Rubidium Borate Li6Rb5B11O22with Isolated B11O22Building Blocks","Crystal Growth & Design","2011","11","9","3912","","10.1021/cg200471b","","","0.71073","MoKα","","0.0371","0.0326","","","0.0624","0.0642","","","","","","0.951","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500908","17.3726","0.0007","17.3726","0.0007","10.0243","0.0008","90","","90","","120","","2620.1","0.3","298","0.2","298","0.2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C9 H3 N O9 Sr2 -","- C9 H3 N O9 Sr2 -","- C54 H18 N6 O54 Sr12 -","6","0.5","","Lee, Dong Woo; Jo, Vinna; Ok, Kang Min","Sr2[C6H3(CO2)3(NO3)]·DMF: One-Dimensional Nano-Channel in a New Non-Centrosymmetric Strontium‒Organic Framework with High Thermal Stability","Crystal Growth & Design","2011","11","7","2698","","10.1021/cg200503d","","","0.71073","MoKα","","0.0454","0.0419","","","0.1512","0.1523","","","","","","1.247","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4500909","5.955","0.004","9.929","0.009","19.717","0.005","90","","95.841","0.005","90","","1159.8","1.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 Cu N3 O5 -","- C9 H13 Cu N3 O5 -","- C36 H52 Cu4 N12 O20 -","4","1","","Seth, Saikat Kumar; Saha, Indranil; Estarellas, Carolina; Frontera, Antonio; Kar, Tanusree; Mukhopadhyay, Subrata","Supramolecular Self-Assembly of M-IDA Complexes Involving Lone-Pair···π Interactions: Crystal Structures, Hirshfeld Surface Analysis, and DFT Calculations [H2IDA = iminodiacetic acid, M = Cu(II), Ni(II)]","Crystal Growth & Design","2011","11","7","3250","","10.1021/cg200506q","","","0.71073","MoKα","","0.0412","0.0376","","","0.0973","0.0995","","","","","","1.062","","","","has coordinates,has disorder","179540","2020-10-21","18:00:00",""
"4500910","5.063","0.002","11.085","0.001","11.423","0.002","114.762","0.002","94.467","0.002","91.743","0.001","579","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H28 N6 Ni O10 -","- C18 H28 N6 Ni O10 -","- C18 H28 N6 Ni O10 -","1","0.5","","Seth, Saikat Kumar; Saha, Indranil; Estarellas, Carolina; Frontera, Antonio; Kar, Tanusree; Mukhopadhyay, Subrata","Supramolecular Self-Assembly of M-IDA Complexes Involving Lone-Pair···π Interactions: Crystal Structures, Hirshfeld Surface Analysis, and DFT Calculations [H2IDA = iminodiacetic acid, M = Cu(II), Ni(II)]","Crystal Growth & Design","2011","11","7","3250","","10.1021/cg200506q","","","0.71073","MoKα","","0.0836","0.0608","","","0.1587","0.1919","","","","","","1.216","","","","has coordinates,has disorder","179540","2020-10-21","18:00:00",""
"4500911","12.396","0.009","13.007","0.008","14.582","0.009","63.911","0.018","89.96","0.03","79.954","0.019","2072","2","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 N2 Ni4 O32 -","- C24 H24 N2 Ni4 O32 -","- C48 H48 N4 Ni8 O64 -","2","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Han, Dong; Feng, Rui; Hong, Mao-Chun","Construction of 5-Aminodiacetic Isophthalate Based Nickel(II) Complexes with Diverse Topologies through Modulating the Auxiliary Ligands","Crystal Growth & Design","2011","11","7","3273","","10.1021/cg200511q","","","0.71073","MoKα","","0.1","0.0711","","","0.171","0.1966","","","","","","1.062","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500912","15.3745","0.001","20.4521","0.0014","18.0331","0.0013","90","","93.104","0.004","90","","5662","0.7","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 N3 Ni1.5 O14.5 -","- C22 H16 N3 Ni1.5 O14.5 -","- C176 H128 N24 Ni12 O116 -","8","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Han, Dong; Feng, Rui; Hong, Mao-Chun","Construction of 5-Aminodiacetic Isophthalate Based Nickel(II) Complexes with Diverse Topologies through Modulating the Auxiliary Ligands","Crystal Growth & Design","2011","11","7","3273","","10.1021/cg200511q","","","0.71073","MoKα","","0.0788","0.0661","","","0.1985","0.2117","","","","","","1.078","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4500913","12.4225","0.0004","12.9981","0.0002","14.779","0.0001","64.384","0.008","80.885","0.012","79.562","0.012","2107.54","0.18","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H44 N3 Ni4 O30 -","- C29 H44 N3 Ni4 O30 -","- C58 H88 N6 Ni8 O60 -","2","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Han, Dong; Feng, Rui; Hong, Mao-Chun","Construction of 5-Aminodiacetic Isophthalate Based Nickel(II) Complexes with Diverse Topologies through Modulating the Auxiliary Ligands","Crystal Growth & Design","2011","11","7","3273","","10.1021/cg200511q","","","0.71073","MoKα","","0.0529","0.0452","","","0.1176","0.128","","","","","","1.069","","","","has coordinates,has disorder","179540","2020-10-21","18:00:00",""
"4500914","17.6574","0.0004","17.6574","0.0004","18.6518","0.0009","90","","90","","90","","5815.3","0.3","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C25 H21 N3 Ni2 O10.5 -","- C25 H21 N3 Ni2 O10.5 -","- C200 H168 N24 Ni16 O84 -","8","1","","Ma, Jie; Jiang, Fei-Long; Chen, Lian; Wu, Ming-Yan; Zhang, Shu-Quan; Han, Dong; Feng, Rui; Hong, Mao-Chun","Construction of 5-Aminodiacetic Isophthalate Based Nickel(II) Complexes with Diverse Topologies through Modulating the Auxiliary Ligands","Crystal Growth & Design","2011","11","7","3273","","10.1021/cg200511q","","","0.71073","MoKα","","0.051","0.0471","","","0.1336","0.1402","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500915","12.1207","0.0006","18.8019","0.0009","13.2832","0.0007","90","","91.632","0.001","90","","3025.9","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1","","","- C24 H34 N10 Na O7 S0.5 -","- C24 H34 N10 Na O7 S0.5 -","- C96 H136 N40 Na4 O28 S2 -","4","1","","Rajbanshi, Arbin; Moyer, Bruce A.; Custelcean, Radu","Sulfate Separation from Aqueous Alkaline Solutions by Selective Crystallization of Alkali Metal Coordination Capsules","Crystal Growth & Design","2011","11","7","2702","","10.1021/cg200515w","","","0.71073","MoKα","","0.0678","0.0513","","","0.1153","0.1248","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500916","11.9118","0.0007","18.5604","0.0011","12.836","0.0007","90","","91.64","0.001","90","","2836.7","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","2","","","- C24 H32 K N10 O6 S0.5 -","- C24 H32 K N10 O6 S0.5 -","- C96 H128 K4 N40 O24 S2 -","4","1","","Rajbanshi, Arbin; Moyer, Bruce A.; Custelcean, Radu","Sulfate Separation from Aqueous Alkaline Solutions by Selective Crystallization of Alkali Metal Coordination Capsules","Crystal Growth & Design","2011","11","7","2702","","10.1021/cg200515w","","","0.71073","MoKα","","0.0688","0.0471","","","0.1086","0.1198","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500917","8.4436","0.0005","12.2377","0.0008","13.6622","0.0008","95.355","0.001","100.076","0.001","105.052","0.001","1327.89","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","L1-2H2O","","","- C24 H34 N10 O5 -","- C24 H34 N10 O5 -","- C48 H68 N20 O10 -","2","1","","Rajbanshi, Arbin; Moyer, Bruce A.; Custelcean, Radu","Sulfate Separation from Aqueous Alkaline Solutions by Selective Crystallization of Alkali Metal Coordination Capsules","Crystal Growth & Design","2011","11","7","2702","","10.1021/cg200515w","","","0.71073","MoKα","","0.0855","0.0625","","","0.1286","0.1421","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500918","12.1305","0.0004","12.3277","0.0003","15.7747","0.0005","90","","106.318","0.004","90","","2263.94","0.13","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 Br8 N6 O4 -","- C38 H46 Br8 N6 O4 -","- C76 H92 Br16 N12 O8 -","2","0.5","","Lü, Jian; Han, Li-Wei; Lin, Jing-Xiang; Cao, Rong","Supramolecular Organic Frameworks of Brominated Bisphenol Derivatives with Organoamines","Crystal Growth & Design","2011","11","8","3551","","10.1021/cg200520w","","","0.71073","MoKα","","0.1522","0.0416","","","0.0595","0.067","","","","","","0.858","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500919","12.557","0.004","19.349","0.005","8.173","0.003","90","","97.837","0.004","90","","1967.2","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Br8 N2 O8 -","- C32 H38 Br8 N2 O8 -","- C64 H76 Br16 N4 O16 -","2","0.5","","Lü, Jian; Han, Li-Wei; Lin, Jing-Xiang; Cao, Rong","Supramolecular Organic Frameworks of Brominated Bisphenol Derivatives with Organoamines","Crystal Growth & Design","2011","11","8","3551","","10.1021/cg200520w","","","0.71073","MoKα","","0.0515","0.0425","","","0.0973","0.1023","","","","","","1.095","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500920","13.9298","0.0005","15.3719","0.0005","17.7673","0.0008","90","","105.553","0.004","90","","3665.2","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Br8 N2 O5 -","- C32 H30 Br8 N2 O5 -","- C128 H120 Br32 N8 O20 -","4","1","","Lü, Jian; Han, Li-Wei; Lin, Jing-Xiang; Cao, Rong","Supramolecular Organic Frameworks of Brominated Bisphenol Derivatives with Organoamines","Crystal Growth & Design","2011","11","8","3551","","10.1021/cg200520w","","","0.71073","MoKα","","0.109","0.0323","","","0.0689","0.091","","","","","","0.574","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500921","8.0454","0.0003","11.2431","0.0006","12.4087","0.0007","99.128","0.004","104.349","0.004","91.335","0.004","1071.34","0.1","571","2","571","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 Br4 N4 O2 -","- C19 H20 Br4 N4 O2 -","- C38 H40 Br8 N8 O4 -","2","1","","Lü, Jian; Han, Li-Wei; Lin, Jing-Xiang; Cao, Rong","Supramolecular Organic Frameworks of Brominated Bisphenol Derivatives with Organoamines","Crystal Growth & Design","2011","11","8","3551","","10.1021/cg200520w","","","0.71073","MoKα","","0.0685","0.0364","","","0.0698","0.0738","","","","","","0.902","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500922","7.3315","0.0004","11.6404","0.0008","14.9647","0.0011","103.659","0.006","102.636","0.005","90.701","0.005","1208.18","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 Br4 N4 O2 -","- C21 H24 Br4 N4 O2 -","- C42 H48 Br8 N8 O4 -","2","1","","Lü, Jian; Han, Li-Wei; Lin, Jing-Xiang; Cao, Rong","Supramolecular Organic Frameworks of Brominated Bisphenol Derivatives with Organoamines","Crystal Growth & Design","2011","11","8","3551","","10.1021/cg200520w","","","0.71073","MoKα","","0.1041","0.0452","","","0.0958","0.1054","","","","","","0.908","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500923","13.575","0.0019","16.7167","0.0019","18.585","0.003","64.667","0.004","81.375","0.006","72.956","0.006","3643","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24.667 Br4 N4 O2.333 -","- C21 H24.6667 Br4 N4 O2.33333 -","- C126 H148 Br24 N24 O14 -","6","3","","Lü, Jian; Han, Li-Wei; Lin, Jing-Xiang; Cao, Rong","Supramolecular Organic Frameworks of Brominated Bisphenol Derivatives with Organoamines","Crystal Growth & Design","2011","11","8","3551","3557","10.1021/cg200520w","","","0.71073","MoKα","","0.0653","0.0397","","","0.0774","0.084","","","","","","0.809","","","","has coordinates","211064","2020-10-21","18:00:00",""
"4500924","10.3963","0.0016","13.3282","0.0019","13.693","0.004","65.698","0.018","78.834","0.018","71.073","0.013","1631.7","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H58 Ag4 N30 O8 -","- C60 H58 Ag4 N30 O8 -","- C60 H58 Ag4 N30 O8 -","1","0.5","","Hao, Hong-Jun; Sun, Di; Li, Yun-Hua; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of Different Carboxylates on a Series of Ag(I) Coordination Compounds with Benzoguanamine Ligand","Crystal Growth & Design","2011","11","8","3564","","10.1021/cg200534x","","","0.71073","MoKα","","0.0329","0.0288","","","0.0834","0.0982","","","","","","1.176","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500925","10.553","0.002","13.529","0.003","14.104","0.003","107.6","0.03","104.36","0.03","110.89","0.03","1643.9","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H58 Ag4 N30 O8 -","- C62 H58 Ag4 N30 O8 -","- C62 H58 Ag4 N30 O8 -","1","0.5","","Hao, Hong-Jun; Sun, Di; Li, Yun-Hua; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of Different Carboxylates on a Series of Ag(I) Coordination Compounds with Benzoguanamine Ligand","Crystal Growth & Design","2011","11","8","3564","","10.1021/cg200534x","","","0.71073","MoKα","","0.0403","0.0288","","","0.068","0.0918","","","","","","0.907","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500926","12.864","0.003","14.555","0.003","11.752","0.002","90","","90","","90","","2200.4","0.8","173","2","173","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C22 H20 Ag N10 O2 -","- C22 H20 Ag N10 O2 -","- C88 H80 Ag4 N40 O8 -","4","0.5","","Hao, Hong-Jun; Sun, Di; Li, Yun-Hua; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of Different Carboxylates on a Series of Ag(I) Coordination Compounds with Benzoguanamine Ligand","Crystal Growth & Design","2011","11","8","3564","","10.1021/cg200534x","","","0.71073","MoKα","","0.1057","0.0841","","","0.2323","0.2595","","","","","","1.161","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500927","8.95","0.0018","9.3917","0.0019","10.029","0.002","71.54","0.03","68.88","0.03","74.74","0.03","735.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H17 Ag N5 O3 -","- C13 H17 Ag N5 O3 -","- C26 H34 Ag2 N10 O6 -","2","1","","Hao, Hong-Jun; Sun, Di; Li, Yun-Hua; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of Different Carboxylates on a Series of Ag(I) Coordination Compounds with Benzoguanamine Ligand","Crystal Growth & Design","2011","11","8","3564","","10.1021/cg200534x","","","0.71073","MoKα","","0.0399","0.0299","","","0.0771","0.1091","","","","","","1.133","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500928","20.9002","0.0009","7.5329","0.0003","19.6558","0.0007","90","","96.561","0.001","90","","3074.3","0.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H15 Ag N5 O3 -","- C14 H15 Ag N5 O3 -","- C112 H120 Ag8 N40 O24 -","8","1","","Hao, Hong-Jun; Sun, Di; Li, Yun-Hua; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of Different Carboxylates on a Series of Ag(I) Coordination Compounds with Benzoguanamine Ligand","Crystal Growth & Design","2011","11","8","3564","","10.1021/cg200534x","","","0.71073","MoKα","","0.0337","0.0293","","","0.0782","0.082","","","","","","0.843","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500929","21.698","0.004","7.4193","0.0015","19.443","0.004","90","","101.59","0.03","90","","3066.2","1.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H11 Ag N5 O4 -","- C12 H10.5 Ag N5 O4 -","- C96 H84 Ag8 N40 O32 -","8","1","","Hao, Hong-Jun; Sun, Di; Li, Yun-Hua; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of Different Carboxylates on a Series of Ag(I) Coordination Compounds with Benzoguanamine Ligand","Crystal Growth & Design","2011","11","8","3564","","10.1021/cg200534x","","","0.71073","MoKα","","0.0411","0.0378","","","0.1203","0.1415","","","","","","1.101","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500930","13.387","0.0014","32.4616","0.0016","10.381","0.002","90","0.002","118.94","0.002","90","0.002","3947.9","0.9","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C35 H31 Ag2 N15 O13 -","- C35 H31 Ag2 N15 O13 -","- C140 H124 Ag8 N60 O52 -","4","1","","Hao, Hong-Jun; Sun, Di; Li, Yun-Hua; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of Different Carboxylates on a Series of Ag(I) Coordination Compounds with Benzoguanamine Ligand","Crystal Growth & Design","2011","11","8","3564","","10.1021/cg200534x","","","0.71073","MoKα","","0.0277","0.0275","","","0.0701","0.0703","","","","","","0.979","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500931","9.6559","0.0007","11.2106","0.0009","12.0882","0.001","81.934","0.002","81.997","0.002","77.019","0.0019","1254.58","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 Ag2 N10 O5 -","- C23 H21 Ag2 N10 O5 -","- C46 H42 Ag4 N20 O10 -","2","1","","Hao, Hong-Jun; Sun, Di; Li, Yun-Hua; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Effect of Different Carboxylates on a Series of Ag(I) Coordination Compounds with Benzoguanamine Ligand","Crystal Growth & Design","2011","11","8","3564","","10.1021/cg200534x","","","0.71073","MoKα","","0.0789","0.0502","","","0.1295","0.1736","","","","","","1.153","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500932","26.9173","0.0003","22.13","0.0002","11.3881","0.0001","90","","90","","90","","6783.66","0.11","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C36 H58 N29 Na3 O43 U2 -","- C36 H56 N29 Na3 O43 U2 -","- C144 H224 N116 Na12 O172 U8 -","4","0.5","","Thuéry, Pierre","Uranyl‒Alkali Metal Ion Heterometallic Complexes with Cucurbit[6]uril and a Sulfonated Catechol","Crystal Growth & Design","2011","11","7","3282","","10.1021/cg2005375","","","0.71073","MoKα","","0.0512","0.0339","","","0.0971","0.1033","","","","","","1.053","","","","has coordinates,has disorder","179540","2020-10-21","18:00:00",""
"4500933","12.549","0.0004","16.2908","0.001","21.7839","0.0013","98.551","0.002","105.403","0.003","102.939","0.003","4080.4","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C39.5 H71.5 N24 Na1.5 O52 U6 -","- C39.5 H45.5 N24 Na1.5 O52 U6 -","- C79 H91 N48 Na3 O104 U12 -","2","1","","Thuéry, Pierre","Uranyl‒Alkali Metal Ion Heterometallic Complexes with Cucurbit[6]uril and a Sulfonated Catechol","Crystal Growth & Design","2011","11","7","3282","","10.1021/cg2005375","","","0.71073","MoKα","","0.0714","0.0569","","","0.1557","0.1625","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500934","27.3529","0.0013","27.3529","0.0013","12.2825","0.0005","90","","90","","120","","7958.4","0.6","150","2","150","2","","","","","","","","6","P -3","-P 3","147","","","","- C120 H153 K3 N75 O64.5 U3 -","- C120 H147 K3 N75 O64.5 U3 -","- C240 H294 K6 N150 O129 U6 -","2","0.333333","","Thuéry, Pierre","Uranyl‒Alkali Metal Ion Heterometallic Complexes with Cucurbit[6]uril and a Sulfonated Catechol","Crystal Growth & Design","2011","11","7","3282","","10.1021/cg2005375","","","0.71073","MoKα","","0.0606","0.0462","","","0.1161","0.1221","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500935","13.4555","0.0002","15.234","0.0002","17.7989","0.0003","69.0525","0.0005","89.3447","0.0005","88.9214","0.0011","3406.66","0.09","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H112 Cs4 N56 O84 U6 -","- C72 H100 Cs4 N56 O84 U6 -","- C72 H100 Cs4 N56 O84 U6 -","1","0.5","","Thuéry, Pierre","Uranyl‒Alkali Metal Ion Heterometallic Complexes with Cucurbit[6]uril and a Sulfonated Catechol","Crystal Growth & Design","2011","11","7","3282","","10.1021/cg2005375","","","0.71073","MoKα","","0.0519","0.0464","","","0.1356","0.1396","","","","","","1.032","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500936","15.1238","0.0002","21.4542","0.0005","26.8055","0.0006","90","","90","","90","","8697.6","0.3","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C48 H92 N25 Na3 O60 S4 U2 -","- C48 H86 N25 Na3 O60 S4 U2 -","- C192 H344 N100 Na12 O240 S16 U8 -","4","1","","Thuéry, Pierre","Uranyl‒Alkali Metal Ion Heterometallic Complexes with Cucurbit[6]uril and a Sulfonated Catechol","Crystal Growth & Design","2011","11","7","3282","","10.1021/cg2005375","","","0.71073","MoKα","","0.0415","0.0327","","","0.0714","0.0736","","","","","","1.032","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500937","15.4467","0.0005","15.8288","0.0003","16.1585","0.0005","90","","113.284","0.002","90","","3629.03","0.18","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H66 N24 Na2 O44 S4 U2 -","- C48 H66 N24 Na2 O44 S4 U2 -","- C96 H132 N48 Na4 O88 S8 U4 -","2","0.5","","Thuéry, Pierre","Uranyl‒Alkali Metal Ion Heterometallic Complexes with Cucurbit[6]uril and a Sulfonated Catechol","Crystal Growth & Design","2011","11","7","3282","","10.1021/cg2005375","","","0.71073","MoKα","","0.038","0.0262","","","0.0607","0.0636","","","","","","0.995","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500938","15.4882","0.0004","16.1531","0.0005","16.2434","0.0004","90","","113.876","0.002","90","","3716.05","0.18","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H66 K2 N24 O44 S4 U2 -","- C48 H66 K2 N24 O44 S4 U2 -","- C96 H132 K4 N48 O88 S8 U4 -","2","0.5","","Thuéry, Pierre","Uranyl‒Alkali Metal Ion Heterometallic Complexes with Cucurbit[6]uril and a Sulfonated Catechol","Crystal Growth & Design","2011","11","7","3282","","10.1021/cg2005375","","","0.71073","MoKα","","0.0332","0.0245","","","0.0603","0.0624","","","","","","1.049","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500939","24.7397","0.0002","7.5123","0.0001","14.976","0.0002","90","","90.949","0.001","90","","2782.94","0.06","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-amino-4,6-dimethylpyrimidine-2-methylbenzoic acid","","- C14 H17 N3 O2 -","- C14 H17 N3 O2 -","- C112 H136 N24 O16 -","8","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.1213","0.056","","","0.1484","0.1779","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500940","26.9424","0.0012","7.3192","0.0003","14.3603","0.0006","90","","92.473","0.004","90","","2829.2","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-amino-4,6-dimethylpyrimidine-3-methylbenzoic acid","","- C14 H17 N3 O2 -","- C14 H17 N3 O2 -","- C112 H136 N24 O16 -","8","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.1035","0.0598","","","0.1814","0.2134","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500941","26.6684","0.0004","7.3762","0.0001","14.249","0.0002","90","","99.869","0.002","90","","2761.46","0.07","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-amino-4-chloro-6-methylpyrimidine-4-chlorobenzoic acid","","- C12 H11 Cl2 N3 O2 -","- C12 H11 Cl2 N3 O2 -","- C96 H88 Cl16 N24 O16 -","8","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.0926","0.0484","","","0.1283","0.1522","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500942","26.502","0.0004","7.4361","0.0001","14.3922","0.0002","90","","98.915","0.001","90","","2802.03","0.07","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-amino-4,6-dimethylpyrimidine-4-chlorobenzoic acid","","- C13 H14 Cl N3 O2 -","- C13 H14 Cl N3 O2 -","- C104 H112 Cl8 N24 O16 -","8","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.0637","0.0471","","","0.133","0.1473","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500943","7.5335","0.0013","8.1173","0.0012","21.321","0.002","90","","103.213","0.006","90","","1269.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-4-chloro-6-methylpyrimidine-benzoic acid","","- C12 H12 Cl N3 O2 -","- C12 H12 Cl N3 O2 -","- C48 H48 Cl4 N12 O8 -","4","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.0688","0.0482","","","0.1481","0.1668","","","","","","1.088","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500944","7.526","0.005","8.809","0.005","21.362","0.005","90","","102.732","0.015","90","","1381.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-4-chloro-6-methylpyrimidine-3-methylbenzoic acid","","- C13 H14 Cl N3 O2 -","- C13 H14 Cl N3 O2 -","- C52 H56 Cl4 N12 O8 -","4","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.1208","0.0613","","","0.1443","0.1741","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500945","7.851","0.0001","24.191","0.0004","8.3116","0.0001","90","","120.591","0.001","90","","1358.87","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-4,6-dimethylpyrimidine-2-chlorobenzoic acid","","- C13 H14 Cl N3 O2 -","- C13 H14 Cl N3 O2 -","- C52 H56 Cl4 N12 O8 -","4","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.0785","0.0481","","","0.1295","0.1467","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500946","7.7594","0.0003","24.3335","0.0007","8.2817","0.0003","90","","120.61","0.003","90","","1345.8","0.09","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-4-chloro-6-methylpyrimidine-2-chlorobenzoic acid","","- C12 H11 Cl2 N3 O2 -","- C12 H11 Cl2 N3 O2 -","- C48 H44 Cl8 N12 O8 -","4","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.0883","0.0509","","","0.1333","0.1535","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500947","7.9118","0.0001","24.0539","0.0004","8.2112","0.0001","90","","119.926","0.001","90","","1354.32","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-4-chloro-6-methylpyrimidine-2-methylbenzoic acid","","- C13 H14 Cl N3 O2 -","- C13 H14 Cl N3 O2 -","- C52 H56 Cl4 N12 O8 -","4","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.0719","0.0486","","","0.1409","0.156","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500948","6.8705","0.0012","7.4812","0.0014","13.716","0.002","81.763","0.009","80.563","0.009","84.009","0.009","685.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-amino-4,6-dimethylpyrimidine-4-nitrobenzoic acid","","- C13 H14 N4 O4 -","- C13 H14 N4 O4 -","- C26 H28 N8 O8 -","2","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.0676","0.047","","","0.1256","0.1385","","","","","","1.056","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500949","6.9797","0.0004","7.3469","0.0004","13.7131","0.0007","80.291","0.003","78.448","0.003","85.491","0.003","678.35","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-amino-4-chloro-6-methylpyrimidine-4-nitrobenzoic acid","","- C12 H11 Cl N4 O4 -","- C12 H11 Cl N4 O4 -","- C24 H22 Cl2 N8 O8 -","2","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.0706","0.0514","","","0.1422","0.16","","","","","","1.066","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500950","6.9651","0.0001","7.5279","0.0002","13.2985","0.0003","94.254","0.001","92.751","0.001","98.482","0.001","686.52","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-amino-4,6-dimethylpyrimidine-3-nitrobenzoic acid","","- C13 H14 N4 O4 -","- C13 H14 N4 O4 -","- C26 H28 N8 O8 -","2","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.0657","0.05","","","0.1496","0.1666","","","","","","1.071","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500951","11.1623","0.0005","7.4613","0.0003","17.0269","0.0008","90","","93.404","0.003","90","","1415.59","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-4-chloro-6-methylpyrimidinephthalic acid","","- C13 H12 Cl N3 O4 -","- C13 H12 Cl N3 O4 -","- C52 H48 Cl4 N12 O16 -","4","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.0764","0.0547","","","0.1463","0.1648","","","","","","1.042","","","","has coordinates,has disorder","179540","2020-10-21","18:00:00",""
"4500952","6.0521","0.0012","7.965","0.0016","30.415","0.005","90","","97.137","0.011","90","","1454.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-4-chloro-6-methylpyrimidinecinnamic acid","","- C14 H14 Cl N3 O2 -","- C14 H14 Cl N3 O2 -","- C56 H56 Cl4 N12 O8 -","4","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.0897","0.0517","","","0.1662","0.1991","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500953","9.8924","0.0003","15.0036","0.0004","11.3404","0.0004","90","","121.196","0.002","90","","1439.78","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-4-chloro-6-methylpyrimidine-3-nitrobenzoic acid","","- C12 H11 Cl N4 O4 -","- C12 H11 Cl N4 O4 -","- C48 H44 Cl4 N16 O16 -","4","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.0567","0.0426","","","0.1216","0.1363","","","","","","1.054","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500954","7.5499","0.0001","8.9221","0.0001","11.1715","0.0002","104.4","0.001","99.632","0.001","94.909","0.001","712.204","0.018","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2-amino-4-chloro-6-methylpyrimidine-anisic acid","","- C13 H14 Cl N3 O3 -","- C13 H14 Cl N3 O3 -","- C26 H28 Cl2 N6 O6 -","2","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.0902","0.0486","","","0.1445","0.1737","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500955","8.6811","0.0001","11.5513","0.0002","11.5896","0.0002","87.227","0.001","77.166","0.001","81.834","0.001","1121.49","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-amino-4,6-dimethylpyrimidine-cinnamic acid (1/2)","","- C24 H25 N3 O4 -","- C24 H25 N3 O4 -","- C48 H50 N6 O8 -","2","1","","Ebenezer, Samuel; Muthiah, P. Thomas; Butcher, Ray J.","Design of a Series of Isostructural Co-Crystals with Aminopyrimidines: Isostructurality through Chloro/Methyl Exchange and Studies on Supramolecular Architectures","Crystal Growth & Design","2011","11","8","3579","","10.1021/cg200539a","","","0.71073","MoKα","","0.1042","0.0492","","","0.127","0.1525","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500956","7.094","0.0008","7.6307","0.0008","10.9005","0.0012","70.738","0.002","83.647","0.002","65.339","0.002","505.98","0.1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C4 H8 O2 -","- C4 H8 O2 -","- C16 H32 O8 -","4","2","","Yakovenko, Andrey A.; Gallegos, Jose H.; Antipin, Mikhail Yu.; Masunov, Artem; Timofeeva, Tatiana V.","Crystal Morphology as an Evidence of Supramolecular Organization in Adducts of 1,2-Bis(chloromercurio)tetrafluorobenzene with Organic Esters","Crystal Growth & Design","2011","11","9","3964","","10.1021/cg200547k","","","0.71073","MoKα","","0.0372","0.0349","","","0.0759","0.0772","","","","","","1.002","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500957","20.9055","0.0009","13.4391","0.0006","9.3136","0.0004","90","","90","","90","","2616.7","0.2","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C5 H10 O3 -","- C5 H10 O3 -","- C80 H160 O48 -","16","4","","Yakovenko, Andrey A.; Gallegos, Jose H.; Antipin, Mikhail Yu.; Masunov, Artem; Timofeeva, Tatiana V.","Crystal Morphology as an Evidence of Supramolecular Organization in Adducts of 1,2-Bis(chloromercurio)tetrafluorobenzene with Organic Esters","Crystal Growth & Design","2011","11","9","3964","","10.1021/cg200547k","","","0.71073","MoKα","","0.0282","0.0245","","","0.0566","0.0584","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500958","13.787","0.003","5.9735","0.0011","16.925","0.003","90","","90","","90","","1393.9","0.5","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C8 H8 O2 -","- C8 H8 O2 -","- C64 H64 O16 -","8","1","","Yakovenko, Andrey A.; Gallegos, Jose H.; Antipin, Mikhail Yu.; Masunov, Artem; Timofeeva, Tatiana V.","Crystal Morphology as an Evidence of Supramolecular Organization in Adducts of 1,2-Bis(chloromercurio)tetrafluorobenzene with Organic Esters","Crystal Growth & Design","2011","11","9","3964","","10.1021/cg200547k","","","0.71073","MoKα","","0.0446","0.0379","","","0.0849","0.0894","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500959","5.8124","0.0004","7.532","0.0005","16.655","0.0011","90","","90","","90","","729.14","0.08","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 O2 -","- C8 H8 O2 -","- C32 H32 O8 -","4","1","","Yakovenko, Andrey A.; Gallegos, Jose H.; Antipin, Mikhail Yu.; Masunov, Artem; Timofeeva, Tatiana V.","Crystal Morphology as an Evidence of Supramolecular Organization in Adducts of 1,2-Bis(chloromercurio)tetrafluorobenzene with Organic Esters","Crystal Growth & Design","2011","11","9","3964","","10.1021/cg200547k","","","0.71073","MoKα","","0.0272","0.0264","","","0.064","0.0647","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500960","7.2","0.004","10.03","0.005","11.485","0.006","69.285","0.007","88.979","0.008","72.307","0.007","735.3","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Cl2 F4 Hg2 O2 -","- C10 H8 Cl2 F4 Hg2 O2 -","- C20 H16 Cl4 F8 Hg4 O4 -","2","1","","Yakovenko, Andrey A.; Gallegos, Jose H.; Antipin, Mikhail Yu.; Masunov, Artem; Timofeeva, Tatiana V.","Crystal Morphology as an Evidence of Supramolecular Organization in Adducts of 1,2-Bis(chloromercurio)tetrafluorobenzene with Organic Esters","Crystal Growth & Design","2011","11","9","3964","","10.1021/cg200547k","","","0.71073","MoKα","","0.0416","0.0335","","","0.075","0.0768","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500961","20.4533","0.0013","7.3948","0.0005","26.5695","0.0018","90","","91.684","0.001","90","","4016.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H10 Cl4 F8 Hg4 O3 -","- C17 H10 Cl4 F8 Hg4 O3 -","- C102 H60 Cl24 F48 Hg24 O18 -","6","1.5","","Yakovenko, Andrey A.; Gallegos, Jose H.; Antipin, Mikhail Yu.; Masunov, Artem; Timofeeva, Tatiana V.","Crystal Morphology as an Evidence of Supramolecular Organization in Adducts of 1,2-Bis(chloromercurio)tetrafluorobenzene with Organic Esters","Crystal Growth & Design","2011","11","9","3964","","10.1021/cg200547k","","","0.71073","MoKα","","0.0621","0.0416","","","0.0867","0.0947","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500962","16.4902","0.0018","15.8412","0.0017","6.7903","0.0007","90","","111.642","0.001","90","","1648.8","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C14 H8 Cl2 F4 Hg2 O2 -","- C14 H8 Cl2 F4 Hg2 O2 -","- C56 H32 Cl8 F16 Hg8 O8 -","4","1","","Yakovenko, Andrey A.; Gallegos, Jose H.; Antipin, Mikhail Yu.; Masunov, Artem; Timofeeva, Tatiana V.","Crystal Morphology as an Evidence of Supramolecular Organization in Adducts of 1,2-Bis(chloromercurio)tetrafluorobenzene with Organic Esters","Crystal Growth & Design","2011","11","9","3964","","10.1021/cg200547k","","","0.71073","MoKα","","0.0291","0.0261","","","0.0558","0.0571","","","","","","1.026","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500963","7.024","0.005","7.837","0.005","31.1","0.02","88.446","0.007","88.373","0.006","89.507","0.007","1711","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H8 Cl2 F4 Hg2 O2 -","- C14 H8 Cl2 F4 Hg2 O2 -","- C56 H32 Cl8 F16 Hg8 O8 -","4","2","","Yakovenko, Andrey A.; Gallegos, Jose H.; Antipin, Mikhail Yu.; Masunov, Artem; Timofeeva, Tatiana V.","Crystal Morphology as an Evidence of Supramolecular Organization in Adducts of 1,2-Bis(chloromercurio)tetrafluorobenzene with Organic Esters","Crystal Growth & Design","2011","11","9","3964","","10.1021/cg200547k","","","0.71073","MoKα","","0.1586","0.1385","","","0.3005","0.3109","","","","","","1.054","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500964","15.775","0.005","9.796","0.002","20.695","0.005","90","","94.896","0.011","90","","3186.4","1.4","223.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C42 H31 O4 -","- C42 H31 O4 -","- C168 H124 O16 -","4","1","","Kasugai, Kenta; Hashimoto, Suzumi; Imai, Kazunori; Sakon, Aya; Fujii, Kotaro; Uekusa, Hidehiro; Hayashi, Naoto; Kobayashi, Keiji","Supramolecular Networks in Crystalline Inclusion Complexes Formed from a New Host: 2,2-Bis(4-hydroxy-3-phenylphenyl)-1H-indene-1,3(2H)-dione","Crystal Growth & Design","2011","11","9","4044","","10.1021/cg200554f","","","0.71075","MoKα","","","0.0431","","","","0.0107","","","","","","0.943","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500965","9.3881","0.0019","26.515","0.006","11.103","0.003","90","","97.768","0.01","90","","2738.5","1.1","223.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H24 Cl2 O4 -","- C34 H24 Cl2 O4 -","- C136 H96 Cl8 O16 -","4","2","","Kasugai, Kenta; Hashimoto, Suzumi; Imai, Kazunori; Sakon, Aya; Fujii, Kotaro; Uekusa, Hidehiro; Hayashi, Naoto; Kobayashi, Keiji","Supramolecular Networks in Crystalline Inclusion Complexes Formed from a New Host: 2,2-Bis(4-hydroxy-3-phenylphenyl)-1H-indene-1,3(2H)-dione","Crystal Growth & Design","2011","11","9","4044","","10.1021/cg200554f","","","0.71075","MoKα","","","0.0604","","","","0.0985","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500966","9.343","0.004","11.137","0.006","14.234","0.006","112.231","0.018","96.642","0.014","98.164","0.019","1333.7","1.1","223.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C35 H28 O5 -","- C35 H28 O5 -","- C70 H56 O10 -","2","1","","Kasugai, Kenta; Hashimoto, Suzumi; Imai, Kazunori; Sakon, Aya; Fujii, Kotaro; Uekusa, Hidehiro; Hayashi, Naoto; Kobayashi, Keiji","Supramolecular Networks in Crystalline Inclusion Complexes Formed from a New Host: 2,2-Bis(4-hydroxy-3-phenylphenyl)-1H-indene-1,3(2H)-dione","Crystal Growth & Design","2011","11","9","4044","","10.1021/cg200554f","","","0.71075","MoKα","","","0.0658","","","","0.2158","","","","","","1.002","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500967","21.60117","0.00018","12.83936","0.00012","8.86864","0.00006","90","","90","","90","","2459.67","0.04","","","293","","","","101.3","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C33 H22 O4 -","- C33 H22 O4 -","- C132 H88 O16 -","4","1","","Kasugai, Kenta; Hashimoto, Suzumi; Imai, Kazunori; Sakon, Aya; Fujii, Kotaro; Uekusa, Hidehiro; Hayashi, Naoto; Kobayashi, Keiji","Supramolecular Networks in Crystalline Inclusion Complexes Formed from a New Host: 2,2-Bis(4-hydroxy-3-phenylphenyl)-1H-indene-1,3(2H)-dione","Crystal Growth & Design","2011","11","9","4044","","10.1021/cg200554f","powder diffraction","x-ray","1.1961","synchrotron","","","","","","","","0.05861","","1.78","","","","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500968","10.846","0.002","13.732","0.003","14.625","0.003","63.47","0.03","86.17","0.03","70.77","0.03","1831.8","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H60 N14 O20 Pr2 S4 -","- C66 H60 N14 O20 Pr2 S4 -","- C66 H60 N14 O20 Pr2 S4 -","1","0.5","","Lu, Huijie; Zhu, Yanyan; Chen, Nan; Gao, Yongchao; Guo, Xiaofang; Li, Gang; Tang, Mingsheng","Ligand-Directed Assembly of a Series of Complexes Bearing Thiourea-Based Carboxylates","Crystal Growth & Design","2011","11","12","5241","","10.1021/cg200564d","","","0.71073","MoKα","","0.0514","0.0426","","","0.0932","0.1101","","","","","","1.123","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500969","11.081","0.002","13.384","0.003","14.003","0.003","64.73","0.03","77.09","0.03","79.67","0.03","1822.2","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H56 N14 Nd2 O19 S4 -","- C65 H56 N14 Nd2 O19 S4 -","- C65 H56 N14 Nd2 O19 S4 -","1","0.5","","Lu, Huijie; Zhu, Yanyan; Chen, Nan; Gao, Yongchao; Guo, Xiaofang; Li, Gang; Tang, Mingsheng","Ligand-Directed Assembly of a Series of Complexes Bearing Thiourea-Based Carboxylates","Crystal Growth & Design","2011","11","12","5241","","10.1021/cg200564d","","","0.71073","MoKα","","0.0659","0.0537","","","0.1455","0.1643","","","","","","1.022","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500970","10.865","0.002","13.541","0.003","14.535","0.003","63.62","0.03","86.44","0.03","70.7","0.03","1799","0.9","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C66 H60 Ho2 N14 O20 S4 -","- C66 H60 Ho2 N14 O20 S4 -","- C66 H60 Ho2 N14 O20 S4 -","1","0.5","","Lu, Huijie; Zhu, Yanyan; Chen, Nan; Gao, Yongchao; Guo, Xiaofang; Li, Gang; Tang, Mingsheng","Ligand-Directed Assembly of a Series of Complexes Bearing Thiourea-Based Carboxylates","Crystal Growth & Design","2011","11","12","5241","","10.1021/cg200564d","","","0.71073","MoKα","","0.0409","0.0315","","","0.0642","0.0674","","","","","","1.005","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500971","14.868","0.006","16.93","0.007","22.725","0.01","90","","99.218","0.005","90","","5646","4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H64 Cu12 N12 O28 S6 -","- C66 H54 Cu12 N12 O28 S6 -","- C132 H108 Cu24 N24 O56 S12 -","2","0.5","","Lu, Huijie; Zhu, Yanyan; Chen, Nan; Gao, Yongchao; Guo, Xiaofang; Li, Gang; Tang, Mingsheng","Ligand-Directed Assembly of a Series of Complexes Bearing Thiourea-Based Carboxylates","Crystal Growth & Design","2011","11","12","5241","","10.1021/cg200564d","","","0.71073","MoKα","","0.1577","0.0713","","","0.1736","0.1905","","","","","","1.024","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500972","11.199","0.0007","11.199","0.0007","26.231","0.004","90","","90","","120","","2849.1","0.5","296","2","296","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C34 H34 Cu3 N4 O10 S2 -","- C34 H34 Cu3 N4 O10 S2 -","- C102 H102 Cu9 N12 O30 S6 -","3","0.5","","Lu, Huijie; Zhu, Yanyan; Chen, Nan; Gao, Yongchao; Guo, Xiaofang; Li, Gang; Tang, Mingsheng","Ligand-Directed Assembly of a Series of Complexes Bearing Thiourea-Based Carboxylates","Crystal Growth & Design","2011","11","12","5241","","10.1021/cg200564d","","","0.71073","MoKα","","0.0369","0.028","","","0.0414","0.0426","","","","","","1.061","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500973","7.7286","0.0004","10.0328","0.0006","13.4998","0.0008","90","","90","","90","","1046.77","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 Ag N4 O4 P -","- C6 H12 Ag N4 O4 P -","- C24 H48 Ag4 N16 O16 P4 -","4","1","","Kirillov, Alexander M.; Wieczorek, Sabina W.; Lis, Agnieszka; Guedes da Silva, M. Fátima C.; Florek, Magdalena; Król, Jarosław; Staroniewicz, Zdzisław; Smoleński, Piotr; Pombeiro, Armando J. L.","1,3,5-Triaza-7-phosphaadamantane-7-oxide (PTA═O): New Diamondoid Building Block for Design of Three-Dimensional Metal‒Organic Frameworks","Crystal Growth & Design","2011","11","7","2711","","10.1021/cg200571y","","","0.71073","MoKα","","0.0169","0.0165","","","0.048","0.0481","","","","","","1.166","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500974","16.6597","0.0007","10.3551","0.0004","6.9008","0.0003","90","","90","","90","","1190.48","0.09","296","2","296","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C6 H14 Ag2 N3 O6 P S -","- C6 H14 Ag2 N3 O6 P S -","- C24 H56 Ag8 N12 O24 P4 S4 -","4","1","","Kirillov, Alexander M.; Wieczorek, Sabina W.; Lis, Agnieszka; Guedes da Silva, M. Fátima C.; Florek, Magdalena; Król, Jarosław; Staroniewicz, Zdzisław; Smoleński, Piotr; Pombeiro, Armando J. L.","1,3,5-Triaza-7-phosphaadamantane-7-oxide (PTA═O): New Diamondoid Building Block for Design of Three-Dimensional Metal‒Organic Frameworks","Crystal Growth & Design","2011","11","7","2711","","10.1021/cg200571y","","","0.71073","MoKα","","0.0193","0.0188","","","0.0465","0.0468","","","","","","0.956","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500975","3.9","0.001","20.07","0.004","14.489","0.003","90","","97.58","0.03","90","","1124.2","0.4","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","phenanthridine fumaric acid 2:1","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C60 H44 N4 O8 -","4","1","","Orola, Liana; Veidis, Mikelis V.; Mutikainen, Ilpo; Sarcevica, Inese","Neutral and Ionic Supramolecular Complexes of Phenanthridine and Some Common Dicarboxylic Acids: Hydrogen Bond and Melting Point Considerations","Crystal Growth & Design","2011","11","9","4009","","10.1021/cg200573m","","","0.71073","MoKα","","0.1024","0.0462","","0.1681","0.1088","0.1088","","","","","","0.9876","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500976","11.299","0.002","13.591","0.003","15.293","0.003","78.55","0.03","75.83","0.03","75.89","0.03","2184.1","0.9","173","","173","","","","","","","","","4","P -1","-P 1","2","","phenanthridine fumaric acid 4:1.5","","- C58 H42 N4 O6 -","- C58 H42 N4 O6 -","- C116 H84 N8 O12 -","2","1","","Orola, Liana; Veidis, Mikelis V.; Mutikainen, Ilpo; Sarcevica, Inese","Neutral and Ionic Supramolecular Complexes of Phenanthridine and Some Common Dicarboxylic Acids: Hydrogen Bond and Melting Point Considerations","Crystal Growth & Design","2011","11","9","4009","","10.1021/cg200573m","","","0.71073","MoKα","","0.1284","0.0609","","0.1896","0.1506","0.1536","","","","","","1.0412","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500977","4.901","0.001","17.21","0.003","13.989","0.003","90","","90.9","0.03","90","","1179.8","0.4","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","phenanthridine succinic acid 2:1","","- C15 H12 N O2 -","- C15 H12 N O2 -","- C60 H48 N4 O8 -","4","1","","Orola, Liana; Veidis, Mikelis V.; Mutikainen, Ilpo; Sarcevica, Inese","Neutral and Ionic Supramolecular Complexes of Phenanthridine and Some Common Dicarboxylic Acids: Hydrogen Bond and Melting Point Considerations","Crystal Growth & Design","2011","11","9","4009","","10.1021/cg200573m","","","0.7107","MoKα","","0.0806","0.0375","","0.1308","0.099","0.0962","","","","","","1.0653","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500978","11.915","0.002","3.8719","0.0008","17.285","0.004","90","","91.79","0.03","90","","797","0.3","173","","173","","","","","","","","","4","P 1 c 1","P -2yc","7","","phenanthridine isophthalic acid 1:1","","- C21 H15 N O4 -","- C21 H15 N O4 -","- C42 H30 N2 O8 -","2","1","","Orola, Liana; Veidis, Mikelis V.; Mutikainen, Ilpo; Sarcevica, Inese","Neutral and Ionic Supramolecular Complexes of Phenanthridine and Some Common Dicarboxylic Acids: Hydrogen Bond and Melting Point Considerations","Crystal Growth & Design","2011","11","9","4009","","10.1021/cg200573m","","","0.71073","MoKα","","0.0625","0.0437","","0.117","0.1056","0.112","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4500979","5.712","0.001","8.131","0.002","14.943","0.003","90","","93.42","0.03","90","","692.8","0.3","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","phenanthridinium maleate","","- C17 H13 N O4 -","- C17 H13 N O4 -","- C34 H26 N2 O8 -","2","1","","Orola, Liana; Veidis, Mikelis V.; Mutikainen, Ilpo; Sarcevica, Inese","Neutral and Ionic Supramolecular Complexes of Phenanthridine and Some Common Dicarboxylic Acids: Hydrogen Bond and Melting Point Considerations","Crystal Growth & Design","2011","11","9","4009","","10.1021/cg200573m","","","0.71073","MoKα","","0.0452","0.0342","","0.0891","0.0851","0.0829","","","","","","1.0103","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500980","5.584","0.001","10.23","0.002","10.962","0.002","75.17","0.03","84.53","0.03","86.35","0.03","602.1","0.2","173","","173","","","","","","","","","4","P -1","-P 1","2","","phenanthridinium oxalate","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C30 H22 N2 O8 -","2","1","","Orola, Liana; Veidis, Mikelis V.; Mutikainen, Ilpo; Sarcevica, Inese","Neutral and Ionic Supramolecular Complexes of Phenanthridine and Some Common Dicarboxylic Acids: Hydrogen Bond and Melting Point Considerations","Crystal Growth & Design","2011","11","9","4009","","10.1021/cg200573m","","","0.71073","MoKα","","0.0889","0.0448","","0.1378","0.106","0.1011","","","","","","1.0248","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500981","7.557","0.002","9.469","0.002","18.562","0.004","90","","95.51","0.03","90","","1322.1","0.5","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","phenanthridinium oxalate monohydrate","","- C15 H13 N O5 -","- C15 H13 N O5 -","- C60 H52 N4 O20 -","4","1","","Orola, Liana; Veidis, Mikelis V.; Mutikainen, Ilpo; Sarcevica, Inese","Neutral and Ionic Supramolecular Complexes of Phenanthridine and Some Common Dicarboxylic Acids: Hydrogen Bond and Melting Point Considerations","Crystal Growth & Design","2011","11","9","4009","","10.1021/cg200573m","","","0.7107","MoKα","","0.0803","0.0384","","0.0925","0.0772","0.0772","","","","","","1.0274","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4500982","21.6735","0.0005","21.6735","0.0005","21.6735","0.0005","90","","90","","90","","10180.9","0.4","150","2","150","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C30 H23 N3 Ni3 O15 -","- C30 H19 N3 Ni3 O14.99 -","- C240 H152 N24 Ni24 O119.92 -","8","0.166667","","Jiang, Guiyuan; Wu, Tao; Zheng, Shou-Tian; Zhao, Xiang; Lin, Qipu; Bu, Xianhui; Feng, Pingyun","A Nine-Connected Mixed-Ligand Nickel-Organic Framework and Its Gas Sorption Properties","Crystal Growth & Design","2011","11","9","3713","","10.1021/cg200579j","","","0.71073","MoKα","","0.0587","0.0521","","","0.1635","0.1738","","","","","","1.137","","","","has coordinates,has disorder","179540","2020-10-21","18:00:00",""
"4500983","18.1284","0.0007","8.8472","0.0003","26.6561","0.0009","90","","108.349","0.004","90","","4057.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C82 H74 Co4 N8 O29 -","- C82 H72 Co4 N8 O29 -","- C164 H144 Co8 N16 O58 -","2","0.25","","Guo, Jiao; Ma, Jian-Fang; Liu, Bo; Kan, Wei-Qiu; Yang, Jin","A Series of 2D and 3D Metal‒Organic Frameworks Based on a Flexible Tetrakis(4-pyridyloxymethylene)methane Ligand and Polycarboxylates: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2011","11","8","3609","","10.1021/cg200581w","","","0.71073","MoKα","","0.0581","0.0291","","","0.0376","0.0397","","","","","","0.725","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500984","9.9686","0.0012","9.3686","0.0007","24.551","0.003","90","","90.215","0.011","90","","2292.8","0.4","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C41 H39 N4 Ni2 O18 -","- C41 H30.994 N4 Ni2 O18 -","- C82 H61.988 N8 Ni4 O36 -","2","0.5","","Guo, Jiao; Ma, Jian-Fang; Liu, Bo; Kan, Wei-Qiu; Yang, Jin","A Series of 2D and 3D Metal‒Organic Frameworks Based on a Flexible Tetrakis(4-pyridyloxymethylene)methane Ligand and Polycarboxylates: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2011","11","8","3609","","10.1021/cg200581w","","","0.71073","MoKα","","0.1362","0.0598","","","0.1305","0.1442","","","","","","0.81","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4500985","10.1977","0.0008","9.3925","0.0007","24.4616","0.0017","90","","91.926","0.007","90","","2341.7","0.3","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C41 H37 Co2 N4 O17 -","- C41 H31 Co2 N4 O17 -","- C82 H62 Co4 N8 O34 -","2","1","","Guo, Jiao; Ma, Jian-Fang; Liu, Bo; Kan, Wei-Qiu; Yang, Jin","A Series of 2D and 3D Metal‒Organic Frameworks Based on a Flexible Tetrakis(4-pyridyloxymethylene)methane Ligand and Polycarboxylates: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2011","11","8","3609","","10.1021/cg200581w","","","0.71073","MoKα","","0.1598","0.0668","","","0.1552","0.1797","","","","","","0.768","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500986","16.8478","0.0008","17.0353","0.0009","8.0615","0.0005","90","","90","","90","","2313.7","0.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C86 H70 Cu4 N8 O35 -","- C86 H64 Cu4 N8 O35 -","- C86 H64 Cu4 N8 O35 -","1","0.25","","Guo, Jiao; Ma, Jian-Fang; Liu, Bo; Kan, Wei-Qiu; Yang, Jin","A Series of 2D and 3D Metal‒Organic Frameworks Based on a Flexible Tetrakis(4-pyridyloxymethylene)methane Ligand and Polycarboxylates: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2011","11","8","3609","","10.1021/cg200581w","","","0.71073","MoKα","","0.0809","0.0441","","","0.1026","0.1099","","","","","","0.707","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500987","16.272","0.005","16.272","0.005","29.936","0.005","90","0.005","90","0.005","90","0.005","7926","4","293","2","293","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C45 H28 Co2 N4 O20 -","- C45 H20 Co2 N4 O20 -","- C360 H160 Co16 N32 O160 -","8","0.25","","Guo, Jiao; Ma, Jian-Fang; Liu, Bo; Kan, Wei-Qiu; Yang, Jin","A Series of 2D and 3D Metal‒Organic Frameworks Based on a Flexible Tetrakis(4-pyridyloxymethylene)methane Ligand and Polycarboxylates: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2011","11","8","3609","","10.1021/cg200581w","","","0.71069","MoKα","","0.0888","0.0365","","","0.0711","0.0758","","","","","","0.788","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500988","14.8271","0.0007","14.287","0.0007","27.5557","0.0014","90","","97.689","0.005","90","","5784.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H54 Cd N4 O29 -","- C52 H38 Cd N4 O29 -","- C208 H152 Cd4 N16 O116 -","4","1","","Guo, Jiao; Ma, Jian-Fang; Liu, Bo; Kan, Wei-Qiu; Yang, Jin","A Series of 2D and 3D Metal‒Organic Frameworks Based on a Flexible Tetrakis(4-pyridyloxymethylene)methane Ligand and Polycarboxylates: Syntheses, Structures, and Photoluminescent Properties","Crystal Growth & Design","2011","11","8","3609","","10.1021/cg200581w","","","0.71073","MoKα","","0.1768","0.0841","","","0.1539","0.1844","","","","","","1.155","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4500989","12.1799","0.0007","16.0955","0.0012","21.5932","0.0018","90","","90","","90","","4233.2","0.5","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H56 Ge4 N12 Ni2 O S10 -","- C18 H56 Ge4 N12 Ni2 O S10 -","- C72 H224 Ge16 N48 Ni8 O4 S40 -","4","1","","Liu, Guang-Ning; Lin, Jian-Di; Xu, Zhong-Ning; Liu, Zhi-Fa; Guo, Guo-Cong; Huang, Jin-Shun","Spontaneous Resolution of a New Thiogermanate Containing Chiral Binuclear Nickel(II) Complexes with Achiral Triethylenetetramine Ligands: A Unique Water-Mediated Supramolecular Hybrid Helix","Crystal Growth & Design","2011","11","8","3318","","10.1021/cg2005826","","","0.71073","MoKα","","0.078","0.0496","","","0.1114","0.1273","","","","","","0.999","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500990","12.151","0.002","15.996","0.003","21.588","0.004","90","","90","","90","","4196","1.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H56 Ge4 N12 Ni2 O S10 -","- C18 H56 Ge4 N12 Ni2 O S10 -","- C72 H224 Ge16 N48 Ni8 O4 S40 -","4","1","","Liu, Guang-Ning; Lin, Jian-Di; Xu, Zhong-Ning; Liu, Zhi-Fa; Guo, Guo-Cong; Huang, Jin-Shun","Spontaneous Resolution of a New Thiogermanate Containing Chiral Binuclear Nickel(II) Complexes with Achiral Triethylenetetramine Ligands: A Unique Water-Mediated Supramolecular Hybrid Helix","Crystal Growth & Design","2011","11","8","3318","","10.1021/cg2005826","","","0.71073","MoKα","","0.0418","0.0379","","","0.103","0.1065","","","","","","1.009","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4500991","22.266","0.005","22.266","0.005","22.266","0.005","90","","90","","90","","11039","4","130","2","130","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- C50 H90 N2 O18 Zn2 -","- C18 H6 O12 Zn2 -","- C144 H48 O96 Zn16 -","8","0.0833333","","Abrahams, Brendan F.; Hudson, Timothy A.; McCormick, Laura J.; Robson, Richard","Coordination Polymers of 2,5-Dihydroxybenzoquinone and Chloranilic Acid with the (10,3)-aTopology","Crystal Growth & Design","2011","11","7","2717","","10.1021/cg2005908","","","1.5418","CuKα","","0.1037","0.0978","","","0.2731","0.2795","","","","","","1.086","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500992","22.2434","0.0011","22.2434","0.0011","22.2434","0.0011","90","","90","","90","","11005.3","0.9","130","2","130","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- C50 H92 Co2 N2 O19 -","- C18 H6 Co2 O12 -","- C144 H48 Co16 O96 -","8","0.0833333","","Abrahams, Brendan F.; Hudson, Timothy A.; McCormick, Laura J.; Robson, Richard","Coordination Polymers of 2,5-Dihydroxybenzoquinone and Chloranilic Acid with the (10,3)-aTopology","Crystal Growth & Design","2011","11","7","2717","","10.1021/cg2005908","","","1.54184","CuKα","","0.1545","0.125","","","0.3577","0.3805","","","","","","1.238","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500993","23.4246","0.0006","23.4246","0.0006","21.3264","0.0012","90","","90","","90","","11702","0.8","130","2","130","2","","","","","","","","5","I 41/a c d :1","I 4bw 2aw -1bw","142","","","","- C50 H104 Mn2 N2 O25 -","- C18 H6 Mn2 O12 -","- C144 H48 Mn16 O96 -","8","0.25","","Abrahams, Brendan F.; Hudson, Timothy A.; McCormick, Laura J.; Robson, Richard","Coordination Polymers of 2,5-Dihydroxybenzoquinone and Chloranilic Acid with the (10,3)-aTopology","Crystal Growth & Design","2011","11","7","2717","","10.1021/cg2005908","","","1.54184","CuKα","","0.1509","0.1252","","","0.3471","0.3675","","","","","","1.196","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500994","22.1014","0.0013","22.1014","0.0013","22.1014","0.0013","90","","90","","90","","10795.9","1.1","130","2","130","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- C50 H86 N2 Ni2 O16 -","- C18 H6 Ni2 O12 -","- C144 H48 Ni16 O96 -","8","0.0833333","","Abrahams, Brendan F.; Hudson, Timothy A.; McCormick, Laura J.; Robson, Richard","Coordination Polymers of 2,5-Dihydroxybenzoquinone and Chloranilic Acid with the (10,3)-aTopology","Crystal Growth & Design","2011","11","7","2717","","10.1021/cg2005908","","","1.54184","CuKα","","0.1121","0.1048","","","0.3997","0.4083","","","","","","1.722","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500995","22.1408","0.001","22.1408","0.001","22.1408","0.001","90","","90","","90","","10853.8","0.8","130","2","130","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- C50 H96 Fe2 N2 O21 -","- C18 H6 Fe2 O12 -","- C144 H48 Fe16 O96 -","8","0.0833333","","Abrahams, Brendan F.; Hudson, Timothy A.; McCormick, Laura J.; Robson, Richard","Coordination Polymers of 2,5-Dihydroxybenzoquinone and Chloranilic Acid with the (10,3)-aTopology","Crystal Growth & Design","2011","11","7","2717","","10.1021/cg2005908","","","1.54184","CuKα","","0.1194","0.0991","","","0.2797","0.3104","","","","","","1.089","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500996","22.215","0.003","22.215","0.003","22.215","0.003","90","","90","","90","","10963","3","130","2","130","2","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","","","- C52 H86 N2 O14 Zn2 -","- C18 H6 O12 Zn2 -","- C144 H48 O96 Zn16 -","8","0.0833333","","Abrahams, Brendan F.; Hudson, Timothy A.; McCormick, Laura J.; Robson, Richard","Coordination Polymers of 2,5-Dihydroxybenzoquinone and Chloranilic Acid with the (10,3)-aTopology","Crystal Growth & Design","2011","11","7","2717","","10.1021/cg2005908","","","1.54184","CuKα","","0.141","0.0873","","","0.2152","0.2317","","","","","","0.826","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500997","22.7292","0.0006","22.7292","0.0006","22.7292","0.0006","90","","90","","90","","11742.3","0.5","130","2","130","2","","","","","","","","6","I -4 3 d","I -4bd 2c 3","220","","","","- C58 H104 Cl6 Mn2 N2 O20 -","- C18 Cl6 Mn2 O12 -","- C144 Cl48 Mn16 O96 -","8","0.166667","","Abrahams, Brendan F.; Hudson, Timothy A.; McCormick, Laura J.; Robson, Richard","Coordination Polymers of 2,5-Dihydroxybenzoquinone and Chloranilic Acid with the (10,3)-aTopology","Crystal Growth & Design","2011","11","7","2717","","10.1021/cg2005908","","","1.54184","CuKα","","0.1366","0.0954","","","0.2272","0.2441","","","","","","1.077","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500998","5.601","0.0006","13.344","0.001","31.751","0.002","90","","90","","90","","2373.1","0.3","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","Barium uranyl piroarsenate","","","- As6 Ba4 O25 U2 -","- As6 Ba4 O25 U2 -","- As24 Ba16 O100 U8 -","4","1","","Alekseev, Evgeny V.; Krivovichev, Sergey V.; Depmeier, Wulf","Structural Complexity of Barium Uranyl Arsenates: Synthesis, Structure, and Topology of Ba4[(UO2)2(As2O7)3], Ba3[(UO2)2(AsO4)2(As2O7)], and Ba5Ca[(UO2)8(AsO4)4O8]","Crystal Growth & Design","2011","11","7","3295","","10.1021/cg200592s","","","0.71073","MoKα","","0.0475","0.0441","","","0.117","0.1226","","","","","","1.05","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4500999","19.246","0.002","9.536","0.001","9.619","0.001","90","","95.585","0.006","90","","1757","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Barium uranyl mixed arsenate","","","- As4 Ba3 O19 U2 -","- As4 Ba3 O19 U2 -","- As16 Ba12 O76 U8 -","4","0.5","","Alekseev, Evgeny V.; Krivovichev, Sergey V.; Depmeier, Wulf","Structural Complexity of Barium Uranyl Arsenates: Synthesis, Structure, and Topology of Ba4[(UO2)2(As2O7)3], Ba3[(UO2)2(AsO4)2(As2O7)], and Ba5Ca[(UO2)8(AsO4)4O8]","Crystal Growth & Design","2011","11","7","3295","","10.1021/cg200592s","","","0.71073","MoKα","","0.0501","0.049","","","0.1309","0.132","","","","","","1.097","","","","has coordinates","179540","2020-10-21","18:00:00",""
"4501000","12.073","0.001","12.838","0.001","13.472","0.001","90","","116.969","0.003","90","","1861","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","barium calcium uranyl arsenate","","","- As4 Ba5 Ca O40 U8 -","- As4 Ba5 Ca O40 U8 -","- As8 Ba10 Ca2 O80 U16 -","2","0.5","","Alekseev, Evgeny V.; Krivovichev, Sergey V.; Depmeier, Wulf","Structural Complexity of Barium Uranyl Arsenates: Synthesis, Structure, and Topology of Ba4[(UO2)2(As2O7)3], Ba3[(UO2)2(AsO4)2(As2O7)], and Ba5Ca[(UO2)8(AsO4)4O8]","Crystal Growth & Design","2011","11","7","3295","","10.1021/cg200592s","","","0.71073","MoKα","","0.0619","0.0584","","","0.1149","0.1169","","","","","","1.333","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501001","4.9382","0.0007","12.6849","0.0018","14.696","0.002","108.041","0.001","92.996","0.002","97.953","0.002","862.5","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H6 F4 I2 N2 O -","- C17 H6 F4 I2 N2 O -","- C34 H12 F8 I4 N4 O2 -","2","1","","Ji, Baoming; Wang, Weizhou; Deng, Dongsheng; Zhang, Yu","Symmetrical Bifurcated Halogen Bond: Design and Synthesis","Crystal Growth & Design","2011","11","8","3622","","10.1021/cg200603z","","","0.71073","MoKα","","0.0323","0.025","","","0.0585","0.0626","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501002","5.3613","0.0013","15.321","0.004","11.904","0.003","90","","101.207","0.002","90","","959.2","0.4","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C9 H3 F2 I N O -","- C9 H3 F2 I N O -","- C36 H12 F8 I4 N4 O4 -","4","1","","Ji, Baoming; Wang, Weizhou; Deng, Dongsheng; Zhang, Yu","Symmetrical Bifurcated Halogen Bond: Design and Synthesis","Crystal Growth & Design","2011","11","8","3622","","10.1021/cg200603z","","","0.71073","MoKα","","0.0376","0.0267","","","0.0659","0.0732","","","","","","1.008","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501003","13.985","0.002","15.55","0.003","4.6026","0.0007","90","","101.769","0.002","90","","979.9","0.3","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C18 H14 F4 I2 N4 -","- C18 H14 F4 I2 N4 -","- C36 H28 F8 I4 N8 -","2","0.25","","Ji, Baoming; Wang, Weizhou; Deng, Dongsheng; Zhang, Yu","Symmetrical Bifurcated Halogen Bond: Design and Synthesis","Crystal Growth & Design","2011","11","8","3622","","10.1021/cg200603z","","","0.71073","MoKα","","0.0196","0.0183","","","0.0448","0.046","","","","","","1.049","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4501004","8.1331","0.0006","14.6556","0.001","16.8257","0.0012","90","","90","","90","","2005.5","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N4 O7 S Zn -","- C17 H18 N4 O7 S Zn -","- C68 H72 N16 O28 S4 Zn4 -","4","1","","Liu, Qing-Yan; Wang, Yu-Ling; Zhang, Na; Jiang, Yun-Liang; Wei, Jia-Jia; Luo, Feng","Spontaneous Resolution in the Ionothermal Synthesis of Homochiral Zn(II) Metal‒Organic Frameworks with (10,3)-aTopology Constructed from Achiral 5-Sulfoisophthalate","Crystal Growth & Design","2011","11","9","3717","","10.1021/cg200606r","","","0.71073","MoKα","","0.0495","0.0347","","","0.0695","0.0738","","","","","","1.018","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501005","8.1331","0.0006","14.6556","0.001","16.8257","0.0012","90","","90","","90","","2005.5","0.2","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 N4 O7 S Zn -","- C17 H18 N4 O7 S Zn -","- C68 H72 N16 O28 S4 Zn4 -","4","1","","Liu, Qing-Yan; Wang, Yu-Ling; Zhang, Na; Jiang, Yun-Liang; Wei, Jia-Jia; Luo, Feng","Spontaneous Resolution in the Ionothermal Synthesis of Homochiral Zn(II) Metal‒Organic Frameworks with (10,3)-aTopology Constructed from Achiral 5-Sulfoisophthalate","Crystal Growth & Design","2011","11","9","3717","","10.1021/cg200606r","","","0.71073","MoKα","","0.0303","0.0277","","","0.0688","0.0699","","","","","","1.017","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501006","9.4","0.002","7.337","0.002","10.007","0.003","90","","105.25","0.02","90","","665.9","0.3","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C3 H7 Cl N6 -","- C3 H7 Cl N6 -","- C12 H28 Cl4 N24 -","4","1","","Naik, Anil D.; Tinant, Bernard; Léonard, Alexandre; Marchand-Brynaert, Jacqueline; Su, Bao-Lian; Garcia, Yann","(Di)-aminoguanidine Functionalization through Transamination: An Avenue to an Auspicious Class of Supramolecular Synthons","Crystal Growth & Design","2011","11","9","4034","","10.1021/cg200612j","","","0.71069","MoKα","","0.0344","0.0332","","","0.0825","0.0839","","","","","","1.045","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501007","6.183","0.002","6.205","0.002","8.795","0.003","83.75","0.02","78.82","0.02","86.52","0.02","328.78","0.19","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H8 Cl N5 O -","- C2 H8 Cl N5 O -","- C4 H16 Cl2 N10 O2 -","2","1","","Naik, Anil D.; Tinant, Bernard; Léonard, Alexandre; Marchand-Brynaert, Jacqueline; Su, Bao-Lian; Garcia, Yann","(Di)-aminoguanidine Functionalization through Transamination: An Avenue to an Auspicious Class of Supramolecular Synthons","Crystal Growth & Design","2011","11","9","4034","","10.1021/cg200612j","","","0.71069","MoKα","","0.0457","0.043","","","0.1146","0.1209","","","","","","1.243","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501008","13.358","0.002","9.694","0.005","10.999","0.003","90","","123.03","0.03","90","","1194.1","0.8","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H10 Cl2 N10 Zn -","- C4 H10 Cl2 N10 Zn -","- C16 H40 Cl8 N40 Zn4 -","4","0.5","","Naik, Anil D.; Tinant, Bernard; Léonard, Alexandre; Marchand-Brynaert, Jacqueline; Su, Bao-Lian; Garcia, Yann","(Di)-aminoguanidine Functionalization through Transamination: An Avenue to an Auspicious Class of Supramolecular Synthons","Crystal Growth & Design","2011","11","9","4034","","10.1021/cg200612j","","","0.71069","MoKα","","0.0409","0.0382","","","0.1004","0.1017","","","","","","1.166","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501009","7.1364","0.0005","11.4297","0.0009","11.7485","0.001","62.658","0.004","75.568","0.005","88.56","0.005","819.91","0.12","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C11 H12 Cl Cu K N2 O8 S -","- C11 H12 Cl Cu K N2 O8 S -","- C22 H24 Cl2 Cu2 K2 N4 O16 S2 -","2","1","","Kopylovich, Maximilian N.; Karabach, Yauhen Yu.; Mahmudov, Kamran T.; Haukka, Matti; Kirillov, Alexander M.; Figiel, Paweł J.; Pombeiro, Armando J. L.","Heterometallic Copper(II)‒Potassium 3D Coordination Polymers Driven by Multifunctionalized Azo Derivatives of β-Diketones","Crystal Growth & Design","2011","11","10","4247","","10.1021/cg200615s","","","0.71073","MoKα","","0.0942","0.0697","","","0.1726","0.1894","","","","","","1.069","","","","has coordinates,has disorder","179541","2020-10-21","18:00:00",""
"4501010","12.6476","0.0002","6.6691","0.0001","20.3388","0.0003","90","","96.917","0.001","90","","1703.05","0.04","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 Cu K N3 O11 S -","- C11 H14 Cu K N3 O11 S -","- C44 H56 Cu4 K4 N12 O44 S4 -","4","1","","Kopylovich, Maximilian N.; Karabach, Yauhen Yu.; Mahmudov, Kamran T.; Haukka, Matti; Kirillov, Alexander M.; Figiel, Paweł J.; Pombeiro, Armando J. L.","Heterometallic Copper(II)‒Potassium 3D Coordination Polymers Driven by Multifunctionalized Azo Derivatives of β-Diketones","Crystal Growth & Design","2011","11","10","4247","","10.1021/cg200615s","","","0.71073","MoKα","","0.0391","0.0288","","","0.0714","0.0757","","","","","","1.067","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501011","19.136","0.011","19.813","0.012","5.177","0.003","90","","90","","90","","1963","2","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C88 H92 N4 O8 S4 -","4","1","","Eccles, Kevin S.; Elcoate, Curtis J.; Maguire, Anita R.; Lawrence, Simon E.","Unzipping the Dimer in Primary Amides by Cocrystallization with Sulfoxides","Crystal Growth & Design","2011","11","10","4433","","10.1021/cg2006277","","","0.71073","MoKα","","0.0807","0.0431","","","0.0822","0.0942","","","","","","0.999","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501012","18.71","0.11","20.13","0.05","5.197","0.016","90","","90","","90","","1957","14","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C88 H92 N4 O8 S4 -","4","1","","Eccles, Kevin S.; Elcoate, Curtis J.; Maguire, Anita R.; Lawrence, Simon E.","Unzipping the Dimer in Primary Amides by Cocrystallization with Sulfoxides","Crystal Growth & Design","2011","11","10","4433","","10.1021/cg2006277","","","0.71073","MoKα","","0.0926","0.0466","","","0.0838","0.0991","","","","","","0.985","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501013","18.822","0.003","19.735","0.003","5.1366","0.0006","90","","90","","90","","1908","0.5","135","2","135","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C21 H20 Cl N O2 S -","- C21 H20 Cl N O2 S -","- C84 H80 Cl4 N4 O8 S4 -","4","1","","Eccles, Kevin S.; Elcoate, Curtis J.; Maguire, Anita R.; Lawrence, Simon E.","Unzipping the Dimer in Primary Amides by Cocrystallization with Sulfoxides","Crystal Growth & Design","2011","11","10","4433","","10.1021/cg2006277","","","0.71073","MoKα","","0.0723","0.0466","","","0.0866","0.0961","","","","","","1.019","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501014","14.6467","0.001","14.6467","0.001","13.7488","0.0012","90","","90","","90","","2949.5","0.4","173","2","173","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C58 H60 Co2 N2 O12 S4 -","- C58 H60 Co2 N2 O12 S4 -","- C116 H120 Co4 N4 O24 S8 -","2","0.25","","Kim, Kihwan; Park, Sunhong; Park, Ki-Min; Lee, Shim Sung","Thiacalix[4]arene-Based Three-Dimensional Coordination Polymers Incorporating Neutral Bridging Coligands","Crystal Growth & Design","2011","11","9","4059","","10.1021/cg2006315","","","0.71073","MoKα","","0.0952","0.0773","","","0.2159","0.2269","","","","","","1.071","","","","has coordinates,has disorder","179541","2020-10-21","18:00:00",""
"4501015","22.6129","0.0003","22.6129","0.0003","45.2251","0.0006","90","","90","","90","","23125.5","0.5","173","2","173","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C68 H76 Co2 N4 O16 S4 -","- C68 H76 Co2 N4 O16 S4 -","- C544 H608 Co16 N32 O128 S32 -","8","0.25","","Kim, Kihwan; Park, Sunhong; Park, Ki-Min; Lee, Shim Sung","Thiacalix[4]arene-Based Three-Dimensional Coordination Polymers Incorporating Neutral Bridging Coligands","Crystal Growth & Design","2011","11","9","4059","","10.1021/cg2006315","","","0.71073","MoKα","","0.0723","0.0465","","","0.1215","0.128","","","","","","1.014","","","","has coordinates,has disorder","179541","2020-10-21","18:00:00",""
"4501016","12.7259","0.0002","36.7932","0.0006","20.4626","0.0004","90","","116.104","0.001","90","","8603.8","0.3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C144 H172 Co3 N12 Na2 O38 S8 -","- C144 H164 Co3 N12 Na2 O38 S8 -","- C288 H328 Co6 N24 Na4 O76 S16 -","2","0.5","","Kim, Kihwan; Park, Sunhong; Park, Ki-Min; Lee, Shim Sung","Thiacalix[4]arene-Based Three-Dimensional Coordination Polymers Incorporating Neutral Bridging Coligands","Crystal Growth & Design","2011","11","9","4059","","10.1021/cg2006315","","","0.71073","MoKα","","0.1184","0.0748","","","0.2205","0.2547","","","","","","1.041","","","","has coordinates,has disorder","179541","2020-10-21","18:00:00",""
"4501017","20.3454","0.0016","14.9971","0.0012","22.4622","0.0017","90","","103.852","0.005","90","","6654.4","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C120 H166 Cd4 N8 O32 S8 -","- C120 H166 Cd4 N8 O32 S8 -","- C240 H332 Cd8 N16 O64 S16 -","2","0.5","","Kim, Kihwan; Park, Sunhong; Park, Ki-Min; Lee, Shim Sung","Thiacalix[4]arene-Based Three-Dimensional Coordination Polymers Incorporating Neutral Bridging Coligands","Crystal Growth & Design","2011","11","9","4059","","10.1021/cg2006315","","","0.71073","MoKα","","0.1917","0.0758","","","0.1708","0.234","","","","","","1.032","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501018","7.0118","0.0013","7.3848","0.0017","9.9023","0.0017","95.805","0.002","106.502","0.003","110.677","0.002","448.21","0.15","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","4,7-dimethyl-2H-chromen-2-one","","- C11 H10 O2 -","- C11 H10 O2 -","- C22 H20 O4 -","2","1","","Seth, Saikat Kumar; Sarkar, Debayan; Jana, Atish Dipankar; Kar, Tanusree","On the Possibility of Tuning Molecular Edges To Direct Supramolecular Self-Assembly in Coumarin Derivatives through Cooperative Weak Forces: Crystallographic and Hirshfeld Surface Analyses","Crystal Growth & Design","2011","11","11","4837","","10.1021/cg2006343","","","0.71073","MoKα","","0.0552","0.0424","","","0.116","0.1273","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501019","7.038","0.0011","9.396","0.003","13.358","0.0011","90","","98.932","0.006","90","","872.6","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","8-hydroxy-4,7-dimethyl-2H-chromen-2-one","","- C11 H10 O3 -","- C11 H10 O3 -","- C44 H40 O12 -","4","1","","Seth, Saikat Kumar; Sarkar, Debayan; Jana, Atish Dipankar; Kar, Tanusree","On the Possibility of Tuning Molecular Edges To Direct Supramolecular Self-Assembly in Coumarin Derivatives through Cooperative Weak Forces: Crystallographic and Hirshfeld Surface Analyses","Crystal Growth & Design","2011","11","11","4837","","10.1021/cg2006343","","","0.71073","MoKα","","0.0345","0.0333","","","0.0945","0.0962","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501020","12.529","0.008","12.889","0.003","12.689","0.004","90","","115.679","0.002","90","","1846.7","1.4","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","6-methoxy-7-methyl-2H-chromen-2-one","","- C11 H10 O3 -","- C11 H10 O3 -","- C88 H80 O24 -","8","1","","Seth, Saikat Kumar; Sarkar, Debayan; Jana, Atish Dipankar; Kar, Tanusree","On the Possibility of Tuning Molecular Edges To Direct Supramolecular Self-Assembly in Coumarin Derivatives through Cooperative Weak Forces: Crystallographic and Hirshfeld Surface Analyses","Crystal Growth & Design","2011","11","11","4837","","10.1021/cg2006343","","","0.71073","MoKα","","0.0597","0.0444","","","0.1221","0.1363","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501021","4.1622","0.0005","10.5891","0.0013","21.932","0.003","90","","91.696","0.004","90","","966.2","0.2","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 O3 -","- C12 H10 O3 -","- C48 H40 O12 -","4","1","","Seth, Saikat Kumar; Sarkar, Debayan; Jana, Atish Dipankar; Kar, Tanusree","On the Possibility of Tuning Molecular Edges To Direct Supramolecular Self-Assembly in Coumarin Derivatives through Cooperative Weak Forces: Crystallographic and Hirshfeld Surface Analyses","Crystal Growth & Design","2011","11","11","4837","","10.1021/cg2006343","","","0.71073","MoKα","","0.0473","0.0365","","","0.0898","0.097","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501022","7.0532","0.0003","14.0806","0.0006","12.0234","0.0006","90","","90.999","0.001","90","","1193.9","0.09","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C60 H44 N4 O16 -","4","2","","Reger, Daniel L.; Debreczeni, Agota; Horger, Jacob J.; Smith, Mark D.","Structures of Bifunctional Molecules Containing Two Very Different Supramolecular Synthons: Carboxylic Acid and Strong π···π Stacking 1,8-Naphthalimide Ring","Crystal Growth & Design","2011","11","9","4068","","10.1021/cg200636k","","","0.71073","MoKα","","0.0304","0.0293","","","0.0756","0.077","","","","","","1.054","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501023","8.3327","0.0003","18.8237","0.0007","7.0193","0.0003","90","","91.799","0.001","90","","1100.45","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 N O4 -","- C14 H9 N O4 -","- C56 H36 N4 O16 -","4","1","","Reger, Daniel L.; Debreczeni, Agota; Horger, Jacob J.; Smith, Mark D.","Structures of Bifunctional Molecules Containing Two Very Different Supramolecular Synthons: Carboxylic Acid and Strong π···π Stacking 1,8-Naphthalimide Ring","Crystal Growth & Design","2011","11","9","4068","","10.1021/cg200636k","","","0.71073","MoKα","","0.0443","0.0408","","","0.1084","0.1117","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501024","19.6828","0.0019","9.6776","0.0009","14.1849","0.0014","90","","114.061","0.002","90","","2467.2","0.4","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H11 N O4 -","- C15 H11 N O4 -","- C120 H88 N8 O32 -","8","1","","Reger, Daniel L.; Debreczeni, Agota; Horger, Jacob J.; Smith, Mark D.","Structures of Bifunctional Molecules Containing Two Very Different Supramolecular Synthons: Carboxylic Acid and Strong π···π Stacking 1,8-Naphthalimide Ring","Crystal Growth & Design","2011","11","9","4068","","10.1021/cg200636k","","","0.71073","MoKα","","0.0551","0.0431","","","0.1145","0.1238","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501025","7.2902","0.0004","11.9959","0.0007","14.9283","0.0009","90","","102.195","0.001","90","","1276.06","0.13","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C64 H52 N4 O16 -","4","1","","Reger, Daniel L.; Debreczeni, Agota; Horger, Jacob J.; Smith, Mark D.","Structures of Bifunctional Molecules Containing Two Very Different Supramolecular Synthons: Carboxylic Acid and Strong π···π Stacking 1,8-Naphthalimide Ring","Crystal Growth & Design","2011","11","9","4068","","10.1021/cg200636k","","","0.71073","MoKα","","0.0427","0.0359","","","0.0984","0.1026","","","","","","1.079","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501026","12.7242","0.0006","20.4744","0.001","7.5919","0.0004","90","","114.921","0.001","90","","1793.69","0.15","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 N2 O5 -","- C22 H18 N2 O5 -","- C88 H72 N8 O20 -","4","0.5","","Reger, Daniel L.; Debreczeni, Agota; Horger, Jacob J.; Smith, Mark D.","Structures of Bifunctional Molecules Containing Two Very Different Supramolecular Synthons: Carboxylic Acid and Strong π···π Stacking 1,8-Naphthalimide Ring","Crystal Growth & Design","2011","11","9","4068","","10.1021/cg200636k","","","0.71073","MoKα","","0.0508","0.0416","","","0.1135","0.1201","","","","","","1.079","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501027","23.985","0.0008","23.985","0.0008","26.9081","0.0018","90","","90","","120","","13405.8","1.1","150","2","150","2","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","","- C19 H11 N O4 -","- C19 H11 N O4 -","- C684 H396 N36 O144 -","36","1","","Reger, Daniel L.; Debreczeni, Agota; Horger, Jacob J.; Smith, Mark D.","Structures of Bifunctional Molecules Containing Two Very Different Supramolecular Synthons: Carboxylic Acid and Strong π···π Stacking 1,8-Naphthalimide Ring","Crystal Growth & Design","2011","11","9","4068","","10.1021/cg200636k","","","0.71073","MoKα","","0.0679","0.0351","","","0.0628","0.0712","","","","","","0.881","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501028","13.641","0.003","25.222","0.005","17","0.003","90","","103.37","0.03","90","","5690","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Hexamanganese(II)hydroxy undecabutyrate","Hexamanganese(II)hydroxy undecabutyrate","","- C44 H78 Mn6 O23 -","- C44 H78 Mn6 O23 -","- C176 H312 Mn24 O92 -","4","1","","Martínez Casado, F. J.; Fabelo, O.; Rodríguez-Velamazán, J. A.; Ramos Riesco, M.; Rodríguez Cheda, J. A.; Labrador, A.; Rodríguez-Blanco, C.; Campo, J.; Sánchez-Alarcos, V.; Müller, H.","Manganese(II) Butyrate-Based MOFs: Structures, Thermal and Magnetic Properties","Crystal Growth & Design","2011","11","9","4080","","10.1021/cg200649n","","","0.7514","Synchrotron","","0.0836","0.0766","","","0.2464","0.251","","","","","","1.039","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501029","14.65","0.003","25.263","0.005","17.207","0.003","90","","106.9","0.03","90","","6093","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Hexamanganese(II)hydroxy undecabutyrate","Hexamanganese(II)hydroxy undecabutyrate","","- C44 H78 Mn6 O23 -","- C44 H78 Mn6 O23 -","- C176 H312 Mn24 O92 -","4","1","","Martínez Casado, F. J.; Fabelo, O.; Rodríguez-Velamazán, J. A.; Ramos Riesco, M.; Rodríguez Cheda, J. A.; Labrador, A.; Rodríguez-Blanco, C.; Campo, J.; Sánchez-Alarcos, V.; Müller, H.","Manganese(II) Butyrate-Based MOFs: Structures, Thermal and Magnetic Properties","Crystal Growth & Design","2011","11","9","4080","","10.1021/cg200649n","","","0.7514","Synchrotron","","0.0998","0.0889","","","0.2907","0.3003","","","","","","1.061","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501030","40.059","0.005","40.059","0.005","40.059","0.005","90","","90","","90","","64284","14","100","2","100","2","","","","","","","","4","I a -3","-I 2b 2c 3","206","Pentamanganese(II) decabutyrate dihydrate","Manganese(II) butyrate hydrate (0.4)","","- C40 H74 Mn5 O22 -","- C40 H74 Mn5 O22 -","- C1920 H3552 Mn240 O1056 -","48","1","","Martínez Casado, F. J.; Fabelo, O.; Rodríguez-Velamazán, J. A.; Ramos Riesco, M.; Rodríguez Cheda, J. A.; Labrador, A.; Rodríguez-Blanco, C.; Campo, J.; Sánchez-Alarcos, V.; Müller, H.","Manganese(II) Butyrate-Based MOFs: Structures, Thermal and Magnetic Properties","Crystal Growth & Design","2011","11","9","4080","","10.1021/cg200649n","","","0.7514","Synchrotron","","0.0351","0.0343","","","0.09","0.0905","","","","","","1.026","","","","has coordinates,has disorder","179541","2020-10-21","18:00:00",""
"4501031","40.58","0.005","40.58","0.005","40.58","0.005","90","","90","","90","","66825","14","298","2","298","2","","","","","","","","4","I a -3","-I 2b 2c 3","206","Pentamanganese(II) decabutyrate dihydrate","Manganese(II) butyrate hydrate (0.4)","","- C40 H74 Mn5 O22 -","- C40 H74 Mn5 O22 -","- C1920 H3552 Mn240 O1056 -","48","1","","Martínez Casado, F. J.; Fabelo, O.; Rodríguez-Velamazán, J. A.; Ramos Riesco, M.; Rodríguez Cheda, J. A.; Labrador, A.; Rodríguez-Blanco, C.; Campo, J.; Sánchez-Alarcos, V.; Müller, H.","Manganese(II) Butyrate-Based MOFs: Structures, Thermal and Magnetic Properties","Crystal Growth & Design","2011","11","9","4080","","10.1021/cg200649n","","","0.7513","Synchrotron","","0.0424","0.0394","","","0.1109","0.1137","","","","","","1.006","","","","has coordinates,has disorder","179541","2020-10-21","18:00:00",""
"4501032","9.9318","0.0012","10.998","0.0008","14.451","0.0004","99.617","0.005","107.067","0.007","103.331","0.007","1420.8","0.2","208","2","208","2","","","","","","","","8","P -1","-P 1","2","","","","- C27 H25 B Cl2 Cu F4 N4 P -","- C27 H25 B Cl2 Cu F4 N4 P -","- C54 H50 B2 Cl4 Cu2 F8 N8 P2 -","2","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.0478","0.0361","","0.0846","0.0785","0.0846","","","1.054","","","1.054","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501033","10.1515","0.0009","11.1543","0.0017","14.5731","0.0008","101.892","0.011","106.289","0.006","104.671","0.011","1462.5","0.3","208","2","208","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H31 B Cu F4 N4 O P -","- C30 H31 B Cu F4 N4 O P -","- C60 H62 B2 Cu2 F8 N8 O2 P2 -","2","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.0764","0.051","","0.1142","0.1036","0.1142","","","1.081","","","1.081","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501034","27.99","0.004","11.112","0.006","17.2816","0.0018","90","","102.175","0.011","90","","5254","3","208","2","208","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 Cl4 Cu N2 O4 P -","- C23 H20 Cl4 Cu N2 O4 P -","- C184 H160 Cl32 Cu8 N16 O32 P8 -","8","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.1301","0.0908","","0.259","0.2308","0.259","","","1.028","","","1.028","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501035","9.9525","0.0012","11.0093","0.0011","14.5265","0.0016","99.609","0.006","107.635","0.009","103.227","0.007","1428","0.3","208","2","208","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H25 Cl3 Cu N4 O4 P -","- C27 H25 Cl3 Cu N4 O4 P -","- C54 H50 Cl6 Cu2 N8 O8 P2 -","2","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.0732","0.0488","","0.0921","0.0841","0.0921","","","1.084","","","1.084","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501036","19.039","0.003","23.6793","0.0017","26.077","0.004","90","","94.572","0.011","90","","11719","3","208","2","208","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C119 H121 Cl3 Cu3 N9 O17 P3 -","- C119 H121 Cl3 Cu3 N9 O17 P3 -","- C476 H484 Cl12 Cu12 N36 O68 P12 -","4","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.1015","0.0608","","0.1829","0.1617","0.1829","","","1.087","","","1.087","","","","has coordinates,has disorder","179541","2020-10-21","18:00:00",""
"4501037","11.0417","0.0011","17.3398","0.0014","19.8809","0.0012","90","","102.275","0.006","90","","3719.4","0.5","208","2","208","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 Cl5 Cu N3 O4 P -","- C35 H31 Cl5 Cu N3 O4 P -","- C140 H124 Cl20 Cu4 N12 O16 P4 -","4","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.1032","0.0649","","0.1531","0.1344","0.1531","","","1.051","","","1.051","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501038","12.882","0.0009","15.9637","0.0015","16.7495","0.0014","67.131","0.008","89.524","0.005","72.358","0.009","3000.8","0.5","208","2","208","2","","","","","","","","8","P -1","-P 1","2","","","","- C50 H42 B Cl12 Cu F4 N2 P2 -","- C50 H42 B Cl12 Cu F4 N2 P2 -","- C100 H84 B2 Cl24 Cu2 F8 N4 P4 -","2","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.1522","0.1181","","0.3149","0.2964","0.3149","","","1.085","","","1.085","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501039","11.0271","0.0015","17.337","0.002","19.9735","0.0016","90","","102.459","0.008","90","","3728.5","0.7","208","2","208","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 B Cl4 Cu F4 N3 P -","- C35 H31 B Cl4 Cu F4 N3 P -","- C140 H124 B4 Cl16 Cu4 F16 N12 P4 -","4","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.0978","0.0606","","0.1434","0.1249","0.1434","","","1.06","","","1.06","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501040","19.044","0.002","23.6112","0.0008","26.174","0.004","90","","94.589","0.01","90","","11731","2","208","2","208","2","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C115 H113 B3 Cu3 F12 N9 O4 P3 -","- C115 H113 B3 Cu3 F12 N9 O4 P3 -","- C460 H452 B12 Cu12 F48 N36 O16 P12 -","4","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.1538","0.1009","","0.3106","0.282","0.3106","","","1.047","","","1.047","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501041","19.0455","0.0015","19.2388","0.0012","24.4262","0.001","90","","90","","90","","8950.1","1","208","2","208","2","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C50 H46 Cu F6 N2 O P3 -","- C50 H46 Cu F6 N2 O P3 -","- C400 H368 Cu8 F48 N16 O8 P24 -","8","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.1409","0.0762","","0.1614","0.1376","0.1614","","","1.083","","","1.083","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501042","11.133","0.0014","17.542","0.002","20.2848","0.0013","90","","103.652","0.006","90","","3849.6","0.7","208","2","208","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H31 Cl4 Cu F6 N3 P2 -","- C35 H31 Cl4 Cu F6 N3 P2 -","- C140 H124 Cl16 Cu4 F24 N12 P8 -","4","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71083","MoKα","","0.1461","0.0977","","0.2588","0.2284","0.2588","","","1.052","","","1.052","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501043","14.3","0.003","18.7302","0.0014","22.717","0.004","90","","119.867","0.011","90","","5276.4","1.6","208","2","208","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C58 H62 B Cu F4 N2 O3 P2 -","- C58 H62 B Cu F4 N2 O3 P2 -","- C232 H248 B4 Cu4 F16 N8 O12 P8 -","4","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.13","0.0715","","0.2074","0.1735","0.2074","","","1.047","","","1.047","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501044","19.034","0.004","16.284","0.002","17.279","0.002","90","","92.493","0.012","90","","5350.6","1.4","208","2","208","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H41 Cl10 Cu N2 O4 P2 -","- C49 H41 Cl10 Cu N2 O4 P2 -","- C196 H164 Cl40 Cu4 N8 O16 P8 -","4","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.2081","0.1211","","0.3394","0.288","0.3394","","","1.036","","","1.036","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501045","12.8791","0.0015","15.598","0.003","16.47","0.002","63.679","0.01","79.279","0.012","80.168","0.014","2899.2","0.8","208","2","208","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H42 Cl12 Cu F6 N2 P3 -","- C49.327 H41.327 Cl9.981 Cu F5.358 N2 P2.893 -","- C98.654 H82.654 Cl19.962 Cu2 F10.716 N4 P5.786 -","2","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.1808","0.1009","","0.2729","0.233","0.2729","","","1.044","","","1.044","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501046","14.3365","0.001","18.757","0.003","22.7858","0.0019","90","","120.536","0.005","90","","5277.5","1.1","208","2","208","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C58 H62 Cl Cu N2 O7 P2 -","- C58 H62 Cl Cu N2 O7 P2 -","- C232 H248 Cl4 Cu4 N8 O28 P8 -","4","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.1134","0.0732","","0.1881","0.1677","0.1881","","","1.055","","","1.055","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501047","10.6227","0.0004","12.5763","0.0016","14.1396","0.0008","63.634","0.006","72.594","0.004","74.095","0.006","1592.8","0.2","208","2","208","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H31 Cu F6 N4 O P2 -","- C26 H23 Cu F6 N4 P2 -","- C52 H46 Cu2 F12 N8 P4 -","2","1","","Janssen, Femke F. B. J.; Veraart, Laurens P. J.; Smits, Jan M. M.; de Gelder, René; Rowan, Alan E.","1. Solvent, Linker, and Anion Effects on the Formation, Connectivity, and Topology of Cu(I)/PPh3/N-Donor Ligand Coordination Polymers","Crystal Growth & Design","2011","11","10","4313","","10.1021/cg2006502","","","0.71073","MoKα","","0.1704","0.0986","","0.2247","0.1951","0.2247","","","1.031","","","1.031","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501048","11.512","0.002","11.456","0.002","7.1028","0.0015","90","","90","","90","","936.7","0.3","291","2","291","2","","","","","","","see text","3","A b a 2","A 2 -2ab","41","","(1s,6s)-11,13-dioxatricyclo[4.4.3.0^1,6^]trideca-3,8-dien-12-one","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","","","Mehta, Goverdhan; Sen, Saikat","Interesting Modes of Self-assembly of Achiral 12-Oxo-11,13-dioxa[4.4.3]propellanes in a Noncentrosymmetric Environment","Crystal Growth & Design","2011","11","9","3721","","10.1021/cg200665w","","","0.71073","MoKa","","0.0567","0.0495","","","0.1176","0.1216","","","","","","1.215","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501049","7.6793","0.0007","10.2749","0.001","12.4329","0.0012","90","","90","","90","","981.01","0.16","291","2","291","2","","","","","","","see text","3","C 2 2 21","C 2c 2","20","","(1s,6s)-11,13-dioxatricyclo[4.4.3.01,6]tridecan-12-one","","- C11 H16 O3 -","- C11 H16 O3 -","- C44 H64 O12 -","4","0.5","","Mehta, Goverdhan; Sen, Saikat","Interesting Modes of Self-assembly of Achiral 12-Oxo-11,13-dioxa[4.4.3]propellanes in a Noncentrosymmetric Environment","Crystal Growth & Design","2011","11","9","3721","","10.1021/cg200665w","","","0.71073","MoKa","","0.0366","0.0352","","","0.0866","0.0876","","","","","","1.097","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501050","8.047","0.002","14.343","0.004","7.804","0.002","90","","91.885","0.004","90","","900.2","0.4","291","2","291","2","","","","","","","see text","3","C 1 2/c 1","-C 2yc","15","","(1s,6s)-11,13-dioxatricyclo[4.4.3.0^1,6^]trideca-2,4,7,9-tetraen-12-one","","- C11 H8 O3 -","- C11 H8 O3 -","- C44 H32 O12 -","4","0.5","","Mehta, Goverdhan; Sen, Saikat","Interesting Modes of Self-assembly of Achiral 12-Oxo-11,13-dioxa[4.4.3]propellanes in a Noncentrosymmetric Environment","Crystal Growth & Design","2011","11","9","3721","","10.1021/cg200665w","","","0.71073","MoKa","","0.0577","0.0478","","","0.1121","0.1169","","","","","","1.082","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501051","5.5559","0.0011","10.321","0.002","19.819","0.004","82.82","0.03","88.63","0.03","82.49","0.03","1117.9","0.4","110","2","110","2","","","","","","","","4","P -1","-P 1","2","Metaxalone","5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","2","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Conformational Polymorphs of a Muscle Relaxant, Metaxalone","Crystal Growth & Design","2011","11","9","4101","","10.1021/cg200678e","","","0.71073","MoKα","","0.0755","0.0709","","","0.1939","0.1997","","","","","","1.098","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501052","10.101","0.002","15.505","0.003","7.1101","0.0014","90","","91.23","0.03","90","","1113.3","0.4","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Metaxalone","5-[(3,5-dimethylphenoxy)methyl]-1,3-oxazolidin-2-one","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Conformational Polymorphs of a Muscle Relaxant, Metaxalone","Crystal Growth & Design","2011","11","9","4101","","10.1021/cg200678e","","","0.71073","MoKα","","0.0955","0.0843","","","0.2315","0.2421","","","","","","1.133","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501053","12.3254","0.0004","13.5063","0.0005","20.0938","0.0007","93.146","0.003","95.493","0.002","92.688","0.002","3320.1","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 Cl N10 O15 -","- C27 H25 Cl N10 O15 -","- C108 H100 Cl4 N40 O60 -","4","2","","Dey, Sandeep Kumar; Das, Gopal","Fluoride Selectivity Induced Transformation of Charged Anion Complexes into Unimolecular Capsule of a π-Acidic Triamide Receptor Stabilized by Strong N‒H···F‒and C‒H···F‒Hydrogen Bonds","Crystal Growth & Design","2011","11","10","4463","","10.1021/cg200679x","","","0.71073","MoKα","","0.1085","0.0565","","","0.136","0.1584","","","","","","0.951","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501054","15.1066","0.0006","20.5781","0.0008","22.96","0.0008","90","","102.365","0.002","90","","6971.9","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Br N10 O16 -","- C27 H26 Br N10 O16 -","- C216 H208 Br8 N80 O128 -","8","2","","Dey, Sandeep Kumar; Das, Gopal","Fluoride Selectivity Induced Transformation of Charged Anion Complexes into Unimolecular Capsule of a π-Acidic Triamide Receptor Stabilized by Strong N‒H···F‒and C‒H···F‒Hydrogen Bonds","Crystal Growth & Design","2011","11","10","4463","","10.1021/cg200679x","","","0.71073","MoKα","","0.1445","0.0555","","","0.1456","0.1666","","","","","","0.901","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501055","11.2376","0.0009","11.5873","0.001","16.4312","0.0012","100.305","0.004","106.26","0.004","94.657","0.005","2001.2","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H33 Cl N10 O22 S -","- C29 H33 Cl N10 O22 S -","- C58 H66 Cl2 N20 O44 S2 -","2","1","","Dey, Sandeep Kumar; Das, Gopal","Fluoride Selectivity Induced Transformation of Charged Anion Complexes into Unimolecular Capsule of a π-Acidic Triamide Receptor Stabilized by Strong N‒H···F‒and C‒H···F‒Hydrogen Bonds","Crystal Growth & Design","2011","11","10","4463","","10.1021/cg200679x","","","0.71073","MoKα","","0.1163","0.0919","","","0.207","0.2428","","","","","","0.919","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501056","22.249","0.002","11.9035","0.0011","15.5067","0.0013","90","","112.327","0.005","90","","3798.9","0.6","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C29 H31 N10 O21 S2 -","- C29 H31 N10 O21 S2 -","- C116 H124 N40 O84 S8 -","4","1","","Dey, Sandeep Kumar; Das, Gopal","Fluoride Selectivity Induced Transformation of Charged Anion Complexes into Unimolecular Capsule of a π-Acidic Triamide Receptor Stabilized by Strong N‒H···F‒and C‒H···F‒Hydrogen Bonds","Crystal Growth & Design","2011","11","10","4463","","10.1021/cg200679x","","","0.71073","MoKα","","0.1015","0.0605","","","0.1432","0.1578","","","","","","0.998","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501057","9.8296","0.0006","19.1561","0.0013","19.1973","0.0013","61.201","0.003","83.109","0.004","89.652","0.004","3139.2","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H72 F N11 O21 S2 -","- C47 H72 F N11 O21 S2 -","- C94 H144 F2 N22 O42 S4 -","2","1","","Dey, Sandeep Kumar; Das, Gopal","Fluoride Selectivity Induced Transformation of Charged Anion Complexes into Unimolecular Capsule of a π-Acidic Triamide Receptor Stabilized by Strong N‒H···F‒and C‒H···F‒Hydrogen Bonds","Crystal Growth & Design","2011","11","10","4463","","10.1021/cg200679x","","","0.71073","MoKα","","0.1536","0.0914","","","0.1859","0.2449","","","","","","1.01","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501058","8.228","0.0012","13.663","0.002","11.852","0.003","90","","101.897","0.018","90","","1303.8","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-methylpyridinium picrate","","- C12 H10 N4 O7 -","- C12 H10 N4 O7 -","- C48 H40 N16 O28 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.1582","0.0646","","","0.1579","0.186","","","","","","0.897","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501059","8.2573","0.0014","24.472","0.003","8.1377","0.0013","90","","119.16","0.02","90","","1436","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,6-dimethylpyridinium picrate","","- C13 H12 N4 O7 -","- C13 H12 N4 O7 -","- C52 H48 N16 O28 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.1184","0.0966","","","0.2175","0.2263","","","","","","1.172","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501060","15.984","0.004","15.327","0.004","6.1356","0.0016","90","","90","","90","","1503.1","0.7","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","3,5-dimethylpyridinium picrate","","- C13 H12 N4 O7 -","- C13 H12 N4 O7 -","- C52 H48 N16 O28 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.054","0.0364","","","0.0963","0.1027","","","","","","0.952","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501061","4.0152","0.0003","27.818","0.002","13.8747","0.001","90","","95.667","0.007","90","","1542.2","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,4,6-trimethylpyridinium picrate","","- C14 H14 N4 O7 -","- C14 H14 N4 O7 -","- C56 H56 N16 O28 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.1007","0.0407","","","0.0853","0.0957","","","","","","0.837","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501062","12.4255","0.0005","6.8019","0.0003","17.9141","0.0009","90","","95.388","0.004","90","","1507.36","0.12","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","quinolinium picrate","","- C15 H10 N4 O7 -","- C15 H10 N4 O7 -","- C60 H40 N16 O28 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.0625","0.0412","","","0.1048","0.1118","","","","","","0.925","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501063","12.074","0.0009","29.58","0.002","3.9708","0.0004","90","","90","","90","","1418.2","0.2","295","2","295","2","","","","","","","","4","P n a 21","P 2c -2n","33","","4-aminopyridinium picrate monohydrate","","- C11 H11 N5 O8 -","- C11 H11 N5 O8 -","- C44 H44 N20 O32 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.1336","0.0296","","","0.0187","0.0231","","","","","","0.608","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501064","8.2291","0.0004","13.59","0.0006","11.8469","0.0005","90","","102.013","0.004","90","","1295.87","0.1","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-aminopyridinium picrate","","- C11 H9 N5 O7 -","- C11 H9 N5 O7 -","- C44 H36 N20 O28 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.0735","0.0462","","","0.1276","0.1358","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501065","31.4591","0.0016","29.417","0.0012","6.394","0.0003","90","","90","","90","","5917.2","0.5","295","2","295","2","","","","","","","","4","F d d 2","F 2 -2d","43","","2amino-3-nitropyridinium picrate","","- C11 H8 N6 O9 -","- C11 H8 N6 O9 -","- C176 H128 N96 O144 -","16","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.0579","0.0335","","","0.0664","0.0704","","","","","","0.877","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501066","10.6595","0.0014","8.8","0.004","14.2786","0.0008","90","","96.352","0.01","90","","1331.2","0.6","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2amino-3-hydroxylpyridinium picrate","","- C11 H9 N5 O8 -","- C11 H9 N5 O8 -","- C44 H36 N20 O32 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.0516","0.0408","","","0.1046","0.1077","","","","","","0.941","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501067","35.02","0.004","4.6148","0.0003","29.095","0.002","90","","142.052","0.003","90","","2891.5","0.5","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2-pyridylmethylammonium picrate","","- C12 H11 N5 O7 -","- C12 H11 N5 O7 -","- C96 H88 N40 O56 -","8","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.0632","0.0463","","","0.1329","0.1393","","","","","","1.027","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501068","4.0563","0.0002","11.071","0.0004","30.9908","0.0012","90","","90","","90","","1391.71","0.1","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-methoxypyrid-3-ylammonium picrate","","- C12 H11 N5 O8 -","- C12 H11 N5 O8 -","- C48 H44 N20 O32 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.052","0.0332","","","0.0702","0.095","","","","","","1.12","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501069","5.4207","0.0007","9.964","0.0015","27.53","0.004","90","","90.684","0.015","90","","1486.8","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2-carboxylpyridinium picrate monohydrate","","- C12 H10 N4 O10 -","- C12 H10 N4 O10 -","- C48 H40 N16 O40 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.0684","0.0484","","","0.121","0.1265","","","","","","1.037","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501070","15.8742","0.0013","6.7488","0.0003","15.7272","0.0011","90","","115.246","0.009","90","","1524","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-carboxylpyridinium picrate monohydrate","","- C12 H10 N4 O10 -","- C12 H10 N4 O10 -","- C48 H40 N16 O40 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.082","0.0381","","","0.0941","0.101","","","","","","0.805","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501071","9.6343","0.0004","11.6772","0.0005","17.4037","0.0008","88.539","0.004","84.668","0.004","85.152","0.003","1942.19","0.15","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","3-carboxylpyridinium picrate - nicotinic acid","","- C18 H13 N5 O11 -","- C18 H13 N5 O11 -","- C72 H52 N20 O44 -","4","2","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.06","0.036","","","0.0837","0.0884","","","","","","0.867","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501072","7.7574","0.0003","14.4873","0.0004","24.7349","0.0007","90","","90","","90","","2779.8","0.15","295","2","295","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","3-carbamoylpyridinium picrate","","- C12 H9 N5 O8 -","- C12 H9 N5 O8 -","- C96 H72 N40 O64 -","8","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.0798","0.0469","","","0.1287","0.1397","","","","","","1.032","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501073","14.0787","0.0011","7.4927","0.0007","16.0945","0.0013","90","","116.394","0.008","90","","1520.8","0.2","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-(methylcarboxyl)pyridinium picrate","","- C13 H10 N4 O9 -","- C13 H10 N4 O9 -","- C52 H40 N16 O36 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.1048","0.0583","","","0.1609","0.1762","","","","","","0.922","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501074","7.8229","0.0004","8.2179","0.0003","12.3931","0.0005","94.175","0.003","104.293","0.004","101.185","0.004","751.27","0.06","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","3-(methylcarboxyl)pyridinium picrate","","- C13 H10 N4 O9 -","- C13 H10 N4 O9 -","- C26 H20 N8 O18 -","2","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.0407","0.0349","","","0.0902","0.0926","","","","","","1.067","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501075","8.0474","0.0004","8.9275","0.0003","13.1323","0.0006","93.371","0.003","100.517","0.004","94.688","0.003","921.89","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","2-benzoylpyridinium picrate","","- C18 H12 N4 O8 -","- C18 H12 N4 O8 -","- C36 H24 N8 O16 -","2","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.0464","0.0385","","","0.1118","0.1156","","","","","","1.176","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501076","7.5238","0.0013","10.989","0.002","22.047","0.004","90","","90.787","0.011","90","","1822.7","0.6","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-benzoylpyridinium picrate","","- C18 H12 N4 O8 -","- C18 H12 N4 O8 -","- C72 H48 N16 O32 -","4","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.0787","0.0518","","","0.1362","0.142","","","","","","1.142","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4501077","7.2883","0.0006","8.2345","0.0008","12.1565","0.0012","97.118","0.008","106.61","0.008","91.114","0.007","692.59","0.12","293","2","295","2","","","","","","","","5","P -1","-P 1","2","","3-amino-2-chloropyridinium picrate","","- C11 H8 Cl N5 O7 -","- C11 H8 Cl N5 O7 -","- C22 H16 Cl2 N10 O14 -","2","1","","Stilinović, Vladimir; Kaitner, Branko","Hydrogen Bonding in Pyridinium Picrates: From Discrete Ion Pairs to 3D Networks","Crystal Growth & Design","2011","11","9","4110","","10.1021/cg200684x","","","0.71073","MoKα","","0.048","0.0413","","","0.1229","0.1269","","","","","","1.115","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501078","25.439","0.004","10.5693","0.0016","14.524","0.002","90","","90","","90","","3905.1","1","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H44 Cd2 N6 O19 -","- C32 H40 Cd2 N6 O19 -","- C128 H160 Cd8 N24 O76 -","4","1","","Farnum, Gregory A.; Gandolfo, Chaun M.; Supkowski, Ronald M.; LaDuca, Robert L.","Divalent Metal Aliphatic Tricarboxylate Dipyridylamine Coordination Polymers with New or Rare Binodal Topologies","Crystal Growth & Design","2011","11","11","4860","","10.1021/cg2006869","","","0.71073","MoKα","","0.0511","0.045","","","0.1033","0.1062","","","","","","1.115","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501079","7.726","0.003","8.87","0.003","14.216","0.005","84.897","0.004","79.723","0.004","73.883","0.004","920.1","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 Cd3 N6 O18 -","- C32 H36 Cd3 N6 O18 -","- C32 H36 Cd3 N6 O18 -","1","0.5","","Farnum, Gregory A.; Gandolfo, Chaun M.; Supkowski, Ronald M.; LaDuca, Robert L.","Divalent Metal Aliphatic Tricarboxylate Dipyridylamine Coordination Polymers with New or Rare Binodal Topologies","Crystal Growth & Design","2011","11","11","4860","","10.1021/cg2006869","","","0.71073","MoKα","","0.0641","0.0486","","","0.1031","0.1099","","","","","","1.152","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501080","27.2048","0.0005","8.5966","0.0001","17.9747","0.0003","90","","122.954","0.001","90","","3527.37","0.1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 N6 O14 Zn3 -","- C32 H32 N6 O14 Zn3 -","- C128 H128 N24 O56 Zn12 -","4","0.5","","Farnum, Gregory A.; Gandolfo, Chaun M.; Supkowski, Ronald M.; LaDuca, Robert L.","Divalent Metal Aliphatic Tricarboxylate Dipyridylamine Coordination Polymers with New or Rare Binodal Topologies","Crystal Growth & Design","2011","11","11","4860","","10.1021/cg2006869","","","0.71073","MoKα","","0.0341","0.0279","","","0.0677","0.0705","","","","","","1.064","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501081","9.877","0.0006","10.7365","0.0006","15.2604","0.0009","90","","101.916","0.003","90","","1583.41","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 Cu N3 O6 -","- C16 H15 Cu N3 O6 -","- C64 H60 Cu4 N12 O24 -","4","1","","Farnum, Gregory A.; Gandolfo, Chaun M.; Supkowski, Ronald M.; LaDuca, Robert L.","Divalent Metal Aliphatic Tricarboxylate Dipyridylamine Coordination Polymers with New or Rare Binodal Topologies","Crystal Growth & Design","2011","11","11","4860","","10.1021/cg2006869","","","0.71073","MoKα","","0.0683","0.0498","","","0.1075","0.1175","","","","","","1.034","","","","has coordinates,has disorder","179541","2020-10-21","18:00:00",""
"4501082","8.15","0.004","12.611","0.006","13.746","0.007","110.023","0.014","105.456","0.015","98.199","0.015","1236","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H44 N2 O17 -","- C58 H40 N2 O16 -","- C58 H40 N2 O16 -","1","0.5","","Roy, Sandipan; Biradha, Kumar","Two-Component Supramolecular Organic Hosts as Colorimetric Indicators for Aromatic Guests: Visual Molecular Recognition via Cation−π Interactions","Crystal Growth & Design","2011","11","9","4120","","10.1021/cg200690c","","","0.71073","MoKα","","0.1886","0.071","","","0.1395","0.1852","","","","","","0.785","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501083","8.154","0.003","13.877","0.005","22.904","0.009","82.541","0.011","87.688","0.012","73.624","0.012","2465.5","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C59 H44 N2 O17 -","- C58 H39 N2 O16 -","- C116 H78 N4 O32 -","2","1","","Roy, Sandipan; Biradha, Kumar","Two-Component Supramolecular Organic Hosts as Colorimetric Indicators for Aromatic Guests: Visual Molecular Recognition via Cation−π Interactions","Crystal Growth & Design","2011","11","9","4120","","10.1021/cg200690c","","","0.71073","MoKα","","0.1761","0.0801","","","0.2014","0.235","","","","","","1.06","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501084","8.0203","0.0011","12.7391","0.0018","14.0636","0.0019","114.499","0.004","100.823","0.004","98.386","0.004","1243.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H40 N2 O16 -","- C60 H40 N2 O16 -","- C60 H40 N2 O16 -","1","0.5","","Roy, Sandipan; Biradha, Kumar","Two-Component Supramolecular Organic Hosts as Colorimetric Indicators for Aromatic Guests: Visual Molecular Recognition via Cation−π Interactions","Crystal Growth & Design","2011","11","9","4120","","10.1021/cg200690c","","","0.71073","MoKα","","0.1114","0.0568","","","0.1458","0.1698","","","","","","0.954","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501085","13.5901","0.0012","7.9936","0.0007","21.335","0.0019","90","","90.121","0.003","90","","2317.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C56 H38 N2 O16 -","- C56 H36 N2 O16 -","- C112 H72 N4 O32 -","2","0.5","","Roy, Sandipan; Biradha, Kumar","Two-Component Supramolecular Organic Hosts as Colorimetric Indicators for Aromatic Guests: Visual Molecular Recognition via Cation−π Interactions","Crystal Growth & Design","2011","11","9","4120","","10.1021/cg200690c","","","0.71073","MoKα","","0.0792","0.0546","","","0.1676","0.1809","","","","","","1.263","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501086","13.799","0.003","8.2058","0.0016","20.873","0.004","90","","90.402","0.006","90","","2363.4","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H38 N2 O16 -","- C58 H38 N2 O16 -","- C116 H76 N4 O32 -","2","0.5","","Roy, Sandipan; Biradha, Kumar","Two-Component Supramolecular Organic Hosts as Colorimetric Indicators for Aromatic Guests: Visual Molecular Recognition via Cation−π Interactions","Crystal Growth & Design","2011","11","9","4120","","10.1021/cg200690c","","","0.71073","MoKα","","0.1898","0.0758","","","0.1672","0.2153","","","","","","0.803","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501087","8.1441","0.0007","12.4229","0.0011","12.5539","0.0017","113.319","0.003","96.264","0.003","106.516","0.002","1082.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H36 N2 O18 -","- C42 H28 N2 O16 -","- C42 H28 N2 O16 -","1","0.5","","Roy, Sandipan; Biradha, Kumar","Two-Component Supramolecular Organic Hosts as Colorimetric Indicators for Aromatic Guests: Visual Molecular Recognition via Cation−π Interactions","Crystal Growth & Design","2011","11","9","4120","","10.1021/cg200690c","","","0.71073","MoKα","","0.0518","0.0441","","","0.1519","0.1584","","","","","","1.209","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501088","8.103","0.003","12.474","0.008","12.498","0.005","112.704","0.019","106.631","0.014","96.29","0.02","1081.5","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H38 N2 O18 -","- C42 H28 N2 O16 -","- C42 H28 N2 O16 -","1","0.5","","Roy, Sandipan; Biradha, Kumar","Two-Component Supramolecular Organic Hosts as Colorimetric Indicators for Aromatic Guests: Visual Molecular Recognition via Cation−π Interactions","Crystal Growth & Design","2011","11","9","4120","","10.1021/cg200690c","","","0.71073","MoKα","","0.0609","0.0467","","","0.1435","0.155","","","","","","1.169","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501089","12.7869","0.001","14.4399","0.0012","14.8308","0.0012","116.417","0.002","96.957","0.002","109.554","0.002","2189.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H38 N2 O18 -","- C49 H29 N2 O18 -","- C98 H58 N4 O36 -","2","1","","Roy, Sandipan; Biradha, Kumar","Two-Component Supramolecular Organic Hosts as Colorimetric Indicators for Aromatic Guests: Visual Molecular Recognition via Cation−π Interactions","Crystal Growth & Design","2011","11","9","4120","","10.1021/cg200690c","","","0.71073","MoKα","","0.1331","0.0693","","","0.1665","0.1961","","","","","","0.907","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501090","12.872","0.003","14.222","0.004","14.895","0.006","115.035","0.01","96.909","0.01","110.169","0.007","2202.6","1.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H38 N2 O18 -","- C42 H20 N2 O16 -","- C84 H40 N4 O32 -","2","1","","Roy, Sandipan; Biradha, Kumar","Two-Component Supramolecular Organic Hosts as Colorimetric Indicators for Aromatic Guests: Visual Molecular Recognition via Cation−π Interactions","Crystal Growth & Design","2011","11","9","4120","","10.1021/cg200690c","","","0.71073","MoKα","","0.1194","0.0697","","","0.1747","0.1951","","","","","","0.985","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501091","8.0922","0.001","12.4611","0.0015","12.587","0.002","113.496","0.005","96.338","0.005","106.722","0.004","1077.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H33 Cl N2 O16 -","- C48 H28 Cl N2 O16 -","- C48 H28 Cl N2 O16 -","1","0.5","","Roy, Sandipan; Biradha, Kumar","Two-Component Supramolecular Organic Hosts as Colorimetric Indicators for Aromatic Guests: Visual Molecular Recognition via Cation−π Interactions","Crystal Growth & Design","2011","11","9","4120","","10.1021/cg200690c","","","0.71073","MoKα","","0.1418","0.0635","","","0.1455","0.1871","","","","","","0.958","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501092","9.82","0.007","15.382","0.004","17.779","0.008","90","","121.11","0.02","90","","2299","2","294","","294","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H15 Br2 Cl3 N2 S -","- C23 H15 Br2 Cl3 N2 S -","- C92 H60 Br8 Cl12 N8 S4 -","4","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Enhanced Guest Inclusion by a Sulfur-Containing Diquinoline Host","Crystal Growth & Design","2011","11","10","4474","","10.1021/cg2006937","","","0.71073","MoKα","","","0.036","","","","0.044","","","","","","1.3","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501093","9.969","0.006","23.061","0.006","10.47","0.007","90","","110.26","0.03","90","","2258","2","294","","294","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 Br2 Cl2 N2 S -","- C23 H16 Br2 Cl2 N2 S -","- C92 H64 Br8 Cl8 N8 S4 -","4","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Enhanced Guest Inclusion by a Sulfur-Containing Diquinoline Host","Crystal Growth & Design","2011","11","10","4474","","10.1021/cg2006937","","","0.71073","MoKα","","","0.053","","","","0.058","","","","","","1.68","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501094","9.487","0.004","12.439","0.003","18.869","0.008","90","","118.19","0.02","90","","1962.6","1.3","294","","294","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Br2 N2 O S -","- C22 H16 Br2 N2 O S -","- C88 H64 Br8 N8 O4 S4 -","4","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Enhanced Guest Inclusion by a Sulfur-Containing Diquinoline Host","Crystal Growth & Design","2011","11","10","4474","","10.1021/cg2006937","","","0.71073","MoKα","","","0.04","","","","0.047","","","","","","1.42","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501095","9.835","0.004","10.43","0.005","11.986","0.005","101.67","0.02","91.2","0.03","107.55","0.02","1143.6","0.9","294","","294","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 Br2 N2 O S -","- C26 H18 Br2 N2 O S -","- C52 H36 Br4 N4 O2 S2 -","2","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Enhanced Guest Inclusion by a Sulfur-Containing Diquinoline Host","Crystal Growth & Design","2011","11","10","4474","","10.1021/cg2006937","","","0.71073","MoKα","","","0.045","","","","0.086","","","","","","1.79","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501096","10.05","0.004","23.143","0.008","10.601","0.005","90","","111.38","0.03","90","","2296","1.7","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 Br4 N2 S -","- C23 H16 Br4 N2 S -","- C92 H64 Br16 N8 S4 -","4","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Enhanced Guest Inclusion by a Sulfur-Containing Diquinoline Host","Crystal Growth & Design","2011","11","10","4474","","10.1021/cg2006937","","","0.71073","MoKα","","","0.06","","","","0.074","","","","","","1.7","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501097","18.882","0.008","7.719","0.003","13.205","0.005","90","","98.93","0.02","90","","1901.3","1.3","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Br2 N2 S -","- C22 H14 Br2 N2 S -","- C88 H56 Br8 N8 S4 -","4","1","","Alshahateet, Solhe F.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Enhanced Guest Inclusion by a Sulfur-Containing Diquinoline Host","Crystal Growth & Design","2011","11","10","4474","","10.1021/cg2006937","","","0.71073","MoKα","","","0.038","","","","0.051","","","","","","1.69","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501098","19.323","0.005","84.57","0.02","5.0562","0.0013","90","","90","","90","","8263","4","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C18 H30 N2 O7 S -","- C18 H30 N2 O7 S -","- C288 H480 N32 O112 S16 -","16","1","","Sun, Di; Li, Yun-Hua; Hao, Hong-Jun; Liu, Fu-Jing; Wen, Yi-Mei; Huang, Rong-Bin; Zheng, Lan-Sun","Solvent-Controlled Rare Case of a Triple Helical Molecular Braid Assembled from Proton-Transferred Sebacic Acid","Crystal Growth & Design","2011","11","8","3323","","10.1021/cg2006953","","","0.71073","MoKα","","0.0546","0.0519","","","0.1261","0.1284","","","","","","1.043","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501099","7.283","0.003","10.528","0.004","10.592","0.004","108.699","0.006","103.443","0.006","107.806","0.005","681.5","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H34 N4 O6 S2 -","- C26 H34 N4 O6 S2 -","- C26 H34 N4 O6 S2 -","1","0.5","","Sun, Di; Li, Yun-Hua; Hao, Hong-Jun; Liu, Fu-Jing; Wen, Yi-Mei; Huang, Rong-Bin; Zheng, Lan-Sun","Solvent-Controlled Rare Case of a Triple Helical Molecular Braid Assembled from Proton-Transferred Sebacic Acid","Crystal Growth & Design","2011","11","8","3323","","10.1021/cg2006953","","","0.71073","MoKα","","0.0538","0.0453","","","0.1249","0.1299","","","","","","1.034","","","","has coordinates","179541","2020-10-21","18:00:00",""
"4501100","6.6247","0.0009","8.1841","0.001","31.834","0.004","87.327","0.004","87.833","0.003","89.486","0.004","1722.8","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N O2 -","- C20 H21 N O2 -","- C80 H84 N4 O8 -","4","2","","Porada, Jan H.; Neudörfl, Jörg; Blunk, Dirk","Synthesis and Supramolecular Organization of 5-(4-Alkylphenyl)isatin","Crystal Growth & Design","2011","11","8","3648","","10.1021/cg200700r","","","0.71073","MoKα","","0.1449","0.053","","","0.1116","0.1473","","","","","","0.968","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501101","27.5139","0.0002","27.5139","0.0002","27.5139","0.0002","90","","90","","90","","20828.4","0.3","150","2","150","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C156 H204 Cl6 Co6 N42 O72 -","- C156 H132 Cl6 Co6 N42 O72 -","- C624 H528 Cl24 Co24 N168 O288 -","4","0.166667","","Liu, Yu; Pan, Mei; Li, Kang; Yan, Cheng; Shen, Yong; Zhao, Cun-Yuan; Wang, Wei; Su, Cheng-Yong","Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand","Crystal Growth & Design","2011","11","11","4876","","10.1021/cg200701j","","","1.54178","CuKα","","0.145","0.0888","","","0.2043","0.2282","","","","","","1.067","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501102","27.4578","0.0003","27.4578","0.0003","27.4578","0.0003","90","","90","","90","","20701.3","0.4","571","2","571","2","","","","","","","","8","P a -3","-P 2ac 2ab 3","205","","","","- C157 H151 B6 Cl3 Co6 F24 N42 O21 -","- C157 H133 B6 Cl3 Co6 F24 N42 O21 -","- C628 H532 B24 Cl12 Co24 F96 N168 O84 -","4","0.166667","","Liu, Yu; Pan, Mei; Li, Kang; Yan, Cheng; Shen, Yong; Zhao, Cun-Yuan; Wang, Wei; Su, Cheng-Yong","Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand","Crystal Growth & Design","2011","11","11","4876","","10.1021/cg200701j","","","0.71073","MoKα","","0.2071","0.1216","","","0.2637","0.3094","","","","","","1.056","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501103","27.689","0.005","27.689","0.005","27.689","0.005","90","0.005","90","0.005","90","0.005","21229","7","293","2","293","2","","","","","","","","6","P a -3","-P 2ac 2ab 3","205","","","","- C316 H328 Cl24 N84 O102 Zn12 -","- C316 H268 Cl24 N84 O102 Zn12 -","- C632 H536 Cl48 N168 O204 Zn24 -","2","0.0833333","","Liu, Yu; Pan, Mei; Li, Kang; Yan, Cheng; Shen, Yong; Zhao, Cun-Yuan; Wang, Wei; Su, Cheng-Yong","Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand","Crystal Growth & Design","2011","11","11","4876","","10.1021/cg200701j","","","0.71069","MoKα","","0.156","0.0589","","","0.1287","0.1411","","","","","","1.006","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501104","27.314","0.0001","27.314","0.0001","27.314","0.0001","90","","90","","90","","20377.7","0.13","150","2","150","2","","","","","","","","7","P a -3","-P 2ac 2ab 3","205","","","","- C156 H236 B6 F24 N42 O64 Zn6 -","- C156 H132 B6 F24 N42 O64 Zn6 -","- C624 H528 B24 F96 N168 O256 Zn24 -","4","0.166667","","Liu, Yu; Pan, Mei; Li, Kang; Yan, Cheng; Shen, Yong; Zhao, Cun-Yuan; Wang, Wei; Su, Cheng-Yong","Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand","Crystal Growth & Design","2011","11","11","4876","","10.1021/cg200701j","","","0.71073","MoKα","","0.1174","0.0678","","","0.1846","0.198","","","","","","0.968","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501105","12.976","0.003","18.312","0.004","12.976","0.004","90","","93.68","","90","","3077","1.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H60 Cl2 N14 Ni2 O18 -","- C54 H56 Cl2 N14 Ni2 O18 -","- C108 H112 Cl4 N28 Ni4 O36 -","2","0.5","","Liu, Yu; Pan, Mei; Li, Kang; Yan, Cheng; Shen, Yong; Zhao, Cun-Yuan; Wang, Wei; Su, Cheng-Yong","Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand","Crystal Growth & Design","2011","11","11","4876","","10.1021/cg200701j","","","0.71073","MoKα","","0.1205","0.0687","","","0.1726","0.2158","","","","","","1.036","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501106","12.7327","0.0002","18.3419","0.0003","13.1949","0.0003","90","","93.415","0.002","90","","3076.09","0.1","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C56 H64 B2 F8 N14 Ni2 O10 -","- C56 H64 B2 F8 N14 Ni2 O10 -","- C112 H128 B4 F16 N28 Ni4 O20 -","2","0.5","","Liu, Yu; Pan, Mei; Li, Kang; Yan, Cheng; Shen, Yong; Zhao, Cun-Yuan; Wang, Wei; Su, Cheng-Yong","Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand","Crystal Growth & Design","2011","11","11","4876","","10.1021/cg200701j","","","0.71073","MoKα","","0.0585","0.0452","","","0.1025","0.109","","","","","","1.05","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501107","11.9528","0.0003","12.8507","0.0002","18.566","0.0004","90","","100.913","0.002","90","","2800.2","0.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 Cl Mn N7 O8 -","- C27 H27 Cl Mn N7 O8 -","- C108 H108 Cl4 Mn4 N28 O32 -","4","1","","Liu, Yu; Pan, Mei; Li, Kang; Yan, Cheng; Shen, Yong; Zhao, Cun-Yuan; Wang, Wei; Su, Cheng-Yong","Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand","Crystal Growth & Design","2011","11","11","4876","","10.1021/cg200701j","","","1.54178","CuKα","","0.0673","0.0467","","","0.1299","0.1499","","","","","","0.985","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501108","11.9008","0.0007","12.8446","0.0005","18.4671","0.0009","90","","101.537","0.005","90","","2765.9","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 B F4 Mn N7 O4 -","- C27 H25 B F4 Mn N7 O4 -","- C108 H100 B4 F16 Mn4 N28 O16 -","4","1","","Liu, Yu; Pan, Mei; Li, Kang; Yan, Cheng; Shen, Yong; Zhao, Cun-Yuan; Wang, Wei; Su, Cheng-Yong","Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand","Crystal Growth & Design","2011","11","11","4876","","10.1021/cg200701j","","","0.71073","MoKα","","0.1434","0.0623","","","0.1164","0.1331","","","","","","0.918","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501109","11.9593","0.0003","13.0459","0.0002","18.4832","0.0003","90","","100.952","0.002","90","","2831.22","0.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 Cd Cl N7 O8 -","- C27 H28 Cd Cl N7 O8 -","- C108 H112 Cd4 Cl4 N28 O32 -","4","1","","Liu, Yu; Pan, Mei; Li, Kang; Yan, Cheng; Shen, Yong; Zhao, Cun-Yuan; Wang, Wei; Su, Cheng-Yong","Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand","Crystal Growth & Design","2011","11","11","4876","","10.1021/cg200701j","","","1.54178","CuKα","","0.0636","0.0478","","","0.1087","0.1176","","","","","","1.095","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501110","11.8611","0.0005","13.0368","0.0003","18.4127","0.0005","90","","101.432","0.004","90","","2790.68","0.16","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 B Cd F4 N7 O4 -","- C27 H25 B Cd F4 N7 O4 -","- C108 H100 B4 Cd4 F16 N28 O16 -","4","1","","Liu, Yu; Pan, Mei; Li, Kang; Yan, Cheng; Shen, Yong; Zhao, Cun-Yuan; Wang, Wei; Su, Cheng-Yong","Metal-Directed Assembly of Hexameric Ring, Dimeric Ring and 1D Chain from a Branched Tripodal Ligand","Crystal Growth & Design","2011","11","11","4876","","10.1021/cg200701j","","","1.54178","CuKα","","0.0786","0.0495","","","0.1188","0.1365","","","","","","0.969","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501111","6.4339","0.0005","27.667","0.003","9.9155","0.001","90","","90.12","0.007","90","","1765","0.3","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H22 Ca N2 O10 -","- C14 H22 Ca N2 O10 -","- C56 H88 Ca4 N8 O40 -","4","1","","Morrison, Christine N.; Powell, Annie K.; Kostakis, George E.","Influence of Metal Ion on Structural Motif in Coordination Polymers of the Pseudopeptidic Ligand Terephthaloyl-bis-beta-alaninate","Crystal Growth & Design","2011","11","8","3653","","10.1021/cg2007028","","","0.71073","MoKα","","0.0432","0.0288","","","0.0588","0.0609","","","","","","0.976","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501112","17.442","0.002","10.201","0.0014","9.7027","0.0011","90","","102.073","0.009","90","","1688.2","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Mn N2 O9 -","- C14 H20 Mn N2 O9 -","- C56 H80 Mn4 N8 O36 -","4","1","","Morrison, Christine N.; Powell, Annie K.; Kostakis, George E.","Influence of Metal Ion on Structural Motif in Coordination Polymers of the Pseudopeptidic Ligand Terephthaloyl-bis-beta-alaninate","Crystal Growth & Design","2011","11","8","3653","","10.1021/cg2007028","","","0.71073","MoKα","","0.1809","0.0597","","","0.0869","0.1256","","","","","","0.95","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501113","11.082","0.0013","5.1509","0.0004","17.908","0.002","90","","109.81","0.009","90","","961.74","0.18","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H26 Co N2 O12 -","- C14 H26 Co N2 O12 -","- C28 H52 Co2 N4 O24 -","2","0.5","","Morrison, Christine N.; Powell, Annie K.; Kostakis, George E.","Influence of Metal Ion on Structural Motif in Coordination Polymers of the Pseudopeptidic Ligand Terephthaloyl-bis-beta-alaninate","Crystal Growth & Design","2011","11","8","3653","","10.1021/cg2007028","","","0.71073","MoKα","","0.0243","0.0227","","","0.0663","0.0671","","","","","","1","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501114","9.6718","0.0012","9.9337","0.0012","12.0896","0.0016","78.799","0.01","68.774","0.009","73.441","0.01","1032.4","0.2","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H28 N2 O13 Zn -","- C14 H28 N2 O13 Zn -","- C28 H56 N4 O26 Zn2 -","2","1","","Morrison, Christine N.; Powell, Annie K.; Kostakis, George E.","Influence of Metal Ion on Structural Motif in Coordination Polymers of the Pseudopeptidic Ligand Terephthaloyl-bis-beta-alaninate","Crystal Growth & Design","2011","11","8","3653","","10.1021/cg2007028","","","0.71073","MoKα","","0.0436","0.0274","","","0.0597","0.0625","","","","","","0.987","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501115","7.7321","0.0009","16.199","0.0019","19.558","0.003","90","","101.095","0.012","90","","2403.9","0.6","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 O8 -","- C27 H26 O8 -","- C108 H104 O32 -","4","1","","Sanphui, Palash; Goud, N. Rajesh; Khandavilli, U. B. Rao; Nangia, Ashwini","Fast Dissolving Curcumin Cocrystals","Crystal Growth & Design","2011","11","9","4135","","10.1021/cg200704s","","","0.71073","MoKα","","0.1308","0.0687","","","0.1801","0.2029","","","","","","0.983","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501116","7.3706","0.0006","15.8001","0.001","19.8972","0.0014","90","","92.933","0.007","90","","2314.1","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 O9 -","- C27 H26 O9 -","- C108 H104 O36 -","4","1","","Sanphui, Palash; Goud, N. Rajesh; Khandavilli, U. B. Rao; Nangia, Ashwini","Fast Dissolving Curcumin Cocrystals","Crystal Growth & Design","2011","11","9","4135","","10.1021/cg200704s","","","0.71073","MoKα","","0.167","0.0923","","","0.2304","0.2867","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501117","20.6238","0.0006","16.4559","0.0003","21.8274","0.0006","90","","112.992","0.003","90","","6819.4","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H69 Cu2 N21 O19.5 S4 -","- C56 H64 Cu2 N21 O19.5 S4 -","- C224 H256 Cu8 N84 O78 S16 -","4","1","","Chen, Chun; Ma, Jian-Fang; Liu, Bo; Yang, Jin; Liu, Ying-Ying","Two Unusual 3D Copper(II) Coordination Polymers Constructed by p-Sulfonated Calixarenes and Bis(triazolyl) Ligands","Crystal Growth & Design","2011","11","10","4491","","10.1021/cg2007167","","","0.71073","MoKα","","0.076","0.0371","","","0.0781","0.0832","","","","","","0.823","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4501118","13.6903","0.0012","13.2671","0.0012","37.029","0.003","90","","99.371","0.002","90","","6635.8","1","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C96 H123 Cu5 N30 O47.5 S8 -","- C96 H72 Cu5 N30 O47.5 S8 -","- C192 H144 Cu10 N60 O95 S16 -","2","0.5","","Chen, Chun; Ma, Jian-Fang; Liu, Bo; Yang, Jin; Liu, Ying-Ying","Two Unusual 3D Copper(II) Coordination Polymers Constructed by p-Sulfonated Calixarenes and Bis(triazolyl) Ligands","Crystal Growth & Design","2011","11","10","4491","","10.1021/cg2007167","","","0.71073","MoKα","","0.1228","0.0721","","","0.1694","0.193","","","","","","1.174","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4501119","7.0917","0.0013","12.28","0.003","11.4693","0.0018","90","","90","","90","","998.8","0.3","296","2","293","2","1013.25","","","","","","","4","C m c 21","C 2c -2","36","1,4-diazabicyclo[2.2.2]octane dihydrobromide, dabco dihydrobromide, dabco2HBr","1,4-diazabicyclo[2.2.2]octane dihydrobromide","","- C6 H14 Br2 N2 -","- C6 H14 Br2 N2 -","- C24 H56 Br8 N8 -","4","0.5","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Humidity Control of Isostructural Dehydration and Pressure-Induced Polymorphism in 1,4-Diazabicyclo[2.2.2]octane Dihydrobromide Monohydrate","Crystal Growth & Design","2011","11","11","4892","","10.1021/cg200743n","","","0.71073","MoKα","","0.186","0.1259","","","0.3407","0.3557","","","","","","1.175","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501120","14.3848","0.0018","12.4619","0.0012","11.3029","0.0011","90","","90","","90","","2026.2","0.4","296","2","296","2","","","","","","","","5","P b c 21","P 2c -2b","29","1,4-diazabicyclo[2.2.2]octane dihydrobromide semihydrate, dabco2HBr*0.5H2O","1,4-diazabicyclo[2.2.2]octane dihydrobromide semihydrate","","- C6 H15 Br2 N2 O0.5 -","- C6 H15 Br2 N2 O0.5 -","- C48 H120 Br16 N16 O4 -","8","2","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Humidity Control of Isostructural Dehydration and Pressure-Induced Polymorphism in 1,4-Diazabicyclo[2.2.2]octane Dihydrobromide Monohydrate","Crystal Growth & Design","2011","11","11","4892","","10.1021/cg200743n","","","0.71073","MoKα","","0.0645","0.0355","","","0.0572","0.0595","","","","","","0.972","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501121","15.015","0.003","12.486","0.002","11.2364","0.0016","90","","90","","90","","2106.6","0.6","293","2","296","2","","","","","","","","5","P b c 21","P 2c -2b","29","dabco dihydrobromide monohydrate, dabco2HBr*H2O","1,4-diazabicyclo[2.2.2]octane dihydrobromide monohydrate","","- C6 H16 Br2 N2 O -","- C6 H16 Br2 N2 O -","- C48 H128 Br16 N16 O8 -","8","2","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Humidity Control of Isostructural Dehydration and Pressure-Induced Polymorphism in 1,4-Diazabicyclo[2.2.2]octane Dihydrobromide Monohydrate","Crystal Growth & Design","2011","11","11","4892","","10.1021/cg200743n","","","0.71073","MoKα","","0.1705","0.1059","","","0.3029","0.3203","","","","","","0.99","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501122","7.185","0.003","12.382","0.006","11.119","0.003","90","","90","","90","","989.2","0.7","296","2","296","2","480000","","","","","","","5","C m c 21","C 2c -2","36","dabco dihydrobromide monohydrate, dabco2HBr*H2O","1,4-diazabicyclo[2.2.2]octane dihydrobromide monohydrate","","- C6 H16 Br2 N2 O -","- C6 H16 Br2 N2 O -","- C24 H64 Br8 N8 O4 -","4","0.5","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Humidity Control of Isostructural Dehydration and Pressure-Induced Polymorphism in 1,4-Diazabicyclo[2.2.2]octane Dihydrobromide Monohydrate","Crystal Growth & Design","2011","11","11","4892","","10.1021/cg200743n","","","0.71073","MoKα","","0.0845","0.064","","","0.1349","0.1446","","","","","","1.102","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501123","6.516","0.004","12.037","0.003","6.792","0.003","90","","113.06","0.05","90","","490.2","0.4","296","2","296","2","780000","","","","","","","5","P 1 21 1","P 2yb","4","dabco dihydrobromide monohydrate, dabco2HBr*H2O","1,4-diazabicyclo[2.2.2]octane dihydrobromide monohydrate","","- C6 H16 Br2 N2 O -","- C6 H16 Br2 N2 O -","- C12 H32 Br4 N4 O2 -","2","1","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Humidity Control of Isostructural Dehydration and Pressure-Induced Polymorphism in 1,4-Diazabicyclo[2.2.2]octane Dihydrobromide Monohydrate","Crystal Growth & Design","2011","11","11","4892","","10.1021/cg200743n","","","0.71073","MoKα","","0.049","0.0322","","","0.0577","0.0617","","","","","","1.009","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501124","7.2844","0.0019","10.918","0.004","5.663","0.004","90","","90","","90","","450.4","0.4","296","2","296","2","1500000","","","","","","","5","P m m n :2","-P 2ab 2a","59","dabco dihydrobromide monohydrate, dabco2HBr*H2O","1,4-diazabicyclo[2.2.2]octane dihydrobromide monohydrate","","- C6 H16 Br2 N2 O -","- C6 H16 Br2 N2 O -","- C12 H32 Br4 N4 O2 -","2","0.25","","Andrzejewski, Michał; Olejniczak, Anna; Katrusiak, Andrzej","Humidity Control of Isostructural Dehydration and Pressure-Induced Polymorphism in 1,4-Diazabicyclo[2.2.2]octane Dihydrobromide Monohydrate","Crystal Growth & Design","2011","11","11","4892","","10.1021/cg200743n","","","0.71073","MoKα","","0.0608","0.0532","","","0.1308","0.1396","","","","","","1.175","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501125","14.707","0.011","11.252","0.008","16.704","0.009","90","","117.08","0.05","90","","2461","3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Cu2 N2 O9 -","- C26 H16 Cu2 N2 O8.999 -","- C104 H64 Cu8 N8 O35.996 -","4","0.5","","Tian, Hua; Wang, Kun; Jia, Qin-Xiang; Sun, Qian; Ma, Yu; Gao, En-Qing","Selective Incorporation of Auxiliary Organic Ligands in Metal‒Organic Frameworks Based on Twisted Π-Shaped Building Blocks","Crystal Growth & Design","2011","11","12","5167","","10.1021/cg200752v","","","0.71073","MoKα","","0.0441","0.0379","","","0.1137","0.1159","","","","","","1.236","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501126","14.8192","0.0005","11.0158","0.0004","16.5703","0.0007","90","","115.472","0.001","90","","2442.08","0.16","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H18 Cu2 N2 O9 -","- C28 H16 Cu2 N2 O9 -","- C112 H64 Cu8 N8 O36 -","4","0.5","","Tian, Hua; Wang, Kun; Jia, Qin-Xiang; Sun, Qian; Ma, Yu; Gao, En-Qing","Selective Incorporation of Auxiliary Organic Ligands in Metal‒Organic Frameworks Based on Twisted Π-Shaped Building Blocks","Crystal Growth & Design","2011","11","12","5167","","10.1021/cg200752v","","","0.71073","MoKα","","0.0405","0.0368","","","0.103","0.1067","","","","","","1.178","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501127","14.7964","0.0006","11.0068","0.0005","16.5455","0.001","90","","115.37","0.001","90","","2434.7","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 Cu2 N2 O9 -","- C28 H18 Cu2 N2 O9 -","- C112 H72 Cu8 N8 O36 -","4","0.5","","Tian, Hua; Wang, Kun; Jia, Qin-Xiang; Sun, Qian; Ma, Yu; Gao, En-Qing","Selective Incorporation of Auxiliary Organic Ligands in Metal‒Organic Frameworks Based on Twisted Π-Shaped Building Blocks","Crystal Growth & Design","2011","11","12","5167","","10.1021/cg200752v","","","0.71073","MoKα","","0.0795","0.0462","","","0.1182","0.1388","","","","","","1.034","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501128","14.5281","0.001","21.3432","0.0011","24.6908","0.0013","90","","118.168","0.003","90","","6749.3","0.7","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H64 N2 Ni2 O12 S20 -","- C50 H64 N2 Ni2 O12 S20 -","- C200 H256 N8 Ni8 O48 S80 -","4","1","","Ye, Qiong; Akutagawa, Tomoyuki; Hoshino, Norihisa; Kikuchi, Takemitsu; Noro, Shin-ichiro; Xiong, Ren-Gen; Nakamura, Takayoshi","Polymorphs and Structural Phase Transition of [Ni(dmit)2]−Crystals Induced by Flexible (trans-Cyclohexane-1,4-diammonium)(Benzo[18]crown-6)2Supramolecule","Crystal Growth & Design","2011","11","9","4175","","10.1021/cg2007556","","","0.71075","MoKα","","0.25","0.0832","","","0.1463","0.2075","","","","","","0.888","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501129","10.6","0.0008","12.8561","0.0011","12.9623","0.0011","82.258","0.003","79.614","0.003","89.305","0.003","1721.5","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H32 N Ni O6 S10 -","- C25 H32 N Ni O6 S10 -","- C50 H64 N2 Ni2 O12 S20 -","2","1","","Ye, Qiong; Akutagawa, Tomoyuki; Hoshino, Norihisa; Kikuchi, Takemitsu; Noro, Shin-ichiro; Xiong, Ren-Gen; Nakamura, Takayoshi","Polymorphs and Structural Phase Transition of [Ni(dmit)2]−Crystals Induced by Flexible (trans-Cyclohexane-1,4-diammonium)(Benzo[18]crown-6)2Supramolecule","Crystal Growth & Design","2011","11","9","4175","","10.1021/cg2007556","","","0.71075","MoKα","","","0.0403","","","","0.0616","","","","","","1.163","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501130","11.6603","0.0012","13.1917","0.0011","13.4851","0.0012","108.129","0.002","108.401","0.003","103.634","0.003","1737.5","0.3","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H32 N Ni O6 S10 -","- C25 H28 N Ni O6 S10 -","- C50 H56 N2 Ni2 O12 S20 -","2","1","","Ye, Qiong; Akutagawa, Tomoyuki; Hoshino, Norihisa; Kikuchi, Takemitsu; Noro, Shin-ichiro; Xiong, Ren-Gen; Nakamura, Takayoshi","Polymorphs and Structural Phase Transition of [Ni(dmit)2]−Crystals Induced by Flexible (trans-Cyclohexane-1,4-diammonium)(Benzo[18]crown-6)2Supramolecule","Crystal Growth & Design","2011","11","9","4175","","10.1021/cg2007556","","","0.71075","MoKα","","","0.0409","","","","0.1317","","","","","","1.083","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501131","11.5343","0.0008","13.4589","0.0008","23.1051","0.0011","95.3729","0.0017","91.0352","0.0019","108.93","0.0019","3373.4","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H64 N2 Ni2 O12 S20 -","- C50 H64 N2 Ni2 O12 S20 -","- C100 H128 N4 Ni4 O24 S40 -","2","1","","Ye, Qiong; Akutagawa, Tomoyuki; Hoshino, Norihisa; Kikuchi, Takemitsu; Noro, Shin-ichiro; Xiong, Ren-Gen; Nakamura, Takayoshi","Polymorphs and Structural Phase Transition of [Ni(dmit)2]−Crystals Induced by Flexible (trans-Cyclohexane-1,4-diammonium)(Benzo[18]crown-6)2Supramolecule","Crystal Growth & Design","2011","11","9","4175","","10.1021/cg2007556","","","0.71075","MoKα","","","0.0398","","","","0.0967","","","","","","1.029","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501132","14.7264","0.0006","14.7264","0.0006","14.7264","0.0006","90","","90","","90","","3193.7","0.2","200","2","200","2","","","","","","","","2","F d -3 m :2","-F 4vw 2vw 3","227","","","","- K17.7 Si136 -","- K17.776 Si136 -","- K17.776 Si136 -","1","0.00520833","","Stefanoski, Stevce; Nolas, George S.","Synthesis and Structural Characterization of Single-Crystal K7.5Si46and K17.8Si136Clathrates","Crystal Growth & Design","2011","11","10","4533","","10.1021/cg200756r","","","0.71073","MoKα","","0.0294","0.022","","","0.0547","0.0563","","","","","","1.007","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501133","10.2639","0.0003","10.2639","0.0003","10.2639","0.0003","90","","90","","90","","1081.28","0.05","200","2","200","2","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- K7.46 Si46 -","- K7.464 Si46 -","- K7.464 Si46 -","1","0.0208333","","Stefanoski, Stevce; Nolas, George S.","Synthesis and Structural Characterization of Single-Crystal K7.5Si46and K17.8Si136Clathrates","Crystal Growth & Design","2011","11","10","4533","","10.1021/cg200756r","","","0.71073","MoKα","","0.0131","0.0129","","","0.0337","0.0338","","","","","","1.183","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501134","4.358","0.005","29.45","0.03","6.076","0.005","90","","110.62","0.08","90","","729.9","1.3","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H14 N4 O2 -","- C16 H14 N4 O2 -","- C32 H28 N8 O4 -","2","1","","Prohens, Rafel; Portell, Anna; Puigjaner, Cristina; Tomàs, Salvador; Fujii, Kotaro; Harris, Kenneth D. M.; Alcobé, Xavier; Font-Bardia, Mercè; Barbas, Rafael","Cooperativity in Solid-State Squaramides","Crystal Growth & Design","2011","11","9","3725","","10.1021/cg200772e","","","0.71073","MoKα","","0.093","0.0699","","","0.2093","0.2223","","","","","","1.17","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501135","6.03426","0.00025","10.9211","0.0005","11.9179","0.0006","93.0202","0.0026","103.176","0.0026","92.4776","0.0034","762.43","0.06","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H7 N2 O -","- C8 H7 N2 O -","- C32 H28 N8 O4 -","4","2","","Prohens, Rafel; Portell, Anna; Puigjaner, Cristina; Tomàs, Salvador; Fujii, Kotaro; Harris, Kenneth D. M.; Alcobé, Xavier; Font-Bardia, Mercè; Barbas, Rafael","Cooperativity in Solid-State Squaramides","Crystal Growth & Design","2011","11","9","3725","","10.1021/cg200772e","powder diffraction","x-ray","1.5406","Kα~1~","","","","","","","","0.12563","","2.3","","","","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501136","7.057","0.003","14.776","0.006","15.408","0.006","66.479","0.012","81.914","0.014","80.739","0.014","1448.8","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","3,4,5-trichlorophenol_100K","","","- C6 H3 Cl3 O -","- C6 H3 Cl3 O -","- C48 H24 Cl24 O8 -","8","4","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen Bonding and Structural Modularity in 2,3,4- and 3,4,5-Trichlorophenol","Crystal Growth & Design","2011","11","9","3735","","10.1021/cg2007815","","","0.71073","MoKα","","0.0444","0.0384","","","0.0859","0.0978","","","","","","1.092","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501137","7.086","0.003","14.79","0.006","15.432","0.006","66.489","0.008","81.896","0.013","80.674","0.014","1458.2","1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","3,4,5-trichlorophenol_150K","","","- C6 H3 Cl3 O -","- C6 H3 Cl3 O -","- C48 H24 Cl24 O8 -","8","4","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen Bonding and Structural Modularity in 2,3,4- and 3,4,5-Trichlorophenol","Crystal Growth & Design","2011","11","9","3735","","10.1021/cg2007815","","","0.71073","MoKα","","0.0482","0.0404","","","0.0919","0.105","","","","","","1.09","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501138","7.123","0.004","14.809","0.007","15.437","0.007","66.514","0.017","81.938","0.019","80.525","0.018","1468.1","1.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","3,4,5-trichlorophenol_200K","","","- C6 H3 Cl3 O -","- C6 H3 Cl3 O -","- C48 H24 Cl24 O8 -","8","4","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen Bonding and Structural Modularity in 2,3,4- and 3,4,5-Trichlorophenol","Crystal Growth & Design","2011","11","9","3735","","10.1021/cg2007815","","","0.71073","MoKα","","0.0538","0.0424","","","0.0929","0.1081","","","","","","1.086","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501139","7.168","0.003","14.836","0.007","15.473","0.008","66.562","0.01","81.888","0.016","80.459","0.017","1483.7","1.2","250","2","250","2","","","","","","","","4","P -1","-P 1","2","3,4,5-trichlorophenol_250K","","","- C6 H3 Cl3 O -","- C6 H3 Cl3 O -","- C48 H24 Cl24 O8 -","8","4","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen Bonding and Structural Modularity in 2,3,4- and 3,4,5-Trichlorophenol","Crystal Growth & Design","2011","11","9","3735","","10.1021/cg2007815","","","0.71073","MoKα","","0.0621","0.0467","","","0.106","0.1201","","","","","","1.092","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501140","7.233","0.005","14.89","0.008","15.528","0.008","66.55","0.02","81.9","0.02","80.25","0.02","1507.1","1.5","300","2","300","2","","","","","","","","4","P -1","-P 1","2","3,4,5-trichlorophenol_300K","","","- C6 H3 Cl3 O -","- C6 H3 Cl3 O -","- C48 H24 Cl24 O8 -","8","4","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen Bonding and Structural Modularity in 2,3,4- and 3,4,5-Trichlorophenol","Crystal Growth & Design","2011","11","9","3735","","10.1021/cg2007815","","","0.71073","MoKα","","0.0755","0.0524","","","0.1127","0.1349","","","","","","1.085","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501141","3.801","0.0006","12.7973","0.0017","14.816","0.003","90","","96.902","0.007","90","","715.5","0.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,3,4-Trichlorophenol","","","- C6 H3 Cl3 O -","- C6 H3 Cl3 O -","- C24 H12 Cl12 O4 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen Bonding and Structural Modularity in 2,3,4- and 3,4,5-Trichlorophenol","Crystal Growth & Design","2011","11","9","3735","","10.1021/cg2007815","","","0.71073","MoKα","","0.0363","0.0326","","","0.0842","0.1027","","","","","","1.159","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501142","32.389","0.003","32.389","0.003","3.8113","0.0006","90","","90","","120","","3462.6","0.7","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","2,3,4-trichlorophenol: MeOH","","","- C7 H3 Cl3 O1.33333 -","- C7 H3 Cl3 O1.33333 -","- C126 H54 Cl54 O24 -","18","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen Bonding and Structural Modularity in 2,3,4- and 3,4,5-Trichlorophenol","Crystal Growth & Design","2011","11","9","3735","","10.1021/cg2007815","","","0.71073","MoKα","","0.0507","0.0453","","","0.1173","0.1275","","","","","","1.162","","","","has coordinates","268283","2021-08-30","06:31:23",""
"4501143","13.483","0.0014","12.2021","0.0012","16.7125","0.0017","90","","90","","90","","2749.6","0.5","150","2","150","2","","","","","","","","4","P c a 21","P 2c -2ac","29","4-chlorophenol: 3,4,5-trichlorophenol","","","- C24 H14 Cl10 O4 -","- C24 H14 Cl10 O4 -","- C96 H56 Cl40 O16 -","4","1","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen Bonding and Structural Modularity in 2,3,4- and 3,4,5-Trichlorophenol","Crystal Growth & Design","2011","11","9","3735","","10.1021/cg2007815","","","0.71073","MoKα","","0.0395","0.0382","","","0.1121","0.113","","","","","","1.18","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501144","7.53","0.0009","14.203","0.0017","14.574","0.0017","81.459","0.006","80.154","0.006","78.092","0.006","1492.3","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","2,3,4-trichlorophenol: 3,4,5-trichlorophenol","","","- C12 H6 Cl6 O2 -","- C12 H6 Cl6 O2 -","- C48 H24 Cl24 O8 -","4","2","","Mukherjee, Arijit; Desiraju, Gautam R.","Halogen Bonding and Structural Modularity in 2,3,4- and 3,4,5-Trichlorophenol","Crystal Growth & Design","2011","11","9","3735","","10.1021/cg2007815","","","0.71073","MoKα","","0.0767","0.0566","","","0.1278","0.1376","","","","","","1.061","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501145","13.005","0.002","16.031","0.003","8.1275","0.0014","90","","98.51","0.002","90","","1675.8","0.5","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Cl4 O6 Pb -","- C10 H8 Cl4 O6 Pb -","- C40 H32 Cl16 O24 Pb4 -","4","0.5","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Zhou, Yong-Sheng; Zhou, Wei-You; Li, Yi-Zhi; He, Ming-Yang; Chen, Qun; Du, Miao","Alkali-Metal-Templated Assemblies of New 3D Lead(II) Tetrachloroterephthalate Coordination Frameworks","Crystal Growth & Design","2011","11","9","4190","","10.1021/cg200785g","","","0.71073","MoKα","","0.0264","0.0226","","","0.0489","0.0501","","","","","","1.037","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501146","15.936","0.0014","12.7172","0.0019","8.2753","0.0013","90","","91.752","0.002","90","","1676.3","0.4","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H4 Cl4 Li2 O7 Pb -","- C8 H4 Cl4 Li2 O7 Pb -","- C32 H16 Cl16 Li8 O28 Pb4 -","4","0.5","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Zhou, Yong-Sheng; Zhou, Wei-You; Li, Yi-Zhi; He, Ming-Yang; Chen, Qun; Du, Miao","Alkali-Metal-Templated Assemblies of New 3D Lead(II) Tetrachloroterephthalate Coordination Frameworks","Crystal Growth & Design","2011","11","9","4190","","10.1021/cg200785g","","","0.71073","MoKα","","0.0457","0.0372","","","0.0702","0.0722","","","","","","1.058","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501147","15.898","0.002","12.678","0.003","8.264","0.003","90","","90.136","0.003","90","","1665.6","0.8","291","2","291","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C8 H2 Cl4 Na2 O6 Pb -","- C8 H2 Cl4 Na2 O6 Pb -","- C32 H8 Cl16 Na8 O24 Pb4 -","4","0.5","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Zhou, Yong-Sheng; Zhou, Wei-You; Li, Yi-Zhi; He, Ming-Yang; Chen, Qun; Du, Miao","Alkali-Metal-Templated Assemblies of New 3D Lead(II) Tetrachloroterephthalate Coordination Frameworks","Crystal Growth & Design","2011","11","9","4190","","10.1021/cg200785g","","","0.71073","MoKα","","0.0402","0.0309","","","0.0548","0.0562","","","","","","0.943","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501148","10.4348","0.0007","19.3313","0.0012","18.8959","0.0014","90","","105.998","0.001","90","","3664","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Cl8 N3 O11 Pb2 -","- C25 H21 Cl8 N3 O11 Pb2 -","- C100 H84 Cl32 N12 O44 Pb8 -","4","1","","Chen, Sheng-Chun; Zhang, Zhi-Hui; Zhou, Yong-Sheng; Zhou, Wei-You; Li, Yi-Zhi; He, Ming-Yang; Chen, Qun; Du, Miao","Alkali-Metal-Templated Assemblies of New 3D Lead(II) Tetrachloroterephthalate Coordination Frameworks","Crystal Growth & Design","2011","11","9","4190","","10.1021/cg200785g","","","0.71073","MoKα","","0.0679","0.0358","","","0.0712","0.0804","","","","","","1.018","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501149","8.0111","0.0006","30.61","0.003","18.4518","0.0018","90","","97.264","0.004","90","","4488.4","0.7","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32.5 H20 N4 O0.5 -","- C32.5 H20 N4 O0.5 -","- C260 H160 N32 O4 -","8","2","","Roy, Xavier; Chong, Jonathan H.; Patrick, Brian O.; MacLachlan, Mark J.","Molecular Scaffolding of Prussian Blue Analogues Using a Phenanthroline-Extended Triptycene Ligand","Crystal Growth & Design","2011","11","10","4551","","10.1021/cg200788f","","","0.71073","MoKα","","0.1438","0.0531","","","0.0915","0.1182","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501150","88.779","0.012","8.234","0.0011","27.418","0.004","90","","102.617","0.001","90","","19559","5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C128 H72 Cl4 Cu4 N16 O -","- C128 H72 Cl4 Cu4 N16 O0.5 -","- C1024 H576 Cl32 Cu32 N128 O4 -","8","1","","Roy, Xavier; Chong, Jonathan H.; Patrick, Brian O.; MacLachlan, Mark J.","Molecular Scaffolding of Prussian Blue Analogues Using a Phenanthroline-Extended Triptycene Ligand","Crystal Growth & Design","2011","11","10","4551","","10.1021/cg200788f","","","0.7749","","","0.0902","0.0526","","","0.1192","0.139","","","","","","0.994","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501151","15.5766","0.0014","27.39","0.003","13.5697","0.0012","90","","96.227","0.003","90","","5755.3","1","90","0.1","90","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C69.5 H49 Cu2.5 N9.5 O1.5 -","- C69.526 H48.104 Cu2.5 N10.5 O3.526 -","- C278.104 H192.416 Cu10 N42 O14.104 -","4","1","","Roy, Xavier; Chong, Jonathan H.; Patrick, Brian O.; MacLachlan, Mark J.","Molecular Scaffolding of Prussian Blue Analogues Using a Phenanthroline-Extended Triptycene Ligand","Crystal Growth & Design","2011","11","10","4551","","10.1021/cg200788f","","","1.54178","CuKα","","0.0816","0.0733","","","0.1944","0.2011","","","","","","1.126","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4501152","8.392","0.004","12.451","0.006","29.364","0.014","90","","93.075","0.009","90","","3064","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H56 Cu4 Mo6 N16 O22 -","- C40 H56 Cu4 Mo6 N16 O22 -","- C80 H112 Cu8 Mo12 N32 O44 -","2","0.5","","Xie, Yi-Ming; Yu, Rong-Ming; Wu, Xiao-Yuan; Wang, Fei; Zhang, Jian; Lu, Can-Zhong","Synthesis, Structure, and Magnetic Properties of a Novel Polyoxometalate‒Organic Framework with Unusual (5,6)-Connected Topology","Crystal Growth & Design","2011","11","11","4739","","10.1021/cg200791k","","","0.71073","MoKα","","0.0983","0.0758","","","0.1885","0.2078","","","","","","1.04","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501153","5.1842","0.0005","8.5087","0.0009","19.5787","0.0019","89.508","0.006","85.077","0.007","80.522","0.006","848.69","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H38 N4 O10 Zn -","- C36 H38 N4 O10 Zn -","- C36 H38 N4 O10 Zn -","1","0.5","","Hogan, Greg A.; Rath, Nigam P.; Beatty, Alicia M.","A Stable Hydrogen-Bonded Coordination Network with Removable Guests","Crystal Growth & Design","2011","11","9","3740","","10.1021/cg200793f","","","0.71073","MoKα","","0.051","0.0407","","","0.0981","0.1039","","","","","","1.031","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501154","5.2035","0.0002","8.3292","0.0003","19.7543","0.0007","90.091","0.001","94.646","0.001","100.087","0.001","840.06","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 N5 O12 Zn -","- C34 H33 N5 O12 Zn -","- C34 H33 N5 O12 Zn -","1","0.5","","Hogan, Greg A.; Rath, Nigam P.; Beatty, Alicia M.","A Stable Hydrogen-Bonded Coordination Network with Removable Guests","Crystal Growth & Design","2011","11","9","3740","","10.1021/cg200793f","","","0.71073","MoKα","","0.0393","0.0362","","","0.0939","0.0962","","","","","","1.05","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501155","5.2571","0.0008","8.2727","0.0013","19.632","0.004","91.072","0.009","96.028","0.009","99.886","0.008","835.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H42 N4 O11 Zn -","- C34 H42 N4 O11 Zn -","- C34 H42 N4 O11 Zn -","1","0.5","","Hogan, Greg A.; Rath, Nigam P.; Beatty, Alicia M.","A Stable Hydrogen-Bonded Coordination Network with Removable Guests","Crystal Growth & Design","2011","11","9","3740","","10.1021/cg200793f","","","0.71073","MoKα","","0.1002","0.0834","","","0.2107","0.2266","","","","","","1.016","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501156","5.175","0.0009","8.3571","0.0013","19.712","0.004","90.174","0.007","95.13","0.007","100.135","0.007","835.7","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H34 N4 O11 Zn -","- C31 H34 N4 O11 Zn -","- C31 H34 N4 O11 Zn -","1","0.5","","Hogan, Greg A.; Rath, Nigam P.; Beatty, Alicia M.","A Stable Hydrogen-Bonded Coordination Network with Removable Guests","Crystal Growth & Design","2011","11","9","3740","","10.1021/cg200793f","","","0.71073","MoKα","","0.0828","0.0733","","","0.1957","0.206","","","","","","1.042","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501157","11.402","0.005","13.866","0.005","21.902","0.009","75.871","0.013","77.874","0.012","72.202","0.012","3163","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C132 H98 Cd6 N12 O35 -","- C132 H98 Cd6 N12 O35 -","- C132 H98 Cd6 N12 O35 -","1","0.5","","Li, Lina; Luo, Junhua; Wang, Shuyun; Sun, Zhihua; Chen, Tianliang; Hong, Maochun","A Unique Independent One-Dimensional Green Luminescent Coordination Polymer Nanotube Based on an Unsymmetric Tricarboxylate Linker","Crystal Growth & Design","2011","11","9","3744","","10.1021/cg200796h","","","0.71073","MoKα","","0.1132","0.0701","","","0.1645","0.1965","","","","","","1.044","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501158","8.654","0.0004","20.971","0.0009","8.85","0.0004","90","","110.397","0.002","90","","1505.42","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(4,5,6,7-Tetrafluorobenzimidazol-2-yl)-4,4,5,5-tetramethyl- 4,5-dihydro-1H-imidazole-3-oxide-1-oxyl","","- C14 H13 F4 N4 O2 -","- C14 H13 F4 N4 O2 -","- C56 H52 F16 N16 O8 -","4","1","","Seber, Gonca; Halder, Gregory J.; Schlueter, John A.; Lahti, Paul M.","Pressure Effects on the Quasi-1-D Molecular Ferromagnet 2-(4,5,6,7-Tetrafluorobenzimidazol-2-yl)-4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazole-3-oxide-1-oxyl","Crystal Growth & Design","2011","11","10","4261","","10.1021/cg200802c","","","0.71073","MoKα","","0.0863","0.0517","","","0.1613","0.1932","","","","","","1.158","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501159","30.767","0.006","27.684","0.006","11.233","0.002","90","","90.06","0.03","90","","9568","3","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(4-(4-(tert-butyl)phenyl)-5-iodo-3-methyl-1- n-octyl-1H-1,2,3-triazol-3-ium) chloride tetrafluoroborate","","- C42 H66 B Cl F4 I2 N6 -","- C42 H66 B Cl F4 I2 N6 -","- C336 H528 B8 Cl8 F32 I16 N48 -","8","2","","Kilah, Nathan L.; Wise, Matthew D.; Beer, Paul D.","Crystallographic Implications for the Design of Halogen Bonding Anion Receptors","Crystal Growth & Design","2011","11","10","4565","","10.1021/cg200811a","","","0.71073","MoKα","","0.0763","0.0587","","0.0767","0.0699","0.0766","","","","","","0.9543","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4501160","12.8238","0.0002","14.1646","0.0002","17.0277","0.0003","90.7462","0.0006","108.134","0.0007","114.279","0.0008","2643.64","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","","Bis(4-(4-(tert-butyl)phenyl)-5-iodo-3-methyl-1- n-octyl-1H-1,2,3-triazol-3-ium) iodide triiodide","","- C42 H66 I6 N6 -","- C42 H66 I6 N6 -","- C84 H132 I12 N12 -","2","1","","Kilah, Nathan L.; Wise, Matthew D.; Beer, Paul D.","Crystallographic Implications for the Design of Halogen Bonding Anion Receptors","Crystal Growth & Design","2011","11","10","4565","","10.1021/cg200811a","","","0.71073","MoKα","","0.0723","0.0458","","0.0902","0.0716","0.0902","","","","","","0.9881","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4501161","15.3999","0.0008","16.441","0.0009","23.9879","0.0015","95.308","0.003","99.302","0.003","107.478","0.004","5652.4","0.6","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C114.94 H130 Br Cl3.98 D7.14 I N6 O13.29 -","- C114.94 H130 Br Cl3.975 D7.135 I N6 O13.29 -","- C229.88 H260 Br2 Cl7.95 D14.27 I2 N12 O26.58 -","2","1","","Kilah, Nathan L.; Wise, Matthew D.; Beer, Paul D.","Crystallographic Implications for the Design of Halogen Bonding Anion Receptors","Crystal Growth & Design","2011","11","10","4565","","10.1021/cg200811a","","","0.71073","MoKα","","0.1551","0.1143","","0.2955","0.2602","0.2954","","","","","","0.9557","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4501162","36.64","0.02","19.01","0.012","22.836","0.014","90","","95.386","0.012","90","","15836","16","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H52 N6 O17 Pr -","- C54 H52 N6 O17 Pr -","- C432 H416 N48 O136 Pr8 -","8","1","","Yan, Xuhuan; Li, Yafei; Wang, Qiong; Huang, Xiaoguang; Zhang, Ye; Gao, Cunji; Liu, Weisheng; Tang, Yu; Zhang, Hongrui; Shao, Yongliang","Two- to One-Dimensional: Radii-Dependent Self-Assembly Crystal Structures and Luminescent Properties of Lanthanide Coordination Polymers with an Amide Type Semirigid Bridging Ligand","Crystal Growth & Design","2011","11","9","4205","","10.1021/cg200816f","","","0.71073","MoKα","","0.3065","0.0816","","","0.1777","0.2298","","","","","","0.705","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501163","36.7013","0.0013","19.0487","0.0006","22.8374","0.0007","90","","95.746","0.003","90","","15885.7","0.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H55 N6 Nd O18.5 -","- C54 H55 N6 Nd O18.5 -","- C432 H440 N48 Nd8 O148 -","8","1","","Yan, Xuhuan; Li, Yafei; Wang, Qiong; Huang, Xiaoguang; Zhang, Ye; Gao, Cunji; Liu, Weisheng; Tang, Yu; Zhang, Hongrui; Shao, Yongliang","Two- to One-Dimensional: Radii-Dependent Self-Assembly Crystal Structures and Luminescent Properties of Lanthanide Coordination Polymers with an Amide Type Semirigid Bridging Ligand","Crystal Growth & Design","2011","11","9","4205","","10.1021/cg200816f","","","0.71073","MoKα","","0.1814","0.0563","","","0.1131","0.1501","","","","","","0.804","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4501164","12.3793","0.0013","20.387","0.002","20.86","0.002","90","","99.227","0.001","90","","5196.5","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H48 N6 O15 Sm -","- C54 H48 N6 O15 Sm -","- C216 H192 N24 O60 Sm4 -","4","1","","Yan, Xuhuan; Li, Yafei; Wang, Qiong; Huang, Xiaoguang; Zhang, Ye; Gao, Cunji; Liu, Weisheng; Tang, Yu; Zhang, Hongrui; Shao, Yongliang","Two- to One-Dimensional: Radii-Dependent Self-Assembly Crystal Structures and Luminescent Properties of Lanthanide Coordination Polymers with an Amide Type Semirigid Bridging Ligand","Crystal Growth & Design","2011","11","9","4205","","10.1021/cg200816f","","","0.71073","MoKα","","0.0912","0.0471","","","0.0841","0.098","","","","","","1.042","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501165","12.3915","0.0009","20.3621","0.0015","20.8378","0.0015","90","","99.494","0.004","90","","5185.7","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H46 N6 O15 Tb -","- C54 H46 N6 O15 Tb -","- C216 H184 N24 O60 Tb4 -","4","1","","Yan, Xuhuan; Li, Yafei; Wang, Qiong; Huang, Xiaoguang; Zhang, Ye; Gao, Cunji; Liu, Weisheng; Tang, Yu; Zhang, Hongrui; Shao, Yongliang","Two- to One-Dimensional: Radii-Dependent Self-Assembly Crystal Structures and Luminescent Properties of Lanthanide Coordination Polymers with an Amide Type Semirigid Bridging Ligand","Crystal Growth & Design","2011","11","9","4205","","10.1021/cg200816f","","","0.71073","MoKα","","0.095","0.0463","","","0.1067","0.1284","","","","","","0.987","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501166","12.409","0.003","20.477","0.006","20.847","0.006","90","","99.813","0.003","90","","5220","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H45.5 Er N6 O15 -","- C54 H45.5 Er N6 O15 -","- C216 H182 Er4 N24 O60 -","4","1","","Yan, Xuhuan; Li, Yafei; Wang, Qiong; Huang, Xiaoguang; Zhang, Ye; Gao, Cunji; Liu, Weisheng; Tang, Yu; Zhang, Hongrui; Shao, Yongliang","Two- to One-Dimensional: Radii-Dependent Self-Assembly Crystal Structures and Luminescent Properties of Lanthanide Coordination Polymers with an Amide Type Semirigid Bridging Ligand","Crystal Growth & Design","2011","11","9","4205","","10.1021/cg200816f","","","0.71073","MoKα","","0.1158","0.0561","","","0.1064","0.1333","","","","","","0.942","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501167","25.8402","0.0013","11.6244","0.0006","18.1993","0.0016","90","","133.514","0.001","90","","3964.4","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H42 N10 O11 Zn -","- C36 H36 N10 O11.02 Zn -","- C144 H144 N40 O44.08 Zn4 -","4","0.5","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Yao, Zhao-Quan; Li, Shu-Juan; Wang, Xiu-Guang","Zinc(II), Cobalt(II), and Copper(II) Complexes Based on Dibenzimidazolyl Bidentate Ligands with Oligoether Linkers: Crystal Structure and Weak Interactions","Crystal Growth & Design","2011","11","11","4933","","10.1021/cg2008182","","","0.71073","MoKα","","0.037","0.0334","","","0.0978","0.101","","","","","","1.086","","","","has coordinates,has disorder","179542","2020-10-21","18:00:00",""
"4501168","11.948","0.002","9.1229","0.0016","21.96","0.004","90","","93.121","0.003","90","","2390.1","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Co N4 O7 -","- C24 H28 Co N4 O7 -","- C96 H112 Co4 N16 O28 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Yao, Zhao-Quan; Li, Shu-Juan; Wang, Xiu-Guang","Zinc(II), Cobalt(II), and Copper(II) Complexes Based on Dibenzimidazolyl Bidentate Ligands with Oligoether Linkers: Crystal Structure and Weak Interactions","Crystal Growth & Design","2011","11","11","4933","","10.1021/cg2008182","","","0.71073","MoKα","","0.045","0.0329","","","0.0758","0.0815","","","","","","1.037","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501169","20.1433","0.0018","18.5739","0.0016","18.3522","0.0016","90","","100.51","0.001","90","","6751.1","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65 H74 N11 O15.5 Zn2 -","- C65 H73 N11 O15.5 Zn2 -","- C260 H292 N44 O62 Zn8 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Yao, Zhao-Quan; Li, Shu-Juan; Wang, Xiu-Guang","Zinc(II), Cobalt(II), and Copper(II) Complexes Based on Dibenzimidazolyl Bidentate Ligands with Oligoether Linkers: Crystal Structure and Weak Interactions","Crystal Growth & Design","2011","11","11","4933","","10.1021/cg2008182","","","0.71073","MoKα","","0.0537","0.0413","","","0.1047","0.1141","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501170","10.697","0.012","11.057","0.012","11.274","0.012","107.706","0.018","91.898","0.019","112.709","0.017","1154","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H46 Cu2 N8 O13 S2 -","- C40 H44 Cu2 N8 O13 S2 -","- C40 H44 Cu2 N8 O13 S2 -","1","0.5","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Yao, Zhao-Quan; Li, Shu-Juan; Wang, Xiu-Guang","Zinc(II), Cobalt(II), and Copper(II) Complexes Based on Dibenzimidazolyl Bidentate Ligands with Oligoether Linkers: Crystal Structure and Weak Interactions","Crystal Growth & Design","2011","11","11","4933","","10.1021/cg2008182","","","0.71073","MoKα","","0.1513","0.0775","","","0.2027","0.2375","","","","","","1.008","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501171","24.1627","0.0009","10.0093","0.0004","18.2995","0.0007","90","","119.895","0.001","90","","3836.9","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Cl2 Co N4 O -","- C18 H18 Cl2 Co N4 O -","- C144 H144 Cl16 Co8 N32 O8 -","8","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Yao, Zhao-Quan; Li, Shu-Juan; Wang, Xiu-Guang","Zinc(II), Cobalt(II), and Copper(II) Complexes Based on Dibenzimidazolyl Bidentate Ligands with Oligoether Linkers: Crystal Structure and Weak Interactions","Crystal Growth & Design","2011","11","11","4933","","10.1021/cg2008182","","","0.71073","MoKα","","0.0334","0.0265","","","0.0661","0.0707","","","","","","1.045","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501172","9.8741","0.0014","25.089","0.004","17.889","0.003","90","","90.582","0.003","90","","4431.4","1.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Co0.5 N3 O4.5 -","- C18 H21 Co0.5 N3 O4.5 -","- C144 H168 Co4 N24 O36 -","8","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Yao, Zhao-Quan; Li, Shu-Juan; Wang, Xiu-Guang","Zinc(II), Cobalt(II), and Copper(II) Complexes Based on Dibenzimidazolyl Bidentate Ligands with Oligoether Linkers: Crystal Structure and Weak Interactions","Crystal Growth & Design","2011","11","11","4933","","10.1021/cg2008182","","","0.71073","MoKα","","0.1072","0.0814","","","0.2564","0.2795","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501173","10.0385","0.0007","12.6413","0.0009","19.0514","0.0013","90","","100.067","0.001","90","","2380.4","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 N6 O8 Zn -","- C20 H22 N6 O8 Zn -","- C80 H88 N24 O32 Zn4 -","4","1","","Liu, Qing-Xiang; Zhao, Zhi-Xiang; Zhao, Xiao-Jun; Yao, Zhao-Quan; Li, Shu-Juan; Wang, Xiu-Guang","Zinc(II), Cobalt(II), and Copper(II) Complexes Based on Dibenzimidazolyl Bidentate Ligands with Oligoether Linkers: Crystal Structure and Weak Interactions","Crystal Growth & Design","2011","11","11","4933","","10.1021/cg2008182","","","0.71073","MoKα","","0.0434","0.0314","","","0.0737","0.0799","","","","","","1.021","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501174","6.7486","0.0017","7.1572","0.0018","8.687","0.002","69.818","0.003","80.019","0.003","85.524","0.003","387.79","0.16","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C6 H16 N2 O10 Te2 V2 -","- C6 H16 N2 O10 Te2 V2 -","- C6 H16 N2 O10 Te2 V2 -","1","0.5","","Smith, Matthew D.; Blau, Samuel M.; Chang, Kelvin B.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Beyond Charge Density Matching: The Role of C‒H···O Interactions in the Formation of Templated Vanadium Tellurites","Crystal Growth & Design","2011","11","9","4213","","10.1021/cg2008232","","","0.71073","MoKα","","0.0229","0.0202","","0.0455","0.0441","0.0429","","","","","","1.0047","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501175","19.356","0.003","7.0591","0.0012","13.582","0.002","90","","125.485","0.0017","90","","1511.1","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C5 H14 N2 O10 Te2 V2 -","- C5 H14 N2 O10 Te2 V2 -","- C20 H56 N8 O40 Te8 V8 -","4","0.5","","Smith, Matthew D.; Blau, Samuel M.; Chang, Kelvin B.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.","Beyond Charge Density Matching: The Role of C‒H···O Interactions in the Formation of Templated Vanadium Tellurites","Crystal Growth & Design","2011","11","9","4213","","10.1021/cg2008232","","","0.71073","MoKα","","0.0171","0.0165","","0.0416","0.0412","0.0407","","","","","","1.0927","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501176","5.606","0.0004","20.251","0.007","8.274","0.0006","90","","108.522","0.011","90","","890.7","0.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H5 O6 P2 Pr -","- C6 H5 O6 P2 Pr -","- C24 H20 O24 P8 Pr4 -","4","0.5","","Amghouz, Zakariae; García-Granda, Santiago; García, José R.; Clearfield, Abraham; Valiente, Rafael","Organic‒Inorganic Hybrids Assembled from Lanthanide and 1,4-Phenylenebis(phosphonate)","Crystal Growth & Design","2011","11","12","5289","","10.1021/cg2008254","","","0.71073","MoKα","","0.112","0.0541","","","0.1222","0.1507","","","","","","1.053","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501177","5.6184","0.0004","20.1488","0.0012","8.3824","0.0005","90","","108.674","0.003","90","","898.97","0.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 La O6 P2 -","- C6 H4 La O6 P2 -","- C24 H16 La4 O24 P8 -","4","0.5","","Amghouz, Zakariae; García-Granda, Santiago; García, José R.; Clearfield, Abraham; Valiente, Rafael","Organic‒Inorganic Hybrids Assembled from Lanthanide and 1,4-Phenylenebis(phosphonate)","Crystal Growth & Design","2011","11","12","5289","","10.1021/cg2008254","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","2.6197","32.2","","","","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501178","5.5897","0.0009","20.073","0.003","8.3249","0.0013","90","","108.573","0.007","90","","885.4","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Ce O6 P2 -","- C6 H4 Ce O6 P2 -","- C24 H16 Ce4 O24 P8 -","4","0.5","","Amghouz, Zakariae; García-Granda, Santiago; García, José R.; Clearfield, Abraham; Valiente, Rafael","Organic‒Inorganic Hybrids Assembled from Lanthanide and 1,4-Phenylenebis(phosphonate)","Crystal Growth & Design","2011","11","12","5289","","10.1021/cg2008254","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","4.4052","59.6","","","","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501179","5.5746","0.0006","20.056","0.002","8.2868","0.0008","90","","108.588","0.004","90","","878.17","0.16","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 O6 P2 Pr -","- C6 H4 O6 P2 Pr -","- C24 H16 O24 P8 Pr4 -","4","0.5","","Amghouz, Zakariae; García-Granda, Santiago; García, José R.; Clearfield, Abraham; Valiente, Rafael","Organic‒Inorganic Hybrids Assembled from Lanthanide and 1,4-Phenylenebis(phosphonate)","Crystal Growth & Design","2011","11","12","5289","","10.1021/cg2008254","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","3.4835","35.8","","","","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501180","5.5549","0.0011","20.05","0.004","8.2437","0.0015","90","","108.496","0.008","90","","870.7","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Nd O6 P2 -","- C6 H4 Nd O6 P2 -","- C24 H16 Nd4 O24 P8 -","4","0.5","","Amghouz, Zakariae; García-Granda, Santiago; García, José R.; Clearfield, Abraham; Valiente, Rafael","Organic‒Inorganic Hybrids Assembled from Lanthanide and 1,4-Phenylenebis(phosphonate)","Crystal Growth & Design","2011","11","12","5289","","10.1021/cg2008254","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","4.9142","47.1","","","","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501181","5.5196","0.0009","19.973","0.003","8.1794","0.0013","90","","108.469","0.007","90","","855.3","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 O6 P2 Sm -","- C6 H4 O6 P2 Sm -","- C24 H16 O24 P8 Sm4 -","4","0.5","","Amghouz, Zakariae; García-Granda, Santiago; García, José R.; Clearfield, Abraham; Valiente, Rafael","Organic‒Inorganic Hybrids Assembled from Lanthanide and 1,4-Phenylenebis(phosphonate)","Crystal Growth & Design","2011","11","12","5289","","10.1021/cg2008254","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","3.9245","32.9","","","","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501182","5.4997","0.0007","19.955","0.003","8.1579","0.001","90","","108.353","0.005","90","","849.8","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Eu O6 P2 -","- C6 H4 Eu O6 P2 -","- C24 H16 Eu4 O24 P8 -","4","0.5","","Amghouz, Zakariae; García-Granda, Santiago; García, José R.; Clearfield, Abraham; Valiente, Rafael","Organic‒Inorganic Hybrids Assembled from Lanthanide and 1,4-Phenylenebis(phosphonate)","Crystal Growth & Design","2011","11","12","5289","","10.1021/cg2008254","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","3.1271","27.5","","","","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501183","5.4805","0.0012","19.943","0.004","8.1317","0.0015","90","","108.367","0.008","90","","843.5","0.3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Gd O6 P2 -","- C6 H4 Gd O6 P2 -","- C24 H16 Gd4 O24 P8 -","4","0.5","","Amghouz, Zakariae; García-Granda, Santiago; García, José R.; Clearfield, Abraham; Valiente, Rafael","Organic‒Inorganic Hybrids Assembled from Lanthanide and 1,4-Phenylenebis(phosphonate)","Crystal Growth & Design","2011","11","12","5289","","10.1021/cg2008254","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","6.0287","41.6","","","","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501184","5.4735","0.0007","19.894","0.002","8.1157","0.001","90","","108.323","0.005","90","","838.91","0.17","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 O6 P2 Tb -","- C6 H4 O6 P2 Tb -","- C24 H16 O24 P8 Tb4 -","4","0.5","","Amghouz, Zakariae; García-Granda, Santiago; García, José R.; Clearfield, Abraham; Valiente, Rafael","Organic‒Inorganic Hybrids Assembled from Lanthanide and 1,4-Phenylenebis(phosphonate)","Crystal Growth & Design","2011","11","12","5289","","10.1021/cg2008254","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","4.5607","50.8","","","","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501185","5.4462","0.0009","19.869","0.003","8.0864","0.0011","90","","108.237","0.006","90","","831.1","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Dy O6 P2 -","- C6 H4 Dy O6 P2 -","- C24 H16 Dy4 O24 P8 -","4","0.5","","Amghouz, Zakariae; García-Granda, Santiago; García, José R.; Clearfield, Abraham; Valiente, Rafael","Organic‒Inorganic Hybrids Assembled from Lanthanide and 1,4-Phenylenebis(phosphonate)","Crystal Growth & Design","2011","11","12","5289","","10.1021/cg2008254","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","6.695","125","","","","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501186","5.4309","0.0005","19.8439","0.0015","8.0629","0.0006","90","","108.208","0.003","90","","825.43","0.12","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Ho O6 P2 -","- C6 H4 Ho O6 P2 -","- C24 H16 Ho4 O24 P8 -","4","0.5","","Amghouz, Zakariae; García-Granda, Santiago; García, José R.; Clearfield, Abraham; Valiente, Rafael","Organic‒Inorganic Hybrids Assembled from Lanthanide and 1,4-Phenylenebis(phosphonate)","Crystal Growth & Design","2011","11","12","5289","","10.1021/cg2008254","powder diffraction","x-ray","1.5418","CuKα","","","","","","","","","8.1375","264","","","","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501187","12.098","0.002","16.807","0.003","34.29","0.007","90","","90","","90","","6972","2","293","2","293","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C64 H28 Br F6 I4 S8 -","- C64 H28 Br F6 I4 S8 -","- C256 H112 Br4 F24 I16 S32 -","4","0.25","","Lieffrig, Julien; Yamamoto, Hiroshi M.; Kusamoto, Tetsuro; Cui, Henbo; Jeannin, Olivier; Fourmigué, Marc; Kato, Reizo","Halogen-Bonded, Eight-fold PtS-Type Interpenetrated Supramolecular Network. A Study toward Redundant and Cross-Bar Supramolecular Nanowire Crystal","Crystal Growth & Design","2011","11","10","4267","","10.1021/cg200843w","","","0.71073","MoKα","","0.1289","0.075","","","0.1899","0.2163","","","","","","1.126","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501188","11.81","0.002","16.572","0.003","33.961","0.007","90","","90","","90","","6647","2","293","2","293","2","","","","","","","","6","I b a m","-I 2 2c","72","","","","- C64 H28 Cl F6 I4 S8 -","- C64 H28 Cl F6 I4 S8 -","- C256 H112 Cl4 F24 I16 S32 -","4","0.25","","Lieffrig, Julien; Yamamoto, Hiroshi M.; Kusamoto, Tetsuro; Cui, Henbo; Jeannin, Olivier; Fourmigué, Marc; Kato, Reizo","Halogen-Bonded, Eight-fold PtS-Type Interpenetrated Supramolecular Network. A Study toward Redundant and Cross-Bar Supramolecular Nanowire Crystal","Crystal Growth & Design","2011","11","10","4267","","10.1021/cg200843w","","","0.71073","MoKα","","0.1846","0.0787","","","0.2064","0.2674","","","","","","0.893","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501189","11.038","0.01","9.067","0.008","11.392","0.01","90","","101.86","0.014","90","","1115.8","1.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C52 H48 N8 O8 -","4","1","","Nath, Naba K.; Kumar, S. Sudalai; Nangia, Ashwini","Neutral and Zwitterionic Polymorphs of 2-(p-Tolylamino)nicotinic Acid","Crystal Growth & Design","2011","11","10","4594","","10.1021/cg200853u","","","0.71073","MoKα","","0.0648","0.0598","","","0.1827","0.185","","","","","","1.188","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501190","14.2565","0.0016","10.7542","0.0015","14.769","0.003","90","","90","","90","","2264.3","0.6","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C104 H96 N16 O16 -","8","1","","Nath, Naba K.; Kumar, S. Sudalai; Nangia, Ashwini","Neutral and Zwitterionic Polymorphs of 2-(p-Tolylamino)nicotinic Acid","Crystal Growth & Design","2011","11","10","4594","","10.1021/cg200853u","","","0.7107","MoKα","","0.1081","0.0497","","","0.1026","0.1144","","","","","","0.872","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501191","9.0787","0.0011","14.2261","0.0017","17.154","0.002","90","","90","","90","","2215.5","0.5","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C104 H96 N16 O16 -","8","1","","Nath, Naba K.; Kumar, S. Sudalai; Nangia, Ashwini","Neutral and Zwitterionic Polymorphs of 2-(p-Tolylamino)nicotinic Acid","Crystal Growth & Design","2011","11","10","4594","","10.1021/cg200853u","","","0.71073","MoKα","","0.0546","0.0521","","","0.1475","0.1488","","","","","","1.185","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501192","9.25","0.004","14.207","0.004","17.509","0.01","90","","90","","90","","2300.9","1.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H12 N2 O2 -","- C13 H12 N2 O2 -","- C104 H96 N16 O16 -","8","1","","Nath, Naba K.; Kumar, S. Sudalai; Nangia, Ashwini","Neutral and Zwitterionic Polymorphs of 2-(p-Tolylamino)nicotinic Acid","Crystal Growth & Design","2011","11","10","4594","","10.1021/cg200853u","","","0.7107","MoKα","","0.1578","0.0646","","","0.135","0.1537","","","","","","0.929","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501193","6.8022","0.0008","10.412","0.0012","23.206","0.003","90","","90","","90","","1643.6","0.3","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N4 O2 -","- C18 H18 N4 O2 -","- C72 H72 N16 O8 -","4","1","","Nath, Naba K.; Kumar, S. Sudalai; Nangia, Ashwini","Neutral and Zwitterionic Polymorphs of 2-(p-Tolylamino)nicotinic Acid","Crystal Growth & Design","2011","11","10","4594","","10.1021/cg200853u","","","0.71073","MoKα","","0.0442","0.042","","","0.0928","0.094","","","","","","1.162","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501194","7.8","0.0008","13.0415","0.0016","14.0098","0.0015","64.87","0.011","86.132","0.009","85.992","0.009","1286","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N4 O10 -","- C27 H22 N4 O10 -","- C54 H44 N8 O20 -","2","1","","Nath, Naba K.; Kumar, S. Sudalai; Nangia, Ashwini","Neutral and Zwitterionic Polymorphs of 2-(p-Tolylamino)nicotinic Acid","Crystal Growth & Design","2011","11","10","4594","","10.1021/cg200853u","","","0.7107","MoKα","","0.0616","0.0399","","","0.1033","0.1099","","","","","","1.039","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501195","18.704","0.002","11.6908","0.0013","9.4873","0.001","90","","90","","90","","2074.5","0.4","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H18 Mn N2 O4 -","- C24 H18 Mn N2 O4 -","- C96 H72 Mn4 N8 O16 -","4","0.5","","Kar, Paramita; Biswas, Rituparna; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh","A Unique Example of Structural Diversity Tuned by Apparently Innocento-,m-, andp-Nitro Substituents of Benzoate in Their Complexes of Mn(II) with 4,4′-Bipyridine: 1D Ladder, 2D Sheet, and 3D Framework","Crystal Growth & Design","2011","11","12","5305","","10.1021/cg2008649","","","0.71073","MoKα","","0.0784","0.0521","","","0.1875","0.2034","","","","","","1.19","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501196","11.1137","0.0008","22.3436","0.0017","19.1449","0.0015","90","","96.888","0.001","90","","4719.8","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H32 Mn2 N8 O16 -","- C48 H32 Mn2 N8 O16 -","- C192 H128 Mn8 N32 O64 -","4","1","","Kar, Paramita; Biswas, Rituparna; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh","A Unique Example of Structural Diversity Tuned by Apparently Innocento-,m-, andp-Nitro Substituents of Benzoate in Their Complexes of Mn(II) with 4,4′-Bipyridine: 1D Ladder, 2D Sheet, and 3D Framework","Crystal Growth & Design","2011","11","12","5305","","10.1021/cg2008649","","","0.71073","MoKα","","0.0755","0.0385","","","0.0801","0.0963","","","","","","1.019","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501197","20.088","0.013","11.676","0.007","9.961","0.006","90","","95.776","0.008","90","","2324","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Mn N4 O8 -","- C24 H16 Mn N4 O8 -","- C96 H64 Mn4 N16 O32 -","4","0.5","","Kar, Paramita; Biswas, Rituparna; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh","A Unique Example of Structural Diversity Tuned by Apparently Innocento-,m-, andp-Nitro Substituents of Benzoate in Their Complexes of Mn(II) with 4,4′-Bipyridine: 1D Ladder, 2D Sheet, and 3D Framework","Crystal Growth & Design","2011","11","12","5305","","10.1021/cg2008649","","","0.71073","MoKα","","0.1049","0.0698","","","0.1697","0.1924","","","","","","1.051","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501198","13.359","0.003","23.502","0.005","7.3675","0.0015","90","","97.269","0.002","90","","2294.5","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H16 Mn N4 O8 -","- C24 H16 Mn N4 O8 -","- C96 H64 Mn4 N16 O32 -","4","0.5","","Kar, Paramita; Biswas, Rituparna; Ida, Yumi; Ishida, Takayuki; Ghosh, Ashutosh","A Unique Example of Structural Diversity Tuned by Apparently Innocento-,m-, andp-Nitro Substituents of Benzoate in Their Complexes of Mn(II) with 4,4′-Bipyridine: 1D Ladder, 2D Sheet, and 3D Framework","Crystal Growth & Design","2011","11","12","5305","","10.1021/cg2008649","","","0.71073","MoKα","","0.0495","0.0388","","","0.0971","0.1022","","","","","","1.094","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501199","9.7762","0.0008","9.8409","0.0008","10.3044","0.0009","92.625","0.001","114.899","0.001","110.628","0.001","819.26","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 O21 P4 U2 -","- C20 H24 O21 P4 U2 -","- C20 H24 O21 P4 U2 -","1","0.5","","Adelani, Pius O.; Albrecht-Schmitt, Thomas E.","Syntheses of Uranyl Diphosphonate Compounds Using Encapsulated Cations as Structure Directing Agents","Crystal Growth & Design","2011","11","9","4227","","10.1021/cg200872a","","","0.71073","MoKα","","0.0297","0.0244","","","0.0527","0.0548","","","","","","1.03","","","","has coordinates","179542","2020-10-21","18:00:00",""
"4501200","10.089","0.003","11.712","0.004","11.803","0.004","111.964","0.004","107.146","0.004","105.977","0.004","1112.9","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H12 O27 P6 U3 -","- C22 H12 O27 P6 U3 -","- C22 H12 O27 P6 U3 -","1","0.5","","Adelani, Pius O.; Albrecht-Schmitt, Thomas E.","Syntheses of Uranyl Diphosphonate Compounds Using Encapsulated Cations as Structure Directing Agents","Crystal Growth & Design","2011","11","9","4227","","10.1021/cg200872a","","","0.71073","MoKα","","0.0805","0.0583","","","0.1594","0.1761","","","","","","1.297","","","","has coordinates,has disorder","179543","2020-10-21","18:00:00",""
"4501201","10.1004","0.0016","10.6811","0.0017","19.156","0.003","74.492","0.002","84.033","0.002","87.646","0.002","1980.4","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H28 F O26 P4 U2 -","- C22 H28 F O26 P4 U2 -","- C44 H56 F2 O52 P8 U4 -","2","1","","Adelani, Pius O.; Albrecht-Schmitt, Thomas E.","Syntheses of Uranyl Diphosphonate Compounds Using Encapsulated Cations as Structure Directing Agents","Crystal Growth & Design","2011","11","9","4227","","10.1021/cg200872a","","","0.71073","MoKα","","0.1234","0.0552","","","0.0861","0.1063","","","","","","0.959","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501202","16.7893","0.0018","10.2105","0.0011","22.087","0.002","90","","92.012","0.001","90","","3784","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 F O25 P4 U2 -","- C24 H32 F O25 P4 U2 -","- C96 H128 F4 O100 P16 U8 -","4","1","","Adelani, Pius O.; Albrecht-Schmitt, Thomas E.","Syntheses of Uranyl Diphosphonate Compounds Using Encapsulated Cations as Structure Directing Agents","Crystal Growth & Design","2011","11","9","4227","","10.1021/cg200872a","","","0.71073","MoKα","","0.0486","0.032","","","0.0635","0.0695","","","","","","1.049","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501203","10.2545","0.0016","19.608","0.003","20.52","0.003","90","","93.156","0.002","90","","4119.7","1.1","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 F K O26 P4 U2 -","- C24 H32 F K O26 P4 U2 -","- C96 H128 F4 K4 O104 P16 U8 -","4","1","","Adelani, Pius O.; Albrecht-Schmitt, Thomas E.","Syntheses of Uranyl Diphosphonate Compounds Using Encapsulated Cations as Structure Directing Agents","Crystal Growth & Design","2011","11","9","4227","","10.1021/cg200872a","","","0.71073","MoKα","","0.0762","0.0396","","","0.075","0.0872","","","","","","0.996","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501204","3.8896","0.0019","9.384","0.005","14.852","0.007","101.784","0.007","95.457","0.007","90.22","0.007","528.1","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H10 O2 -","- C15 H10 O2 -","- C30 H20 O4 -","2","1","","Zhu, Lingyan; Al-Kaysi, Rabih O.; Dillon, Robert J.; Tham, Fook S.; Bardeen, Christopher J.","Crystal Structures and Photophysical Properties of 9-Anthracene Carboxylic Acid Derivatives for Photomechanical Applications","Crystal Growth & Design","2011","11","11","4975","","10.1021/cg200883b","","","0.71073","MoKα","","0.1109","0.0882","","","0.2265","0.2399","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501205","9.2885","0.0014","3.765","0.0006","30.373","0.005","90","","97.517","0.003","90","","1053.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 Br0.05 F0.95 O2 -","- C15 H9 Br0.0505 F0.9495 O2 -","- C60 H36 Br0.202 F3.798 O8 -","4","1","","Zhu, Lingyan; Al-Kaysi, Rabih O.; Dillon, Robert J.; Tham, Fook S.; Bardeen, Christopher J.","Crystal Structures and Photophysical Properties of 9-Anthracene Carboxylic Acid Derivatives for Photomechanical Applications","Crystal Growth & Design","2011","11","11","4975","","10.1021/cg200883b","","","0.71073","MoKα","","0.092","0.0703","","","0.191","0.2078","","","","","","1.083","","","","has coordinates,has disorder","179543","2020-10-21","18:00:00",""
"4501206","8.5743","0.0003","8.2539","0.0003","16.4805","0.0006","90","","94.9243","0.0005","90","","1162.04","0.07","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 O2 -","- C16 H12 O2 -","- C64 H48 O8 -","4","1","","Zhu, Lingyan; Al-Kaysi, Rabih O.; Dillon, Robert J.; Tham, Fook S.; Bardeen, Christopher J.","Crystal Structures and Photophysical Properties of 9-Anthracene Carboxylic Acid Derivatives for Photomechanical Applications","Crystal Growth & Design","2011","11","11","4975","","10.1021/cg200883b","","","0.71073","MoKα","","0.0532","0.0467","","","0.1405","0.1497","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501207","7.1691","0.0005","13.5819","0.001","30.767","0.002","90","","90","","90","","2995.8","0.4","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C21 H14 O2 -","- C21 H14 O2 -","- C168 H112 O16 -","8","1","","Zhu, Lingyan; Al-Kaysi, Rabih O.; Dillon, Robert J.; Tham, Fook S.; Bardeen, Christopher J.","Crystal Structures and Photophysical Properties of 9-Anthracene Carboxylic Acid Derivatives for Photomechanical Applications","Crystal Growth & Design","2011","11","11","4975","","10.1021/cg200883b","","","0.71073","MoKα","","0.0731","0.0518","","","0.1243","0.1383","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501208","12.2784","0.0003","9.0581","0.0003","23.5345","0.0006","90","","94.268","0.002","90","","2610.22","0.13","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H12 F8 I4 N2 S -","- C17 H12 F8 I4 N2 S -","- C68 H48 F32 I16 N8 S4 -","4","0.5","","Viger-Gravel, Jasmine; Korobkov, Ilia; Bryce, David L.","Multinuclear Solid-State Magnetic Resonance and X-ray Diffraction Study of Some Thiocyanate and Selenocyanate Complexes Exhibiting Halogen Bonding","Crystal Growth & Design","2011","11","11","4984","","10.1021/cg200889y","","","0.71073","MoKα","","0.0394","0.0289","","","0.076","0.0826","","","","","","1.022","","","","has coordinates,has disorder","179543","2020-10-21","18:00:00",""
"4501209","9.4954","0.0003","24.6517","0.0008","11.4085","0.0004","90","","103.24","0.001","90","","2599.49","0.15","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 F8 I4 N2 Se -","- C17 H12 F8 I4 N2 Se -","- C68 H48 F32 I16 N8 Se4 -","4","1","","Viger-Gravel, Jasmine; Korobkov, Ilia; Bryce, David L.","Multinuclear Solid-State Magnetic Resonance and X-ray Diffraction Study of Some Thiocyanate and Selenocyanate Complexes Exhibiting Halogen Bonding","Crystal Growth & Design","2011","11","11","4984","","10.1021/cg200889y","","","0.71073","MoKα","","0.0379","0.0276","","","0.0621","0.0656","","","","","","1.018","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501210","8.7214","0.0007","11.0795","0.0009","13.4793","0.0011","93.753","0.004","90.429","0.004","97.315","0.004","1288.95","0.18","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H12 F8 I4 N2 Se -","- C17 H12 F8 I4 N2 Se -","- C34 H24 F16 I8 N4 Se2 -","2","1","","Viger-Gravel, Jasmine; Korobkov, Ilia; Bryce, David L.","Multinuclear Solid-State Magnetic Resonance and X-ray Diffraction Study of Some Thiocyanate and Selenocyanate Complexes Exhibiting Halogen Bonding","Crystal Growth & Design","2011","11","11","4984","","10.1021/cg200889y","","","0.71073","MoKα","","0.0255","0.0228","","","0.0573","0.0588","","","","","","1.073","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501211","3.9041","0.0005","13.8156","0.0016","12.1585","0.0014","90","","90.521","0.002","90","","655.77","0.14","86","2","86","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(3-ClPy)2CuBr2","","","- C10 H8 Br2 Cl2 Cu N2 -","- C10 H8 Br2 Cl2 Cu N2 -","- C20 H16 Br4 Cl4 Cu2 N4 -","2","0.5","","Awwadi, Firas; Willett, Roger D.; Twamley, Brendan","Tuning Molecular Structures Using Weak Noncovalent Interactions: Theoretical Study and Structure oftrans-Bis(2-chloropyridine)dihalocopper(II) andtrans-Bis(3-chloropyridine)dibromocopper(II)","Crystal Growth & Design","2011","11","12","5316","","10.1021/cg200893n","","","0.71073","MoKα","","0.0478","0.0364","","","0.0783","0.0817","","","","","","1.03","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501212","8.4359","0.0012","8.4865","0.0009","10.5674","0.0014","76.876","0.011","70.044","0.011","70.532","0.01","664.95","0.16","295","2","295","2","","","","","","","","5","P -1","-P 1","2","(2-ClPy)2CuCl2","","","- C10 H8 Cl4 Cu N2 -","- C10 H8 Cl4 Cu N2 -","- C20 H16 Cl8 Cu2 N4 -","2","1","","Awwadi, Firas; Willett, Roger D.; Twamley, Brendan","Tuning Molecular Structures Using Weak Noncovalent Interactions: Theoretical Study and Structure oftrans-Bis(2-chloropyridine)dihalocopper(II) andtrans-Bis(3-chloropyridine)dibromocopper(II)","Crystal Growth & Design","2011","11","12","5316","","10.1021/cg200893n","","","0.71073","MoKα","","0.051","0.0338","","","0.0765","0.0835","","","","","","1.058","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501213","8.4354","0.0013","8.8167","0.0013","11.402","0.003","70.088","0.016","74.565","0.015","62.103","0.012","698.8","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","(2-ClPy)2CuBr2","","","- C10 H8 Br2 Cl2 Cu N2 -","- C10 H8 Br2 Cl2 Cu N2 -","- C20 H16 Br4 Cl4 Cu2 N4 -","2","1","","Awwadi, Firas; Willett, Roger D.; Twamley, Brendan","Tuning Molecular Structures Using Weak Noncovalent Interactions: Theoretical Study and Structure oftrans-Bis(2-chloropyridine)dihalocopper(II) andtrans-Bis(3-chloropyridine)dibromocopper(II)","Crystal Growth & Design","2011","11","12","5316","","10.1021/cg200893n","","","0.71073","MoKα","","0.0918","0.0515","","","0.1079","0.1249","","","","","","1.006","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501214","16.8704","0.0007","21.2935","0.0009","9.5632","0.0004","90","","120.011","0.001","90","","2974.8","0.2","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H53 Fe4 Na7 O58 Sb6 -","- C24 H12 Fe4 Na7 O58 Sb6 -","- C48 H24 Fe8 Na14 O116 Sb12 -","2","0.5","","Gao, Qiang; Wang, Xiqu; Conato, Marlon T.; Makarenko, Tatyana; Jacobson, Allan J.","Microporous, Homochiral Structures Containing Iron Oxo-Clusters Supported by Antimony(III) Tartrate Scaffolds","Crystal Growth & Design","2011","11","10","4632","","10.1021/cg200899w","","","0.71073","MoKα","","0.0303","0.0301","","","0.0836","0.0838","","","","","","1.02","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501215","19.0892","0.0009","19.0892","0.0009","24.5573","0.0012","90","","90","","120","","7749.7","0.6","298","2","298","2","","","","","","","","7","P 63 2 2","P 6c 2c","182","","","","- C54 H101 Fe14 K3 N2 O116 Sb12 -","- C48 H24 Fe14 K3 O92.8 Sb12 -","- C96 H48 Fe28 K6 O185.6 Sb24 -","2","0.166667","","Gao, Qiang; Wang, Xiqu; Conato, Marlon T.; Makarenko, Tatyana; Jacobson, Allan J.","Microporous, Homochiral Structures Containing Iron Oxo-Clusters Supported by Antimony(III) Tartrate Scaffolds","Crystal Growth & Design","2011","11","10","4632","","10.1021/cg200899w","","","0.71073","MoKα","","0.0457","0.0356","","","0.1298","0.1371","","","","","","1.215","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501216","18.3733","0.0005","18.3733","0.0005","73.386","0.002","90","","90","","120","","21454.5","1","296","2","296","2","","","","","","","","8","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C54 H116 Fe12 K5 N4 Na3 O118 Sb12 -","- C48 Fe11.774 K5 Na3 O169.33 Sb12 -","- C288 Fe70.644 K30 Na18 O1015.98 Sb72 -","6","0.5","","Gao, Qiang; Wang, Xiqu; Conato, Marlon T.; Makarenko, Tatyana; Jacobson, Allan J.","Microporous, Homochiral Structures Containing Iron Oxo-Clusters Supported by Antimony(III) Tartrate Scaffolds","Crystal Growth & Design","2011","11","10","4632","","10.1021/cg200899w","","","0.71073","MoKα","","0.1196","0.1082","","","0.275","0.2839","","","","","","1.117","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501217","7.9013","0.0006","5.6116","0.0004","20.1258","0.0016","90","","101.26","0.004","90","","875.18","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","PC-4-10e (2-aminopyrazine)2, 1,4-diiodotetrafluorobenzene","","- C14 H10 F4 I2 N6 -","- C14 H10 F4 I2 N6 -","- C28 H20 F8 I4 N12 -","2","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Desper, John","Avoiding “Synthon Crossover” in Crystal Engineering with Halogen Bonds and Hydrogen Bonds","Crystal Growth & Design","2011","11","12","5333","","10.1021/cg2009013","","","0.71073","MoKα","","0.0413","0.0336","","","0.0749","0.0808","","","","","","0.739","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501218","5.6316","0.0006","8.1219","0.0009","21.226","0.002","90","","93.035","0.004","90","","969.5","0.17","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-11e 2-amino-5-bromopyrazine, 1,4-diiodotetrafluorobenzene","","- C14 H8 Br2 F4 I2 N6 -","- C14 H8 Br2 F4 I2 N6 -","- C28 H16 Br4 F8 I4 N12 -","2","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Desper, John","Avoiding “Synthon Crossover” in Crystal Engineering with Halogen Bonds and Hydrogen Bonds","Crystal Growth & Design","2011","11","12","5333","","10.1021/cg2009013","","","0.71073","MoKα","","0.0347","0.0296","","","0.0647","0.0668","","","","","","1.056","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501219","5.6428","0.0004","9.7705","0.0007","10.4014","0.0007","100.821","0.003","103.743","0.003","93.752","0.003","543.49","0.07","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","4-12e (3-amino-2,6-dibromopyrazine)2, 1,4-diiodotetrafluorobenzene","","- C14 H6 Br4 F4 I2 N6 -","- C14 H6 Br4 F4 I2 N6 -","- C14 H6 Br4 F4 I2 N6 -","1","0.5","","Aakeröy, Christer B.; Chopade, Prashant D.; Desper, John","Avoiding “Synthon Crossover” in Crystal Engineering with Halogen Bonds and Hydrogen Bonds","Crystal Growth & Design","2011","11","12","5333","","10.1021/cg2009013","","","0.71073","MoKα","","0.0285","0.0259","","","0.0635","0.0646","","","","","","1.064","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501220","12.299","0.002","15.006","0.003","15.438","0.003","90","","90","","90","","2849.2","0.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 F4 N4 O12 Zn2 -","- C24 H22 F4 N4 O12 Zn2 -","- C96 H88 F16 N16 O48 Zn8 -","4","1","","Zhang, Zhi-Hui; Chen, Sheng-Chun; He, Ming-Yang; Li, Chao; Chen, Qun; Du, Miao","Fluorine-Induced Chiral Coordination Arrays Containing Helical Hydrogen-Bonding Chains of Water or Fluorinated Ligand","Crystal Growth & Design","2011","11","12","5171","","10.1021/cg200902g","","","0.71073","MoKα","","0.025","0.0219","","","0.0585","0.0599","","","","","","1.045","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501221","13.0654","0.0006","13.0654","0.0006","12.3392","0.001","90","","90","","120","","1824.16","0.19","295","2","295","2","","","","","","","","7","P 31 2 1","P 31 2""","152","","","","- C11 H7 Cd Cl F2 N2 O2 -","- C11 H7 Cd Cl F2 N2 O2 -","- C66 H42 Cd6 Cl6 F12 N12 O12 -","6","1","","Zhang, Zhi-Hui; Chen, Sheng-Chun; He, Ming-Yang; Li, Chao; Chen, Qun; Du, Miao","Fluorine-Induced Chiral Coordination Arrays Containing Helical Hydrogen-Bonding Chains of Water or Fluorinated Ligand","Crystal Growth & Design","2011","11","12","5171","","10.1021/cg200902g","","","0.71073","MoKα","","0.0158","0.0149","","","0.0367","0.0371","","","","","","1.031","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501222","13.294","0.003","16.269","0.004","11.18","0.003","90","","99.609","0.004","90","","2384.1","1","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 N4 O9 Zn2 -","- C24 H20 N4 O9 Zn2 -","- C96 H80 N16 O36 Zn8 -","4","0.5","","Zhang, Zhi-Hui; Chen, Sheng-Chun; He, Ming-Yang; Li, Chao; Chen, Qun; Du, Miao","Fluorine-Induced Chiral Coordination Arrays Containing Helical Hydrogen-Bonding Chains of Water or Fluorinated Ligand","Crystal Growth & Design","2011","11","12","5171","","10.1021/cg200902g","","","0.71073","MoKα","","0.1449","0.0517","","","0.0942","0.1287","","","","","","0.971","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501223","12.297","0.0005","26.057","0.0012","26.084","0.0012","90","","90","","90","","8357.9","0.6","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C37 H20 Cu4 O24 -","- C37 H20 Cu4 O24 -","- C148 H80 Cu16 O96 -","4","0.5","","Lin, Zu-Jin; Liu, Tian-Fu; Zhao, Xiu-Ling; Lü, Jian; Cao, Rong","Designed 4,8-Connected Metal‒Organic Frameworks Based on Tetrapodal Octacarboxylate Ligands","Crystal Growth & Design","2011","11","10","4284","","10.1021/cg200919m","","","0.71073","MoKα","","0.0873","0.0839","","","0.2668","0.2715","","","","","","1.081","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501224","12.4105","0.0005","26.2172","0.0012","26.2215","0.0012","90","","90","","90","","8531.7","0.7","293","2","293","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C37 H20 O24 Zn4 -","- C37 H20 O24 Zn4 -","- C148 H80 O96 Zn16 -","4","0.5","","Lin, Zu-Jin; Liu, Tian-Fu; Zhao, Xiu-Ling; Lü, Jian; Cao, Rong","Designed 4,8-Connected Metal‒Organic Frameworks Based on Tetrapodal Octacarboxylate Ligands","Crystal Growth & Design","2011","11","10","4284","","10.1021/cg200919m","","","0.71073","MoKα","","0.0829","0.0761","","","0.2367","0.2488","","","","","","1.144","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501225","18.326","0.004","19.033","0.004","12.529","0.003","90","","90","","90","","4370.1","1.7","113","2","113","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C55 H62 Cd4 N6 O26 -","- C55 H62 Cd4 N6 O26 -","- C110 H124 Cd8 N12 O52 -","2","0.5","","Lin, Zu-Jin; Liu, Tian-Fu; Zhao, Xiu-Ling; Lü, Jian; Cao, Rong","Designed 4,8-Connected Metal‒Organic Frameworks Based on Tetrapodal Octacarboxylate Ligands","Crystal Growth & Design","2011","11","10","4284","","10.1021/cg200919m","","","0.71073","MoKα","","0.0441","0.0428","","","0.1165","0.1179","","","","","","1.068","","","","has coordinates,has disorder","179543","2020-10-21","18:00:00",""
"4501226","7.6417","0.0004","23.3523","0.0009","9.7987","0.0006","90","","108.017","0.007","90","","1662.85","0.16","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","EDT-TTFI2,ClO4","","","- C8 H4 Cl I2 O4 S6 -","- C8 H4 Cl I2 O4 S6 -","- C32 H16 Cl4 I8 O16 S24 -","4","1","","Shin, Kyung-Soon; Brezgunova, Mariya; Jeannin, Olivier; Roisnel, Thierry; Camerel, Franck; Auban-Senzier, Pascale; Fourmigué, Marc","Strong Iodine···Oxygen Interactions in Molecular Conductors Incorporating Sulfonate Anions","Crystal Growth & Design","2011","11","12","5337","","10.1021/cg200934r","","","0.71073","MoKα","","0.0321","0.0272","","","0.0592","0.0609","","","","","","1.166","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501227","7.755","0.0003","17.4439","0.0005","18.3384","0.0006","67.622","0.002","85.438","0.002","77.408","0.001","2238.76","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(EDT-TTFI2)2 (rac)camphorsulfonate","","","- C26 H23 I4 O4 S13 -","- C26 H23 I4 O4 S13 -","- C52 H46 I8 O8 S26 -","2","1","","Shin, Kyung-Soon; Brezgunova, Mariya; Jeannin, Olivier; Roisnel, Thierry; Camerel, Franck; Auban-Senzier, Pascale; Fourmigué, Marc","Strong Iodine···Oxygen Interactions in Molecular Conductors Incorporating Sulfonate Anions","Crystal Growth & Design","2011","11","12","5337","","10.1021/cg200934r","","","0.71073","MoKα","","0.0321","0.03","","","0.0896","0.0904","","","","","","1.317","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4501228","7.7713","0.0002","14.1238","0.0004","17.1337","0.0005","112.569","0.001","94.867","0.001","105.053","0.001","1640.7","0.08","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","(EDT-TTFI2)4,1,5-naphtalene bis(sulfonate)","","","- C42 H22 I8 O6 S26 -","- C42 H22 I8 O6 S26 -","- C42 H22 I8 O6 S26 -","1","0.5","","Shin, Kyung-Soon; Brezgunova, Mariya; Jeannin, Olivier; Roisnel, Thierry; Camerel, Franck; Auban-Senzier, Pascale; Fourmigué, Marc","Strong Iodine···Oxygen Interactions in Molecular Conductors Incorporating Sulfonate Anions","Crystal Growth & Design","2011","11","12","5337","","10.1021/cg200934r","","x-ray","0.71073","MoKα","","0.031","0.0273","","","0.0643","0.0664","","","","","","1.06","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501229","7.984","0.0007","10.7355","0.0009","11.4398","0.001","101.32","0.003","96.26","0.003","99.933","0.003","936.62","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","(EDT-TTFI2)2,2,6-naphtalene bis(sulfonate)","","","- C26 H14 I4 O6 S14 -","- C26 H14 I4 O6 S14 -","- C26 H14 I4 O6 S14 -","1","0.5","","Shin, Kyung-Soon; Brezgunova, Mariya; Jeannin, Olivier; Roisnel, Thierry; Camerel, Franck; Auban-Senzier, Pascale; Fourmigué, Marc","Strong Iodine···Oxygen Interactions in Molecular Conductors Incorporating Sulfonate Anions","Crystal Growth & Design","2011","11","12","5337","","10.1021/cg200934r","","","0.71073","MoKα","","0.0211","0.0189","","","0.0421","0.0458","","","","","","1.086","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501230","8.2897","0.0005","16.5934","0.001","17.3822","0.0009","69.717","0.002","87.867","0.002","79.992","0.002","2207.9","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(EDT-TTFI2)4,2,6-anthracene bis(sulfonate)","","","- C54 H28 I10 O6 S32 -","- C54.016 H28.032 I9.984 O6 S32.016 -","- C54.016 H28.032 I9.984 O6 S32.016 -","1","0.5","","Shin, Kyung-Soon; Brezgunova, Mariya; Jeannin, Olivier; Roisnel, Thierry; Camerel, Franck; Auban-Senzier, Pascale; Fourmigué, Marc","Strong Iodine···Oxygen Interactions in Molecular Conductors Incorporating Sulfonate Anions","Crystal Growth & Design","2011","11","12","5337","","10.1021/cg200934r","","","0.71073","MoKα","","0.0698","0.05","","","0.1356","0.145","","","","","","1.104","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4501231","7.11422","0.00013","13.5618","0.0003","25.7091","0.0005","90","","90","","90","","2480.46","0.09","213","","213","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H43 N O4 -","- C26 H43 N O4 -","- C104 H172 N4 O16 -","4","1","","Hisaki, Ichiro; Murai, Taketoshi; Yabuguchi, Hirohide; Shigemitsu, Hajime; Tohnai, Norimitsu; Miyata, Mikiji","Deoxycholamide Crystalline Frameworks as a Platform of Highly-Efficient Fluorescence Materials","Crystal Growth & Design","2011","11","10","4652","","10.1021/cg200935j","","","1.54187","CuKα","","","0.0719","","","","0.2482","","","","","","1.154","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501232","7.2948","0.0003","26.2511","0.0009","13.5197","0.0006","90","","91.019","0.0019","90","","2588.57","0.18","213","","213","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C58 H88 O8 -","- C58 H88 O8 -","- C116 H176 O16 -","2","1","","Hisaki, Ichiro; Murai, Taketoshi; Yabuguchi, Hirohide; Shigemitsu, Hajime; Tohnai, Norimitsu; Miyata, Mikiji","Deoxycholamide Crystalline Frameworks as a Platform of Highly-Efficient Fluorescence Materials","Crystal Growth & Design","2011","11","10","4652","","10.1021/cg200935j","","","1.54187","CuKα","","","0.0722","","","","0.202","","","","","","1.05","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501233","7.27171","0.00013","13.271","0.0003","25.7839","0.0005","90","","90","","90","","2488.22","0.09","213","","213","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H44 N2 O3 -","- C26 H44 N2 O3 -","- C104 H176 N8 O12 -","4","1","","Hisaki, Ichiro; Murai, Taketoshi; Yabuguchi, Hirohide; Shigemitsu, Hajime; Tohnai, Norimitsu; Miyata, Mikiji","Deoxycholamide Crystalline Frameworks as a Platform of Highly-Efficient Fluorescence Materials","Crystal Growth & Design","2011","11","10","4652","","10.1021/cg200935j","","","1.54187","CuKα","","","0.0396","","","","0.1077","","","","","","1.067","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501234","7.3377","0.0003","26.4525","0.0009","13.2866","0.0005","90","","91.334","0.002","90","","2578.24","0.17","213.1","","213.1","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C58 H90 N2 O6 -","- C58 H90 N2 O6 -","- C116 H180 N4 O12 -","2","1","","Hisaki, Ichiro; Murai, Taketoshi; Yabuguchi, Hirohide; Shigemitsu, Hajime; Tohnai, Norimitsu; Miyata, Mikiji","Deoxycholamide Crystalline Frameworks as a Platform of Highly-Efficient Fluorescence Materials","Crystal Growth & Design","2011","11","10","4652","","10.1021/cg200935j","","","1.54187","CuKα","","","0.1176","","","","0.3462","","","","","","1.048","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501235","7.745","0.003","9.175","0.004","14.9","0.007","88.982","0.004","77.227","0.005","70.695","0.004","972.8","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H21 Cl2 N O2 Ru -","- C17 H21 Cl2 N O2 Ru -","- C34 H42 Cl4 N2 O4 Ru2 -","2","1","","Bacchi, Alessia; Cantoni, Giulia; Granelli, Matteo; Mazza, Simona; Pelagatti, Paolo; Rispoli, Gabriele","Hydrogen Bond Optimization via Molecular Design for the Fabrication of Crystalline Organometallic Wheel-and-Axle Compounds Based on Half-Sandwich Ru(II) Units","Crystal Growth & Design","2011","11","11","5039","","10.1021/cg200940j","","","0.71073","MoKα","","0.0641","0.0438","","","0.0933","0.1012","","","","","","0.991","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501236","9.967","0.004","21.173","0.009","43.9","0.02","90","","90","","90","","9264","7","293","2","293","2","","","","","","","","6","F 2 d d","F -2d 2","43","","","","- C19 H25 Cl2 N O3 Ru -","- C19 H25 Cl2 N O3 Ru -","- C304 H400 Cl32 N16 O48 Ru16 -","16","1","","Bacchi, Alessia; Cantoni, Giulia; Granelli, Matteo; Mazza, Simona; Pelagatti, Paolo; Rispoli, Gabriele","Hydrogen Bond Optimization via Molecular Design for the Fabrication of Crystalline Organometallic Wheel-and-Axle Compounds Based on Half-Sandwich Ru(II) Units","Crystal Growth & Design","2011","11","11","5039","","10.1021/cg200940j","","","0.71073","MoKα","","0.0682","0.065","","","0.1718","0.1739","","","","","","1.18","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501237","9.99","0.01","21.22","0.03","11.34","0.02","90","","107.72","0.02","90","","2290","6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 Cl2 N O3 Ru -","- C21 H29 Cl2 N O3 Ru -","- C84 H116 Cl8 N4 O12 Ru4 -","4","1","","Bacchi, Alessia; Cantoni, Giulia; Granelli, Matteo; Mazza, Simona; Pelagatti, Paolo; Rispoli, Gabriele","Hydrogen Bond Optimization via Molecular Design for the Fabrication of Crystalline Organometallic Wheel-and-Axle Compounds Based on Half-Sandwich Ru(II) Units","Crystal Growth & Design","2011","11","11","5039","","10.1021/cg200940j","","","0.71073","MoKα","","0.0997","0.0738","","","0.1993","0.2206","","","","","","1.05","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501238","7.723","0.005","9.125","0.005","18.896","0.005","99.575","0.005","98.117","0.005","110.92","0.005","1197.1","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H29 Cl2 N O3 Ru -","- C22 H29 Cl2 N O3 Ru -","- C44 H58 Cl4 N2 O6 Ru2 -","2","1","","Bacchi, Alessia; Cantoni, Giulia; Granelli, Matteo; Mazza, Simona; Pelagatti, Paolo; Rispoli, Gabriele","Hydrogen Bond Optimization via Molecular Design for the Fabrication of Crystalline Organometallic Wheel-and-Axle Compounds Based on Half-Sandwich Ru(II) Units","Crystal Growth & Design","2011","11","11","5039","","10.1021/cg200940j","","","0.71073","MoKα","","0.0993","0.0786","","","0.2074","0.2269","","","","","","1.102","","","","has coordinates,has disorder","179543","2020-10-21","18:00:00",""
"4501239","7.712","0.005","8.864","0.005","14.729","0.005","88.487","0.005","82.809","0.005","68.192","0.005","927.2","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H17 Cl2 N O2 Ru -","- C16 H17 Cl2 N O2 Ru -","- C32 H34 Cl4 N2 O4 Ru2 -","2","1","","Bacchi, Alessia; Cantoni, Giulia; Granelli, Matteo; Mazza, Simona; Pelagatti, Paolo; Rispoli, Gabriele","Hydrogen Bond Optimization via Molecular Design for the Fabrication of Crystalline Organometallic Wheel-and-Axle Compounds Based on Half-Sandwich Ru(II) Units","Crystal Growth & Design","2011","11","11","5039","","10.1021/cg200940j","","","0.71073","MoKα","","0.0359","0.0285","","","0.0647","0.0681","","","","","","1.001","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501240","7.626","0.008","8.595","0.009","13.219","0.014","99.134","0.015","99.263","0.014","103.57","0.014","813.7","1.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H17 Cl2 N O2 Ru -","- C16 H17 Cl2 N O2 Ru -","- C32 H34 Cl4 N2 O4 Ru2 -","2","1","","Bacchi, Alessia; Cantoni, Giulia; Granelli, Matteo; Mazza, Simona; Pelagatti, Paolo; Rispoli, Gabriele","Hydrogen Bond Optimization via Molecular Design for the Fabrication of Crystalline Organometallic Wheel-and-Axle Compounds Based on Half-Sandwich Ru(II) Units","Crystal Growth & Design","2011","11","11","5039","","10.1021/cg200940j","","","0.71073","MoKα","","0.0774","0.0623","","","0.1488","0.1571","","","","","","1.039","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501241","8.056","0.006","8.634","0.006","11.505","0.008","86.602","0.01","80.733","0.009","76.736","0.009","768.5","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H15 Cl2 N O3 Ru -","- C13 H15 Cl2 N O3 Ru -","- C26 H30 Cl4 N2 O6 Ru2 -","2","1","","Bacchi, Alessia; Cantoni, Giulia; Granelli, Matteo; Mazza, Simona; Pelagatti, Paolo; Rispoli, Gabriele","Hydrogen Bond Optimization via Molecular Design for the Fabrication of Crystalline Organometallic Wheel-and-Axle Compounds Based on Half-Sandwich Ru(II) Units","Crystal Growth & Design","2011","11","11","5039","","10.1021/cg200940j","","","0.71073","MoKα","","0.0941","0.0806","","","0.2121","0.2232","","","","","","1.089","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501242","21.421","0.004","11.107","0.002","15.888","0.003","90","","126.51","0.03","90","","3038.3","1.5","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C34 H30 Cd N4 O5 -","- C34 H30 Cd N4 O5 -","- C136 H120 Cd4 N16 O20 -","4","1","","Xu, Chunying; Li, Linke; Wang, Yinping; Guo, Qianqian; Wang, Xianjuan; Hou, Hongwei; Fan, Yaoting","Three-Dimensional Cd(II) Coordination Polymers Based on Semirigid Bis(Methylbenzimidazole) and Aromatic Polycarboxylates: Syntheses, Topological Structures and Photoluminescent Properties","Crystal Growth & Design","2011","11","10","4667","","10.1021/cg200961a","","","0.71073","MoKα","","0.0705","0.0648","","","0.162","0.1688","","","","","","1.062","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501243","10.938","0.002","20.601","0.004","8.6455","0.0017","90","","99.75","0.03","90","","1920","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cd N2 O4 -","- C22 H19 Cd N2 O4 -","- C88 H76 Cd4 N8 O16 -","4","1","","Xu, Chunying; Li, Linke; Wang, Yinping; Guo, Qianqian; Wang, Xianjuan; Hou, Hongwei; Fan, Yaoting","Three-Dimensional Cd(II) Coordination Polymers Based on Semirigid Bis(Methylbenzimidazole) and Aromatic Polycarboxylates: Syntheses, Topological Structures and Photoluminescent Properties","Crystal Growth & Design","2011","11","10","4667","","10.1021/cg200961a","","","0.71073","MoKα","","0.0452","0.0378","","","0.0813","0.0854","","","","","","1.074","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501244","9.9","0.002","10.868","0.002","15.037","0.003","90","0.03","102.16","0.03","109.35","0.03","1488","0.6","293.15","","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Cd N4 O4 -","- C34 H30 Cd N4 O4 -","- C68 H60 Cd2 N8 O8 -","2","1","","Xu, Chunying; Li, Linke; Wang, Yinping; Guo, Qianqian; Wang, Xianjuan; Hou, Hongwei; Fan, Yaoting","Three-Dimensional Cd(II) Coordination Polymers Based on Semirigid Bis(Methylbenzimidazole) and Aromatic Polycarboxylates: Syntheses, Topological Structures and Photoluminescent Properties","Crystal Growth & Design","2011","11","10","4667","","10.1021/cg200961a","","","0.71073","MoKα","","0.045","0.039","","","0.0901","0.0942","","","","","","1.05","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501245","11.941","0.002","13.8","0.003","14.351","0.003","90","","97.81","0.03","90","","2342.9","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 Cd N2 O5 -","- C26 H19 Cd N2 O5 -","- C104 H76 Cd4 N8 O20 -","4","1","","Xu, Chunying; Li, Linke; Wang, Yinping; Guo, Qianqian; Wang, Xianjuan; Hou, Hongwei; Fan, Yaoting","Three-Dimensional Cd(II) Coordination Polymers Based on Semirigid Bis(Methylbenzimidazole) and Aromatic Polycarboxylates: Syntheses, Topological Structures and Photoluminescent Properties","Crystal Growth & Design","2011","11","10","4667","","10.1021/cg200961a","","","0.71073","MoKα","","0.0637","0.0499","","","0.0864","0.0935","","","","","","1.076","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501246","22.289","0.004","9.918","0.002","17.866","0.004","90","","123.07","0.03","90","","3309.7","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 Cd N4 O4 -","- C38 H30 Cd N4 O4 -","- C152 H120 Cd4 N16 O16 -","4","0.5","","Xu, Chunying; Li, Linke; Wang, Yinping; Guo, Qianqian; Wang, Xianjuan; Hou, Hongwei; Fan, Yaoting","Three-Dimensional Cd(II) Coordination Polymers Based on Semirigid Bis(Methylbenzimidazole) and Aromatic Polycarboxylates: Syntheses, Topological Structures and Photoluminescent Properties","Crystal Growth & Design","2011","11","10","4667","","10.1021/cg200961a","","","0.71073","MoKα","","0.0402","0.0393","","","0.0947","0.0954","","","","","","1.078","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501247","13.967","0.003","15.1","0.003","17.078","0.003","90","","105.38","0.03","90","","3472.8","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H55 Cd4 N8 O18 -","- C76 H55 Cd4 N8 O18 -","- C152 H110 Cd8 N16 O36 -","2","0.5","","Xu, Chunying; Li, Linke; Wang, Yinping; Guo, Qianqian; Wang, Xianjuan; Hou, Hongwei; Fan, Yaoting","Three-Dimensional Cd(II) Coordination Polymers Based on Semirigid Bis(Methylbenzimidazole) and Aromatic Polycarboxylates: Syntheses, Topological Structures and Photoluminescent Properties","Crystal Growth & Design","2011","11","10","4667","","10.1021/cg200961a","","","0.71073","MoKα","","0.0563","0.0512","","","0.1066","0.11","","","","","","1.064","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501248","13.1497","0.001","14.2074","0.0011","18.4957","0.0014","90","","97.294","0.002","90","","3427.5","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 Cl2 Hg N2 O4 S2 -","- C30 H42 Cl2 Hg N2 O4 S2 -","- C120 H168 Cl8 Hg4 N8 O16 S8 -","4","1","","Casas, José S.; Collazo, Ricardo; Couce, María D.; García-Vega, Manuel; Sánchez, Agustín; Sordo, José; Vázquez-López, Ezequiel M.","Mercury(II) Complexes Containing the [Hg(L)2]2‒, [Hg(L)(HL)]−, and [Hg(HL)2] Units [H2L = 3-(2-Chlorophenyl)-2-sulfanylpropenoic Acid]. Structural and Spectroscopic Effects of the Different Degrees of Ligand Protonation","Crystal Growth & Design","2011","11","12","5370","","10.1021/cg200963g","","","0.71073","MoKα","","0.1866","0.0469","","","0.0608","0.0799","","","","","","0.74","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501249","15.2002","0.0013","10.5386","0.0009","18.6041","0.0015","90","","113.418","0.002","90","","2734.7","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 Cl2 Hg N O4 S2 -","- C24 H27 Cl2 Hg N O4 S2 -","- C96 H108 Cl8 Hg4 N4 O16 S8 -","4","1","","Casas, José S.; Collazo, Ricardo; Couce, María D.; García-Vega, Manuel; Sánchez, Agustín; Sordo, José; Vázquez-López, Ezequiel M.","Mercury(II) Complexes Containing the [Hg(L)2]2‒, [Hg(L)(HL)]−, and [Hg(HL)2] Units [H2L = 3-(2-Chlorophenyl)-2-sulfanylpropenoic Acid]. Structural and Spectroscopic Effects of the Different Degrees of Ligand Protonation","Crystal Growth & Design","2011","11","12","5370","","10.1021/cg200963g","","","0.71073","MoKα","","0.0812","0.0381","","","0.0721","0.0878","","","","","","1.038","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501250","4.0068","0.0001","13.5443","0.0004","24.6328","0.0007","90","","90.326","0.001","90","","1336.78","0.06","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 Cl2 Hg O8 S2 -","- C18 H12 Cl2 Hg O8 S2 -","- C36 H24 Cl4 Hg2 O16 S4 -","2","0.5","","Casas, José S.; Collazo, Ricardo; Couce, María D.; García-Vega, Manuel; Sánchez, Agustín; Sordo, José; Vázquez-López, Ezequiel M.","Mercury(II) Complexes Containing the [Hg(L)2]2‒, [Hg(L)(HL)]−, and [Hg(HL)2] Units [H2L = 3-(2-Chlorophenyl)-2-sulfanylpropenoic Acid]. Structural and Spectroscopic Effects of the Different Degrees of Ligand Protonation","Crystal Growth & Design","2011","11","12","5370","","10.1021/cg200963g","","","0.71073","MoKα","","0.0701","0.0501","","","0.1243","0.1369","","","","","","1.143","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501251","3.7181","0.0011","6.76","0.002","10.202","0.003","106.78","0.02","92.74","0.02","92.82","0.03","244.69","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 F2 O2 Tl -","- C4 F2 O2 Tl -","- C8 F4 O4 Tl2 -","2","1","","Seidel, Christiane; Ahlers, Ruth; Ruschewitz, Uwe","Coordination Polymers with Tetrafluoroterephthalate as Bridging Ligand","Crystal Growth & Design","2011","11","11","5053","","10.1021/cg200974h","","","0.71073","MoKα","","0.0513","0.0417","","","0.1061","0.113","","","","","","1.053","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501252","7.3534","0.0011","8.8387","0.0013","10.4471","0.0016","76.527","0.012","73.958","0.012","68.095","0.011","598.99","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 F8 O15 Pb2 -","- C16 H12 F8 O15 Pb2 -","- C16 H12 F8 O15 Pb2 -","1","0.5","","Seidel, Christiane; Ahlers, Ruth; Ruschewitz, Uwe","Coordination Polymers with Tetrafluoroterephthalate as Bridging Ligand","Crystal Growth & Design","2011","11","11","5053","","10.1021/cg200974h","","","0.71073","MoKα","","0.0319","0.0245","","","0.0488","0.0513","","","","","","1.041","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501253","5.1941","0.001","6.4197","0.0013","9.3841","0.0018","73.02","0.02","88.35","0.02","76.35","0.02","290.54","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H8 F4 O8 Zn -","- C8 H8 F4 O8 Zn -","- C8 H8 F4 O8 Zn -","1","0.5","","Seidel, Christiane; Ahlers, Ruth; Ruschewitz, Uwe","Coordination Polymers with Tetrafluoroterephthalate as Bridging Ligand","Crystal Growth & Design","2011","11","11","5053","","10.1021/cg200974h","","","0.71073","MoKα","","0.0428","0.0339","","","0.0756","0.0783","","","","","","1.045","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501254","5.1691","0.0013","6.4094","0.0016","9.396","0.003","72.66","0.03","88.67","0.03","76.9","0.03","289.09","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H8 Co F4 O8 -","- C8 H8 Co F4 O8 -","- C8 H8 Co F4 O8 -","1","0.5","","Seidel, Christiane; Ahlers, Ruth; Ruschewitz, Uwe","Coordination Polymers with Tetrafluoroterephthalate as Bridging Ligand","Crystal Growth & Design","2011","11","11","5053","","10.1021/cg200974h","","","0.71073","MoKα","","0.0871","0.0759","","","0.1934","0.2084","","","","","","1.042","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501255","8.2336","0.0011","19.402","0.002","9.697","0.0012","90","","101.727","0.015","90","","1516.7","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H20 F8 N2 O11 Zn2 -","- C24 H20 F8 N2 O11 Zn2 -","- C48 H40 F16 N4 O22 Zn4 -","2","1","","Seidel, Christiane; Ahlers, Ruth; Ruschewitz, Uwe","Coordination Polymers with Tetrafluoroterephthalate as Bridging Ligand","Crystal Growth & Design","2011","11","11","5053","","10.1021/cg200974h","","","0.71073","MoKα","","0.0686","0.0466","","","0.1017","0.1108","","","","","","0.933","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501256","8.4375","0.001","19.512","0.002","9.7423","0.001","90","","101.824","0.013","90","","1569.9","0.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H20 F8 Mn2 N2 O11 -","- C24 H20 F8 Mn2 N2 O11 -","- C48 H40 F16 Mn4 N4 O22 -","2","1","","Seidel, Christiane; Ahlers, Ruth; Ruschewitz, Uwe","Coordination Polymers with Tetrafluoroterephthalate as Bridging Ligand","Crystal Growth & Design","2011","11","11","5053","","10.1021/cg200974h","","","0.71073","MoKα","","0.0955","0.0558","","","0.1172","0.1322","","","","","","0.904","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501257","10.113","0.0011","10.7154","0.0012","10.7332","0.0012","60.861","0.001","80.486","0.001","76.604","0.001","986.37","0.19","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H16 Cu3 O28 P4 U2 -","- C28 H16 Cu3 O28 P4 U2 -","- C28 H16 Cu3 O28 P4 U2 -","1","0.5","","Adelani, Pius O.; Albrecht-Schmitt, Thomas E.","Heterobimetallic Copper(II) Uranyl Carboxyphenylphosphonates","Crystal Growth & Design","2011","11","10","4676","","10.1021/cg200978y","","","0.71073","MoKα","","0.0403","0.0322","","","0.1029","0.1123","","","","","","0.861","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501258","9.595","0.003","10.33","0.003","13.67","0.004","75.702","0.003","88.854","0.004","65.345","0.003","1187.9","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H16 Cu2 O33 P4 U3 -","- C28 H16 Cu2 O33 P4 U3 -","- C28 H16 Cu2 O33 P4 U3 -","1","0.5","","Adelani, Pius O.; Albrecht-Schmitt, Thomas E.","Heterobimetallic Copper(II) Uranyl Carboxyphenylphosphonates","Crystal Growth & Design","2011","11","10","4676","","10.1021/cg200978y","","","0.71073","MoKα","","0.0631","0.0435","","","0.1043","0.1114","","","","","","1.243","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501259","18.621","0.003","18.621","0.003","69.793","0.014","90","","90","","120","","20958","6","99","2","99","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C14 H10 Cu N2 O4 -","- C14 H10 Cu N2 O4 -","- C504 H360 Cu36 N72 O144 -","36","1","","Liu, Xinfang; Oh, Minhak; Lah, Myoung Soo","Adsorbate Selectivity of Isoreticular Microporous Metal‒Organic Frameworks with Similar Static Pore Dimensions","Crystal Growth & Design","2011","11","11","5064","","10.1021/cg200983y","","","0.8","synchrotron","","0.0785","0.0734","","","0.2157","0.2209","","","","","","1.072","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4501260","8.4166","0.0004","8.8831","0.0004","10.5541","0.0005","112.742","0.001","90.845","0.001","107.401","0.001","686.77","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H32 Br6 Ce2 O8 -","- C8 H32 Br6 Ce2 O8 -","- C8 H32 Br6 Ce2 O8 -","1","0.5","","Vaughn, Shae Anne; Severance, Rachel C.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth, Structural Motifs, and Optical Properties of Molecular and Polymeric Cerium Halide Materials","Crystal Growth & Design","2011","11","11","5072","","10.1021/cg200985m","","","0.71073","MoKα","","0.0311","0.0253","","","0.0586","0.0606","","","","","","1.024","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501261","9.6245","0.0005","14.2124","0.0007","12.7436","0.0006","90","","90.199","0.001","90","","1743.15","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H48 Br6 Ce2 O8 -","- C16 H48 Br6 Ce2 O8 -","- C32 H96 Br12 Ce4 O16 -","2","0.5","","Vaughn, Shae Anne; Severance, Rachel C.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth, Structural Motifs, and Optical Properties of Molecular and Polymeric Cerium Halide Materials","Crystal Growth & Design","2011","11","11","5072","","10.1021/cg200985m","","","0.71073","MoKα","","0.0318","0.0245","","","0.0555","0.0583","","","","","","1.024","","","","has coordinates,has disorder","179543","2020-10-21","18:00:00",""
"4501262","6.9877","0.0005","8.7234","0.0006","8.7851","0.0006","66.055","0.001","74.133","0.001","89.17","0.001","467.93","0.06","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H10 Ce Cl3 O3 -","- C2 H10 Ce Cl3 O3 -","- C4 H20 Ce2 Cl6 O6 -","2","1","","Vaughn, Shae Anne; Severance, Rachel C.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth, Structural Motifs, and Optical Properties of Molecular and Polymeric Cerium Halide Materials","Crystal Growth & Design","2011","11","11","5072","","10.1021/cg200985m","","","0.71073","MoKα","","0.0215","0.0198","","","0.0467","0.0476","","","","","","1.039","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501263","6.7897","0.0006","8.5362","0.0007","9.1909","0.0008","106.227","0.001","110.362","0.001","99.697","0.001","458.15","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H10 Ce Cl3 O3 -","- C2 H10 Ce Cl3 O3 -","- C4 H20 Ce2 Cl6 O6 -","2","1","","Vaughn, Shae Anne; Severance, Rachel C.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth, Structural Motifs, and Optical Properties of Molecular and Polymeric Cerium Halide Materials","Crystal Growth & Design","2011","11","11","5072","","10.1021/cg200985m","","","0.71073","MoKα","","0.0164","0.0155","","","0.0375","0.038","","","","","","1.042","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501264","22.321","0.0017","9.2553","0.0007","14.2247","0.0011","90","","96.847","0.001","90","","2917.7","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H18 Br3 Ce O3 -","- C6 H18 Br3 Ce O3 -","- C48 H144 Br24 Ce8 O24 -","8","1","","Vaughn, Shae Anne; Severance, Rachel C.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth, Structural Motifs, and Optical Properties of Molecular and Polymeric Cerium Halide Materials","Crystal Growth & Design","2011","11","11","5072","","10.1021/cg200985m","","","0.71073","MoKα","","0.0298","0.0259","","","0.0606","0.0623","","","","","","1.042","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501265","10.9064","0.0007","11.6119","0.0008","14.151","0.001","108.177","0.001","111.473","0.001","95.749","0.001","1537.25","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H86 Br10 Ce4 O14 -","- C30 H86 Br10 Ce4 O14 -","- C30 H86 Br10 Ce4 O14 -","1","0.5","","Vaughn, Shae Anne; Severance, Rachel C.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth, Structural Motifs, and Optical Properties of Molecular and Polymeric Cerium Halide Materials","Crystal Growth & Design","2011","11","11","5072","","10.1021/cg200985m","","","0.71073","MoKα","","0.026","0.0208","","","0.0451","0.0465","","","","","","1.027","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501266","22.383","0.002","8.9005","0.0008","13.7495","0.0012","90","","97.001","0.001","90","","2718.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H18 Ce Cl3 O3 -","- C6 H18 Ce Cl3 O3 -","- C48 H144 Ce8 Cl24 O24 -","8","1","","Vaughn, Shae Anne; Severance, Rachel C.; Smith, Mark D.; zur Loye, Hans-Conrad","Crystal Growth, Structural Motifs, and Optical Properties of Molecular and Polymeric Cerium Halide Materials","Crystal Growth & Design","2011","11","11","5072","","10.1021/cg200985m","","","0.71073","MoKα","","0.0204","0.0183","","","0.0437","0.0445","","","","","","1.057","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501267","7.31","0.002","11.83","0.003","13.276","0.004","83.311","0.004","77.624","0.004","76.431","0.004","1087.4","0.5","100","","100","","","","","","","","","4","P -1","-P 1","2","","1,3-adamantanedicarboxylic acid 1,3-di(pyridin-4-yl)propane complex","","- C25 H30 N2 O4 -","- C25 H30 N2 O4 -","- C50 H60 N4 O8 -","2","1","","Manjare, Yogesh; Pedireddi, V. R.","Co-Crystals of 1,3-Adamantanedicarboxylic Acid with N-Oxide and Aza Compounds","Crystal Growth & Design","2011","11","11","5079","","10.1021/cg200987z","","","0.71073","MoKα","","0.0451","0.0396","","","0.1003","0.1036","","","","","","1.06","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501268","6.3778","0.0013","25.714","0.005","6.5647","0.0013","90","","110.23","0.03","90","","1010.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","1,3-adamantanedicarboxylic acid E-1,2-di(pyridine-4yl)diazene","","- C22 H23 N4 O4 -","- C22 H23 N4 O4 -","- C44 H46 N8 O8 -","2","0.5","","Manjare, Yogesh; Pedireddi, V. R.","Co-Crystals of 1,3-Adamantanedicarboxylic Acid with N-Oxide and Aza Compounds","Crystal Growth & Design","2011","11","11","5079","","10.1021/cg200987z","","","0.71073","MoKα","","0.1563","0.0766","","","0.1857","0.2143","","","","","","1.022","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501269","23.332","0.007","13.044","0.004","13.742","0.004","90","","95.881","0.005","90","","4160","2","297","","297","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3-adamantanedicarboxylic acid (E)-2,2'-(ethene-1,2-diyl)dipyridine 1-oxide","","- C24 H26 N2 O6 -","- C24 H26 N2 O6 -","- C192 H208 N16 O48 -","8","1","","Manjare, Yogesh; Pedireddi, V. R.","Co-Crystals of 1,3-Adamantanedicarboxylic Acid with N-Oxide and Aza Compounds","Crystal Growth & Design","2011","11","11","5079","","10.1021/cg200987z","","","0.71073","MoKα","","0.0873","0.067","","","0.1595","0.172","","","","","","1.112","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501270","6.8121","0.0011","13.329","0.002","32.622","0.005","90","","90","","90","","2962","0.8","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,3-adamantanedicarboxylic acid and 1,7-phenanthroline complex","","- C36 H32 N4 O4 -","- C36 H32 N4 O4 -","- C144 H128 N16 O16 -","4","1","","Manjare, Yogesh; Pedireddi, V. R.","Co-Crystals of 1,3-Adamantanedicarboxylic Acid with N-Oxide and Aza Compounds","Crystal Growth & Design","2011","11","11","5079","","10.1021/cg200987z","","","0.71073","MoKα","","0.068","0.0484","","","0.1057","0.1249","","","","","","1.145","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501271","8.59","0.03","14.65","0.04","24.1","0.07","90","","97.88","0.05","90","","3004","16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1,3-adamantanedicarboxylic acid 1,7-phenanthroline complex","","- C36 H32 N4 O4 -","- C36 H32 N4 O4 -","- C144 H128 N16 O16 -","4","1","","Manjare, Yogesh; Pedireddi, V. R.","Co-Crystals of 1,3-Adamantanedicarboxylic Acid with N-Oxide and Aza Compounds","Crystal Growth & Design","2011","11","11","5079","","10.1021/cg200987z","","","0.71073","MoKα","","0.08","0.0655","","","0.1712","0.1836","","","","","","1.238","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501272","9.5177","0.0017","17.235","0.003","10.9094","0.0019","90","","93.011","0.003","90","","1787.1","0.5","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 N2 O5 -","- C19 H20 N2 O5 -","- C76 H80 N8 O20 -","4","1","","Hisamatsu, Shugo; Masu, Hyuma; Azumaya, Isao; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","U-Shaped Aromatic Ureadicarboxylic Acids as Versatile Building Blocks: Construction of Ladder and Zigzag Networks and Channels","Crystal Growth & Design","2011","11","12","5387","","10.1021/cg200988w","","","0.71073","MoKα","","0.0555","0.0377","","","0.0907","0.1004","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501273","9.4088","0.0012","18.474","0.002","10.9396","0.0013","90","","95.535","0.001","90","","1892.6","0.4","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C84 H80 N8 O20 -","4","1","","Hisamatsu, Shugo; Masu, Hyuma; Azumaya, Isao; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","U-Shaped Aromatic Ureadicarboxylic Acids as Versatile Building Blocks: Construction of Ladder and Zigzag Networks and Channels","Crystal Growth & Design","2011","11","12","5387","","10.1021/cg200988w","","","0.71073","MoKα","","0.048","0.0375","","","0.0867","0.0926","","","","","","1.045","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501274","9.9661","0.0001","18.3254","0.0002","14.3623","0.0002","90","","101.586","0.001","90","","2569.58","0.05","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 N2 O6 -","- C29 H26 N2 O6 -","- C116 H104 N8 O24 -","4","1","","Hisamatsu, Shugo; Masu, Hyuma; Azumaya, Isao; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","U-Shaped Aromatic Ureadicarboxylic Acids as Versatile Building Blocks: Construction of Ladder and Zigzag Networks and Channels","Crystal Growth & Design","2011","11","12","5387","","10.1021/cg200988w","","","1.54178","CuKα","","0.0387","0.0362","","","0.0963","0.0991","","","","","","1.046","","","","has coordinates,has disorder","179543","2020-10-21","18:00:00",""
"4501275","8.3904","0.0001","15.005","0.0002","22.5231","0.0003","90","","96.43","0.001","90","","2817.77","0.06","173","","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H24 N6 O5 S2 -","- C31 H24 N6 O5 S2 -","- C124 H96 N24 O20 S8 -","4","0.5","","Hisamatsu, Shugo; Masu, Hyuma; Azumaya, Isao; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","U-Shaped Aromatic Ureadicarboxylic Acids as Versatile Building Blocks: Construction of Ladder and Zigzag Networks and Channels","Crystal Growth & Design","2011","11","12","5387","","10.1021/cg200988w","","","0.71073","MoKα","","0.0733","0.0456","","","0.1137","0.1263","","","","","","1.048","","","","has coordinates,has disorder","179543","2020-10-21","18:00:00",""
"4501276","11.842","0.003","16.252","0.003","14.325","0.004","90","","109.151","0.002","90","","2604.4","1.1","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H28 N4 O5 -","- C29 H28 N4 O5 -","- C116 H112 N16 O20 -","4","0.5","","Hisamatsu, Shugo; Masu, Hyuma; Azumaya, Isao; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","U-Shaped Aromatic Ureadicarboxylic Acids as Versatile Building Blocks: Construction of Ladder and Zigzag Networks and Channels","Crystal Growth & Design","2011","11","12","5387","","10.1021/cg200988w","","","0.71073","MoKα","","0.0759","0.0469","","","0.1062","0.1191","","","","","","1.127","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501277","22.746","0.003","31.072","0.004","25.14","0.004","90","","115.475","0.001","90","","16041","4","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C71 H97 N16 O26.5 -","- C71 H77 N16 O26.5 -","- C568 H616 N128 O212 -","8","1","","Hisamatsu, Shugo; Masu, Hyuma; Azumaya, Isao; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","U-Shaped Aromatic Ureadicarboxylic Acids as Versatile Building Blocks: Construction of Ladder and Zigzag Networks and Channels","Crystal Growth & Design","2011","11","12","5387","","10.1021/cg200988w","","","0.71073","MoKα","","0.096","0.0624","","","0.1729","0.1953","","","","","","1.024","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4501278","25.698","0.0004","19.7165","0.0004","30.1786","0.0006","90","","90","","90","","15290.7","0.5","173","","173","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C73 H91 N16 O21.5 -","- C73 H80 N16 O21.5 -","- C584 H640 N128 O172 -","8","1","","Hisamatsu, Shugo; Masu, Hyuma; Azumaya, Isao; Takahashi, Masahiro; Kishikawa, Keiki; Kohmoto, Shigeo","U-Shaped Aromatic Ureadicarboxylic Acids as Versatile Building Blocks: Construction of Ladder and Zigzag Networks and Channels","Crystal Growth & Design","2011","11","12","5387","","10.1021/cg200988w","","","1.54178","CuKα","","0.0746","0.063","","","0.1801","0.1898","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4501279","15.417","0.005","25.356","0.005","14.384","0.005","90","0.005","108.842","0.005","90","0.005","5322","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H52 N4 O12 Zn -","- C56 H52 N4 O12 Zn -","- C224 H208 N16 O48 Zn4 -","4","0.5","","Bhuyan, Jagannath; Sarkar, Sabyasachi","Self-Assembly of Magnesium and Zinc Trimethoxyphenylporphyrin Polymer as Nanospheres and Nanorods","Crystal Growth & Design","2011","11","12","5410","","10.1021/cg2010002","","","0.71069","MoKα","","0.0672","0.0532","","","0.1402","0.151","","","","","","1.069","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501280","15.491","0.005","25.283","0.005","14.293","0.005","90","0.005","108.877","0.005","90","0.005","5297","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H52 Mg N4 O12 -","- C56 H52 Mg N4 O12 -","- C224 H208 Mg4 N16 O48 -","4","0.5","","Bhuyan, Jagannath; Sarkar, Sabyasachi","Self-Assembly of Magnesium and Zinc Trimethoxyphenylporphyrin Polymer as Nanospheres and Nanorods","Crystal Growth & Design","2011","11","12","5410","","10.1021/cg2010002","","","0.71069","MoKα","","0.1193","0.0743","","","0.2048","0.2369","","","","","","0.984","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501281","8.5224","0.0007","10.6036","0.0009","18.3452","0.0014","103.901","0.007","92.165","0.006","111.942","0.007","1477.6","0.2","453","2","453","2","","","","","","","","6","P -1","-P 1","2","Cu-Sulphoisophthalate","","","- C20 H12 Cu6 N0 O22 S2 -","- C20 H12 Cu6 O22 S2 -","- C40 H24 Cu12 O44 S4 -","2","1","","Sarma, Debajit; Natarajan, Srinivasan","Usefulness of in Situ Single Crystal to Single Crystal Transformation (SCSC) Studies in Understanding the Temperature-Dependent Dimensionality Cross-over and Structural Reorganization in Copper-Containing Metal‒Organic Frameworks (MOFs)","Crystal Growth & Design","2011","11","12","5415","","10.1021/cg201003d","","","0.71073","MoKα","","0.1845","0.0955","","","0.2266","0.2634","","","","","","0.957","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501282","9.855","0.001","10.2262","0.0012","11.2271","0.0012","87.016","0.009","64.142","0.01","68.121","0.01","936.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Cu-Nitroisophthalate","","","- C32 H12 Cu5 N4 O26 -","- C32 H12 Cu5 N4 O26 -","- C32 H12 Cu5 N4 O26 -","1","0.5","","Sarma, Debajit; Natarajan, Srinivasan","Usefulness of in Situ Single Crystal to Single Crystal Transformation (SCSC) Studies in Understanding the Temperature-Dependent Dimensionality Cross-over and Structural Reorganization in Copper-Containing Metal‒Organic Frameworks (MOFs)","Crystal Growth & Design","2011","11","12","5415","","10.1021/cg201003d","","","0.71073","MoKα","","0.0717","0.044","","","0.1061","0.1172","","","","","","1.005","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501283","9.0215","0.0011","5.1904","0.0005","33.712","0.003","90","","95.613","0.012","90","","1571","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N5 O4 -","- C16 H15 N5 O4 -","- C64 H60 N20 O16 -","4","1","","McHugh, Charlene; Erxleben, Andrea","Supramolecular Structures and Tautomerism of Carboxylate Salts of Adenine and Pharmaceutically RelevantN6-Substituted Adenine","Crystal Growth & Design","2011","11","11","5096","","10.1021/cg201007m","","","0.71073","MoKα","","0.1237","0.0742","","","0.1288","0.1519","","","","","","1.142","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501284","8.4126","0.0004","11.7538","0.0004","13.5103","0.0006","90","","103.951","0.005","90","","1296.49","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N5 O2 -","- C13 H12 N5 O2 -","- C52 H48 N20 O8 -","4","1","","McHugh, Charlene; Erxleben, Andrea","Supramolecular Structures and Tautomerism of Carboxylate Salts of Adenine and Pharmaceutically RelevantN6-Substituted Adenine","Crystal Growth & Design","2011","11","11","5096","","10.1021/cg201007m","","","0.71073","MoKα","","0.0571","0.0408","","","0.0967","0.1059","","","","","","1.041","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501285","13.8273","0.0009","16.7538","0.0009","13.0832","0.0009","90","","100.822","0.006","90","","2976.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 N15 O10 -","- C23 H27 N15 O10 -","- C92 H108 N60 O40 -","4","1","","McHugh, Charlene; Erxleben, Andrea","Supramolecular Structures and Tautomerism of Carboxylate Salts of Adenine and Pharmaceutically RelevantN6-Substituted Adenine","Crystal Growth & Design","2011","11","11","5096","","10.1021/cg201007m","","","0.71073","MoKα","","0.1457","0.0544","","","0.0787","0.1105","","","","","","0.901","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501286","11.0271","0.0003","16.9334","0.0005","9.6188","0.0003","90","","90","","90","","1796.08","0.09","180","","180","","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C32 H27 N8 O17.5 Zr -","- C32 H26 N8 O17.5 Zr -","- C64 H52 N16 O35 Zr2 -","2","0.5","","Mouchaham, Georges; Roques, Nans; Brandès, Stéphane; Duhayon, Carine; Sutter, Jean-Pascal","Self-Assembly of Zr(C2O4)44‒Metallotectons and Bisimidazolium Cations: Influence of the Dication on H-Bonded Framework Dimensionality and Material Potential Porosity","Crystal Growth & Design","2011","11","12","5424","","10.1021/cg201008v","","","0.71073","MoKα","","0.036","0.0302","","0.0396","0.0339","0.033","","","","","","1.1286","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501287","10.699","0.003","16.784","0.006","10.022","0.003","90","","90","","90","","1799.7","1","373","2","373","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C16 H12 N4 O8 Zr0.5 -","- C16 H12 N4 O8 Zr0.5 -","- C64 H48 N16 O32 Zr2 -","4","1","","Mouchaham, Georges; Roques, Nans; Brandès, Stéphane; Duhayon, Carine; Sutter, Jean-Pascal","Self-Assembly of Zr(C2O4)44‒Metallotectons and Bisimidazolium Cations: Influence of the Dication on H-Bonded Framework Dimensionality and Material Potential Porosity","Crystal Growth & Design","2011","11","12","5424","","10.1021/cg201008v","","","0.71073","MoKα","","0.074","0.0551","","","0.1359","0.151","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501288","19.896","0.005","10.154","0.005","21.312","0.005","90","0.005","96.116","0.005","90","0.005","4281","3","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 N8 O22 Zr -","- C36 H40 N8 O22 Zr -","- C144 H160 N32 O88 Zr4 -","4","0.5","","Mouchaham, Georges; Roques, Nans; Brandès, Stéphane; Duhayon, Carine; Sutter, Jean-Pascal","Self-Assembly of Zr(C2O4)44‒Metallotectons and Bisimidazolium Cations: Influence of the Dication on H-Bonded Framework Dimensionality and Material Potential Porosity","Crystal Growth & Design","2011","11","12","5424","","10.1021/cg201008v","","","0.71073","MoKα","","0.0353","0.0324","","","0.0945","0.0961","","","","","","1.082","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501289","21.313","0.005","10.974","0.005","18.5","0.005","90","0.005","97.862","0.005","90","0.005","4286","2","180","","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 N8 O20 Zr -","- C36 H32 N8 O20 Zr -","- C144 H128 N32 O80 Zr4 -","4","0.5","","Mouchaham, Georges; Roques, Nans; Brandès, Stéphane; Duhayon, Carine; Sutter, Jean-Pascal","Self-Assembly of Zr(C2O4)44‒Metallotectons and Bisimidazolium Cations: Influence of the Dication on H-Bonded Framework Dimensionality and Material Potential Porosity","Crystal Growth & Design","2011","11","12","5424","","10.1021/cg201008v","","","0.71073","MoKα","","0.0501","0.0444","","","0.1479","0.1517","","","","","","1.094","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501290","15.8577","0.0004","21.8722","0.0007","22.3681","0.0007","90","","90","","90","","7758.2","0.4","100","","100","","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C36 H33 N8 O16.5 Zr -","- C36 H32 N8 O16.5 Zr -","- C288 H256 N64 O132 Zr8 -","8","0.5","","Mouchaham, Georges; Roques, Nans; Brandès, Stéphane; Duhayon, Carine; Sutter, Jean-Pascal","Self-Assembly of Zr(C2O4)44–Metallotectons and Bisimidazolium Cations: Influence of the Dication on H-Bonded Framework Dimensionality and Material Potential Porosity","Crystal Growth & Design","2011","11","12","5424","","10.1021/cg201008v","","","0.71073","MoKα","","0.0557","0.0422","","0.0724","0.0407","0.0366","","","","","","1.0717","","","","has coordinates","288252","2023-12-12","14:26:24",""
"4501291","13.8592","0.0004","13.0033","0.0004","22.7481","0.0007","90","","104.311","0.001","90","","3972.3","0.2","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 N8 O19 Zr -","- C32 H24 N8 O19 Zr -","- C128 H96 N32 O76 Zr4 -","4","1","","Mouchaham, Georges; Roques, Nans; Brandès, Stéphane; Duhayon, Carine; Sutter, Jean-Pascal","Self-Assembly of Zr(C2O4)44‒Metallotectons and Bisimidazolium Cations: Influence of the Dication on H-Bonded Framework Dimensionality and Material Potential Porosity","Crystal Growth & Design","2011","11","12","5424","","10.1021/cg201008v","","","0.71073","MoKα","","0.1139","0.0569","","0.1026","0.06","0.0569","","","","","","0.9823","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501292","16.55518","0.0002","5.52088","0.00007","8.88587","0.00008","90","","90","","90","","812.161","0.016","298","","298","","","","","","","","","3","P m 21 n","P -2ab -2","31","","","","- La6 O18 W3 -","- La6 O18 W3 -","- La12 O36 W6 -","2","0.5","","Allix, Mathieu; Chambrier, Marie-Hélène; Véron, Emmanuel; Porcher, Florence; Suchomel, Matthew; Goutenoire, François","Synthesis and Structure Determination of the High Temperature Form of La2WO6","Crystal Growth & Design","2011","11","11","5105","","10.1021/cg201010y","powder diffraction","neutron","1.2254","ConstantWavelengthNeutronDiffraction","","","","","","","","","3.7302","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501293","9.571","0.001","11.412","0.001","15.354","0.001","100.112","0.002","104.855","0.002","107.673","0.002","1484.9","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 N2 Ni O5 -","- C32 H32 N2 Ni O5 -","- C64 H64 N4 Ni2 O10 -","2","1","","Hara, Satomi; Houjou, Hirohiko; Yoshikawa, Isao; Araki, Koji","Relation between Crystal Packing and Optical Anisotropy for Schiff Base-Nickel Complexes that Form Various Ladder-like Hydrogen-Bonding Networks","Crystal Growth & Design","2011","11","11","5113","","10.1021/cg201013v","","","1.54184","CuKα","","0.1429","0.1345","","","0.2842","0.2893","","","","","","1.174","","","","has coordinates,has disorder","179543","2020-10-21","18:00:00",""
"4501294","7.991","0.001","9.525","0.001","11.412","0.001","73.263","0.002","69.952","0.002","89.353","0.002","777.72","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H44 N2 Ni O4 -","- C36 H44 N2 Ni O4 -","- C36 H44 N2 Ni O4 -","1","0.5","","Hara, Satomi; Houjou, Hirohiko; Yoshikawa, Isao; Araki, Koji","Relation between Crystal Packing and Optical Anisotropy for Schiff Base-Nickel Complexes that Form Various Ladder-like Hydrogen-Bonding Networks","Crystal Growth & Design","2011","11","11","5113","","10.1021/cg201013v","","","1.54184","CuKα","","0.0849","0.0821","","","0.1995","0.2015","","","","","","1.112","","","","has coordinates,has disorder","179543","2020-10-21","18:00:00",""
"4501295","14.479","0.001","7.486","0.001","18.681","0.001","90","","117.004","0.002","90","","1804.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 N2 Ni O4 -","- C40 H52 N2 Ni O4 -","- C80 H104 N4 Ni2 O8 -","2","0.5","","Hara, Satomi; Houjou, Hirohiko; Yoshikawa, Isao; Araki, Koji","Relation between Crystal Packing and Optical Anisotropy for Schiff Base-Nickel Complexes that Form Various Ladder-like Hydrogen-Bonding Networks","Crystal Growth & Design","2011","11","11","5113","","10.1021/cg201013v","","","1.54184","CuKα","","0.109","0.0888","","","0.2071","0.2237","","","","","","1.091","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501296","9.377","0.001","9.594","0.001","11.204","0.001","103.73","0.001","93.568","0.002","108.922","0.002","915.54","0.16","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H56 N2 Ni O4 -","- C42 H56 N2 Ni O4 -","- C42 H56 N2 Ni O4 -","1","0.5","","Hara, Satomi; Houjou, Hirohiko; Yoshikawa, Isao; Araki, Koji","Relation between Crystal Packing and Optical Anisotropy for Schiff Base-Nickel Complexes that Form Various Ladder-like Hydrogen-Bonding Networks","Crystal Growth & Design","2011","11","11","5113","","10.1021/cg201013v","","","1.54184","CuKα","","0.0561","0.0543","","","0.151","0.1526","","","","","","1.059","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501297","30.098","0.002","7.534","0.001","18.595","0.001","90","","94.259","0.003","90","","4204.9","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H64 N2 Ni O4 -","- C46 H64 N2 Ni O4 -","- C184 H256 N8 Ni4 O16 -","4","1","","Hara, Satomi; Houjou, Hirohiko; Yoshikawa, Isao; Araki, Koji","Relation between Crystal Packing and Optical Anisotropy for Schiff Base-Nickel Complexes that Form Various Ladder-like Hydrogen-Bonding Networks","Crystal Growth & Design","2011","11","11","5113","","10.1021/cg201013v","","","1.54184","CuKα","","0.3764","0.3146","","","0.699","0.7293","","","","","","2.699","","","","has coordinates","179543","2020-10-21","18:00:00",""
"4501298","9.437","0.001","11.538","0.001","11.999","0.001","105.351","0.001","104.803","0.002","93.052","0.002","1207.79","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H78 N2 Ni O5 -","- C53 H78 N2 Ni O5 -","- C53 H78 N2 Ni O5 -","1","0.5","","Hara, Satomi; Houjou, Hirohiko; Yoshikawa, Isao; Araki, Koji","Relation between Crystal Packing and Optical Anisotropy for Schiff Base-Nickel Complexes that Form Various Ladder-like Hydrogen-Bonding Networks","Crystal Growth & Design","2011","11","11","5113","","10.1021/cg201013v","","","1.54184","CuKα","","0.0658","0.0622","","","0.1508","0.153","","","","","","1.124","","","","has coordinates,has disorder","179543","2020-10-21","18:00:00",""
"4501299","42.384","0.001","42.384","","5.095","0.001","90","","90","","120","","7926.4","1.6","298","2","298","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C40 H52 N2 Ni O2.5 -","- C38 H48 N2 Ni O2 -","- C342 H432 N18 Ni9 O18 -","9","0.5","","Hara, Satomi; Houjou, Hirohiko; Yoshikawa, Isao; Araki, Koji","Relation between Crystal Packing and Optical Anisotropy for Schiff Base-Nickel Complexes that Form Various Ladder-like Hydrogen-Bonding Networks","Crystal Growth & Design","2011","11","11","5113","","10.1021/cg201013v","","","1.54184","CuKα","","0.0665","0.0564","","","0.1449","0.152","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501300","12.637","0.002","13.23","0.005","8.256","0.006","90","","102.01","0.005","90","","1350.1","1.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O2 -","- C15 H18 N2 O2 -","- C60 H72 N8 O8 -","4","1","","Lama, Prem; Bharadwaj, Parimal K.","Three New Isostructural Coordination Polymers with Cd(II) Clusters as the SBU: Synthesis, Structural Characterization, and Luminescence Properties","Crystal Growth & Design","2011","11","12","5434","","10.1021/cg201028e","","","0.71073","MoKα","","0.0892","0.0596","","","0.1422","0.1708","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501301","16.499","0.005","16.499","0.005","16.499","0.005","90","","90","","90","","4491","2","298","2","298","2","","","","","","","","6","P 41 3 2","P 4bd 2ab 3","213","","","","- C13 H13.67 Cd1.33 Cl0.67 N5 O2.67 -","- C13 H13.66 Cd1.33333 Cl0.666667 N5 O2.66667 -","- C156 H163.92 Cd16 Cl8 N60 O32 -","12","0.5","","Lama, Prem; Bharadwaj, Parimal K.","Three New Isostructural Coordination Polymers with Cd(II) Clusters as the SBU: Synthesis, Structural Characterization, and Luminescence Properties","Crystal Growth & Design","2011","11","12","5434","","10.1021/cg201028e","","","0.71073","MoKα","","0.1561","0.075","","","0.1723","0.2222","","","","","","1.003","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501302","16.635","0.003","16.635","0.003","16.635","0.003","90","","90","","90","","4603.3","1.4","298","2","298","2","","","","","","","","6","P 41 3 2","P 4bd 2ab 3","213","","","","- C13 H13.67 Br0.67 Cd1.33 N5 O2.67 -","- C14 H13.66 Br0.666667 Cd1.33333 N5 O2.66667 -","- C168 H163.92 Br8 Cd16 N60 O32 -","12","0.5","","Lama, Prem; Bharadwaj, Parimal K.","Three New Isostructural Coordination Polymers with Cd(II) Clusters as the SBU: Synthesis, Structural Characterization, and Luminescence Properties","Crystal Growth & Design","2011","11","12","5434","","10.1021/cg201028e","","","0.71073","MoKα","","0.1488","0.0849","","","0.2088","0.2538","","","","","","1.01","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501303","16.614","0.005","16.614","0.005","16.614","0.005","90","","90","","90","","4586","2","298","2","298","2","","","","","","","","6","P 41 3 2","P 4bd 2ab 3","213","","","","- C13 H13.67 Cd1.33 I0.67 N5 O2.67 -","- C13 H13.26 Cd1.33333 I0.666667 N5 O2.66667 -","- C156 H159.12 Cd16 I8 N60 O32 -","12","0.5","","Lama, Prem; Bharadwaj, Parimal K.","Three New Isostructural Coordination Polymers with Cd(II) Clusters as the SBU: Synthesis, Structural Characterization, and Luminescence Properties","Crystal Growth & Design","2011","11","12","5434","","10.1021/cg201028e","","","0.71073","MoKα","","0.1236","0.0969","","","0.2144","0.2341","","","","","","1.086","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501304","19.641","0.017","19.641","0.017","45.07","0.03","90","","90","","120","","15057","2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H33.33 Er3 O30.5 -","- C48 H27 Er3 O30.46 -","- C288 H162 Er18 O182.76 -","6","0.333333","","Yang, Jin; Song, Shu-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yu, Zhen-Tao","Syntheses, Structures, Photoluminescence, and Gas Adsorption of Rare Earth‒Organic Frameworks Based on a Flexible Tricarboxylate","Crystal Growth & Design","2011","11","12","5469","","10.1021/cg2010425","","","0.71073","MoKα","","0.0536","0.0409","","","0.1566","0.1634","","","","","","1.094","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501305","19.7921","0.0009","19.7921","0.0009","45.383","0.0017","90","","90","","120","","15396","1.1","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H31 Dy3 O27 -","- C48 H27 Dy3 O26.99 -","- C288 H162 Dy18 O161.94 -","6","0.333333","","Yang, Jin; Song, Shu-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yu, Zhen-Tao","Syntheses, Structures, Photoluminescence, and Gas Adsorption of Rare Earth‒Organic Frameworks Based on a Flexible Tricarboxylate","Crystal Growth & Design","2011","11","12","5469","","10.1021/cg2010425","","","0.71073","MoKα","","0.0823","0.0437","","","0.1445","0.1514","","","","","","0.966","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501306","19.8558","0.0007","19.8558","0.0007","45.5011","0.0014","90","","90","","120","","15535.6","0.9","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C48 H31 O27 Tb3 -","- C48 H27 O26.95 Tb3 -","- C288 H162 O161.7 Tb18 -","6","0.333333","","Yang, Jin; Song, Shu-Yan; Ma, Jian-Fang; Liu, Ying-Ying; Yu, Zhen-Tao","Syntheses, Structures, Photoluminescence, and Gas Adsorption of Rare Earth‒Organic Frameworks Based on a Flexible Tricarboxylate","Crystal Growth & Design","2011","11","12","5469","","10.1021/cg2010425","","","0.71073","MoKα","","0.0722","0.0499","","","0.178","0.1868","","","","","","1.059","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501307","8.1448","0.001","17.478","0.003","11.1576","0.0015","90","","94.266","0.004","90","","1583.9","0.4","123","2","123","2","","","101.3","","","","","4","C 1 2/c 1","-C 2yc","15","5-aminoisophthalic acid hemihydrate","","","- C8 H8 N O4.5 -","- C8 H8 N O4.5 -","- C64 H64 N8 O36 -","8","1","","Fujii, Kotaro; Sakon, Aya; Sekine, Akiko; Uekusa, Hidehiro","Reversible Color Switching of an Organic Crystal Induced by Organic Solvent Vapors","Crystal Growth & Design","2011","11","10","4305","","10.1021/cg2010437","","x-ray","0.71075","MoKα","","0.0452","0.0403","","","0.1078","0.1118","","","","","","1.099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501308","3.6585","0.0003","14.7575","0.0012","14.6863","0.0011","90","","90","","90","","792.92","0.11","123","2","123","2","","","101.3","","","","","4","P b c n","-P 2n 2ab","60","5-aminoisophthalic acid","","","- C8 H7 N O4 -","- C8 H7 N O4 -","- C32 H28 N4 O16 -","4","0.5","","Fujii, Kotaro; Sakon, Aya; Sekine, Akiko; Uekusa, Hidehiro","Reversible Color Switching of an Organic Crystal Induced by Organic Solvent Vapors","Crystal Growth & Design","2011","11","10","4305","","10.1021/cg2010437","","x-ray","0.71075","MoKα","","0.0519","0.039","","","0.1008","0.1107","","","","","","1.067","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501309","29.31","0.014","7.026","0.003","9.173","0.004","90","","106.564","0.018","90","","1810.6","1.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 N4 O2 -","- C22 H22 N4 O2 -","- C88 H88 N16 O8 -","4","0.5","","Kalita, Dipjyoti; Baruah, Jubaraj B.","Acid Inclusion Properties of Helical Self-Assembly of a 5,5′-Biquinoline Derivative","Crystal Growth & Design","2011","11","11","5131","","10.1021/cg201052k","","","0.71073","MoKα","","0.0763","0.0445","","","0.1113","0.1246","","","","","","0.902","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501310","51.844","0.011","8.1994","0.0019","24.616","0.006","90","","90","","90","","10464","4","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C22 H24 Cl2 N4 O10 -","- C22 H24 Cl2 N4 O10 -","- C352 H384 Cl32 N64 O160 -","16","0.5","","Kalita, Dipjyoti; Baruah, Jubaraj B.","Acid Inclusion Properties of Helical Self-Assembly of a 5,5′-Biquinoline Derivative","Crystal Growth & Design","2011","11","11","5131","","10.1021/cg201052k","","","0.71073","MoKα","","0.2256","0.1216","","","0.26","0.2872","","","","","","1.972","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501311","14.64","0.005","20.521","0.005","8.322","0.002","90","","90","","90","","2500.2","1.2","296","2","296","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C22 H24 N6 O10 -","- C22 H24 N6 O10 -","- C88 H96 N24 O40 -","4","0.5","","Kalita, Dipjyoti; Baruah, Jubaraj B.","Acid Inclusion Properties of Helical Self-Assembly of a 5,5′-Biquinoline Derivative","Crystal Growth & Design","2011","11","11","5131","","10.1021/cg201052k","","","0.71073","MoKα","","0.2274","0.1038","","","0.2092","0.245","","","","","","1.274","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501312","34.3111","0.001","40.5399","0.0011","20.3265","0.0007","90","","90","","90","","28273.5","1.5","293","2","293","2","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C138 H92 Cd12 N115 -","- C138 H92 Cd12 N115 -","- C552 H368 Cd48 N460 -","4","0.5","","Pachfule, Pradip; Banerjee, Rahul","Porous Nitrogen Rich Cadmium-Tetrazolate Based Metal Organic Framework (MOF) for H2and CO2Uptake","Crystal Growth & Design","2011","11","12","5176","","10.1021/cg201054f","","","0.71073","MoKα","","0.0687","0.0531","","","0.1478","0.1583","","","","","","1.035","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501313","9.3287","0.0003","17.3921","0.0006","12.0743","0.0003","90","","104.795","0.0009","90","","1894.05","0.1","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H24 N4 O8 Zn -","- C13 H24 N4 O8 Zn -","- C52 H96 N16 O32 Zn4 -","4","1","","Hao, Hong-Jun; Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Discrete Octamer Water Cluster and 1D T5(2) Water Tape Trapped in Two Luminescent Zn(II)/1,2-Bis(imidazol-1′-yl)ethane/Dicarboxylate Hosts: From 2D (4,4) Net to 3D 5-Fold Interpenetrated Diamond Network","Crystal Growth & Design","2011","11","12","5475","","10.1021/cg201067q","","","0.71073","MoKα","","0.0881","0.0764","","","0.223","0.2355","","","","","","0.943","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501314","6.5568","0.0011","15.078","0.003","20.543","0.003","90","","90","","90","","2031","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H28 N4 O7 Zn -","- C16 H28 N4 O7 Zn -","- C64 H112 N16 O28 Zn4 -","4","1","","Hao, Hong-Jun; Sun, Di; Liu, Fu-Jing; Huang, Rong-Bin; Zheng, Lan-Sun","Discrete Octamer Water Cluster and 1D T5(2) Water Tape Trapped in Two Luminescent Zn(II)/1,2-Bis(imidazol-1′-yl)ethane/Dicarboxylate Hosts: From 2D (4,4) Net to 3D 5-Fold Interpenetrated Diamond Network","Crystal Growth & Design","2011","11","12","5475","","10.1021/cg201067q","","","0.71073","MoKα","","0.0331","0.0322","","","0.082","0.0826","","","","","","1.049","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501315","5.5635","0.0012","5.5635","0.0012","13.835","0.004","90","","90","","120","","370.86","0.16","296.1","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","","","- Bi Fe O3 -","- Bi Fe O3 -","- Bi6 Fe6 O18 -","6","0.333333","","Ito, Toshimitsu; Ushiyama, Tomoharu; Yanagisawa, Yuji; Kumai, Reiji; Tomioka, Yasuhide","Growth of Highly Insulating Bulk Single Crystals of Multiferroic BiFeO3and Their Inherent Internal Strains in the Domain-Switching Process","Crystal Growth & Design","2011","11","11","5139","","10.1021/cg201068m","","","0.93868","synchrotron","","","0.0286","","","","0.0852","","","","","","1.249","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501316","11.3439","0.0004","8.9239","0.0003","21.8087","0.0008","90","","102.874","0.002","90","","2152.24","0.13","296.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 O4 -","- C30 H16 O4 -","- C120 H64 O16 -","4","1","","Hisaki, Ichiro; Kometani, Eriko; Shigemitsu, Hajime; Saeki, Akinori; Seki, Shu; Tohnai, Norimitsu; Miyata, Mikiji","Polymorphism of Dehydrobenzo[14]annulene Possessing Two Methyl Ester Groups in Noncentrosymmetric Positions","Crystal Growth & Design","2011","11","12","5488","5497","10.1021/cg201075z","","","0.7","synchrotron","","","0.0718","","","","0.2028","","","","","","1.133","","","","has coordinates","211133","2020-10-21","18:00:00",""
"4501317","11.5094","0.0002","8.92224","0.00016","21.9131","0.0004","90","","102.471","0.0009","90","","2197.15","0.07","213","","213","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 O4 -","- C30 H16 O4 -","- C120 H64 O16 -","4","1","","Hisaki, Ichiro; Kometani, Eriko; Shigemitsu, Hajime; Saeki, Akinori; Seki, Shu; Tohnai, Norimitsu; Miyata, Mikiji","Polymorphism of Dehydrobenzo[14]annulene Possessing Two Methyl Ester Groups in Noncentrosymmetric Positions","Crystal Growth & Design","2011","11","12","5488","5497","10.1021/cg201075z","","","1.54187","CuKα","","","0.0521","","","","0.1484","","","","","","1.087","","","","has coordinates","211133","2020-10-21","18:00:00",""
"4501318","10.13","0.0001","13.8586","0.0002","16.1692","0.0003","90","","107.154","0.0006","90","","2168.98","0.06","296.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 O4 -","- C30 H16 O4 -","- C120 H64 O16 -","4","1","","Hisaki, Ichiro; Kometani, Eriko; Shigemitsu, Hajime; Saeki, Akinori; Seki, Shu; Tohnai, Norimitsu; Miyata, Mikiji","Polymorphism of Dehydrobenzo[14]annulene Possessing Two Methyl Ester Groups in Noncentrosymmetric Positions","Crystal Growth & Design","2011","11","12","5488","5497","10.1021/cg201075z","","","0.7","synchrotron","","","0.0621","","","","0.1776","","","","","","1.104","","","","has coordinates","211133","2020-10-21","18:00:00",""
"4501319","9.88125","0.00018","10.12115","0.00018","22.1855","0.0004","95.305","0.0009","93.75","0.0009","91.771","0.001","2203","0.07","213.1","","213","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H16 O4 -","- C30 H16 O4 -","- C120 H64 O16 -","4","2","","Hisaki, Ichiro; Kometani, Eriko; Shigemitsu, Hajime; Saeki, Akinori; Seki, Shu; Tohnai, Norimitsu; Miyata, Mikiji","Polymorphism of Dehydrobenzo[14]annulene Possessing Two Methyl Ester Groups in Noncentrosymmetric Positions","Crystal Growth & Design","2011","11","12","5488","5497","10.1021/cg201075z","","","1.54187","CuKα","","","0.0654","","","","0.1578","","","","","","0.848","","","","has coordinates","211133","2020-10-21","18:00:00",""
"4501320","25.991","0.004","3.871","0.0003","21.352","0.004","90","","100.522","0.007","90","","2112.1","0.5","93.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H16 O4 -","- C30 H16 O4 -","- C120 H64 O16 -","4","1","","Hisaki, Ichiro; Kometani, Eriko; Shigemitsu, Hajime; Saeki, Akinori; Seki, Shu; Tohnai, Norimitsu; Miyata, Mikiji","Polymorphism of Dehydrobenzo[14]annulene Possessing Two Methyl Ester Groups in Noncentrosymmetric Positions","Crystal Growth & Design","2011","11","12","5488","5497","10.1021/cg201075z","","","0.7","synchrotron","","","0.1683","","","","0.454","","","","","","2.028","","","","has coordinates","211133","2020-10-21","18:00:00",""
"4501321","46.139","0.0008","3.8558","0.0001","28.7157","0.0007","90","","123.614","0.0009","90","","4254.38","0.17","296.1","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C30 H16 O4 -","- C30 H16 O4 -","- C240 H128 O32 -","8","1","","Hisaki, Ichiro; Kometani, Eriko; Shigemitsu, Hajime; Saeki, Akinori; Seki, Shu; Tohnai, Norimitsu; Miyata, Mikiji","Polymorphism of Dehydrobenzo[14]annulene Possessing Two Methyl Ester Groups in Noncentrosymmetric Positions","Crystal Growth & Design","2011","11","12","5488","5497","10.1021/cg201075z","","","0.7","synchrotron","","","0.0697","","","","0.2038","","","","","","1.034","","","","has coordinates","211133","2020-10-21","18:00:00",""
"4501322","8.0151","0.0003","8.2236","0.0003","10.1892","0.0004","97.859","0.002","111.1","0.003","90.847","0.003","619.2","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 N3 O5 -","- C13 H11 N3 O5 -","- C26 H22 N6 O10 -","2","1","","Das, Babulal; Baruah, Jubaraj B.","Supramolecular Synthons and Hydrates in Stabilization of Multicomponent Crystals of Nicotinamide and Isonicotinamide with N-Containing Aromatic Dicarboxylic Acids","Crystal Growth & Design","2011","11","12","5522","","10.1021/cg201096c","","","0.71073","MoKα","","0.0556","0.0388","","","0.1009","0.1113","","","","","","1.144","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501323","13.5546","0.0007","5.0299","0.0002","20.115","0.0009","90","","101.635","0.003","90","","1343.23","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N3 O6 -","- C13 H13 N3 O6 -","- C52 H52 N12 O24 -","4","1","","Das, Babulal; Baruah, Jubaraj B.","Supramolecular Synthons and Hydrates in Stabilization of Multicomponent Crystals of Nicotinamide and Isonicotinamide with N-Containing Aromatic Dicarboxylic Acids","Crystal Growth & Design","2011","11","12","5522","","10.1021/cg201096c","","","0.71073","MoKα","","0.0766","0.0458","","","0.1261","0.1494","","","","","","0.924","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501324","13.8752","0.0005","7.1838","0.0003","17.8301","0.0008","90","","99.906","0.003","90","","1750.75","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N6 O6 -","- C17 H16 N6 O6 -","- C68 H64 N24 O24 -","4","1","","Das, Babulal; Baruah, Jubaraj B.","Supramolecular Synthons and Hydrates in Stabilization of Multicomponent Crystals of Nicotinamide and Isonicotinamide with N-Containing Aromatic Dicarboxylic Acids","Crystal Growth & Design","2011","11","12","5522","","10.1021/cg201096c","","","0.71073","MoKα","","0.06","0.0436","","","0.1264","0.1388","","","","","","1.009","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501325","13.111","0.003","3.7622","0.0008","27.767","0.006","90","","92.905","0.015","90","","1367.9","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N3 O6 -","- C13 H11 N3 O6 -","- C52 H44 N12 O24 -","4","1","","Das, Babulal; Baruah, Jubaraj B.","Supramolecular Synthons and Hydrates in Stabilization of Multicomponent Crystals of Nicotinamide and Isonicotinamide with N-Containing Aromatic Dicarboxylic Acids","Crystal Growth & Design","2011","11","12","5522","","10.1021/cg201096c","","","0.71073","MoKα","","0.146","0.079","","","0.1899","0.2526","","","","","","0.941","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501326","3.6888","0.0005","11.9356","0.0013","14.3954","0.0015","77.356","0.007","87.328","0.007","87.862","0.008","617.52","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H12 N4 O6 -","- C11 H10 N4 O6 -","- C22 H20 N8 O12 -","2","1","","Das, Babulal; Baruah, Jubaraj B.","Supramolecular Synthons and Hydrates in Stabilization of Multicomponent Crystals of Nicotinamide and Isonicotinamide with N-Containing Aromatic Dicarboxylic Acids","Crystal Growth & Design","2011","11","12","5522","","10.1021/cg201096c","","","0.71073","MoKα","","0.077","0.0661","","","0.1728","0.1852","","","","","","1.021","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501327","3.7184","0.0003","13.3383","0.0009","25.3647","0.0018","90","","93.4","0.005","90","","1255.8","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N3 O6 -","- C13 H11 N3 O6 -","- C52 H44 N12 O24 -","4","1","","Das, Babulal; Baruah, Jubaraj B.","Supramolecular Synthons and Hydrates in Stabilization of Multicomponent Crystals of Nicotinamide and Isonicotinamide with N-Containing Aromatic Dicarboxylic Acids","Crystal Growth & Design","2011","11","12","5522","","10.1021/cg201096c","","","0.71073","MoKα","","0.0956","0.063","","","0.2191","0.235","","","","","","1.081","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501328","11.2517","0.0004","13.7154","0.0004","16.8141","0.0006","90","","106.623","0.004","90","","2486.34","0.15","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N4 O7 Zn2 -","- C24 H20 N4 O7 Zn2 -","- C96 H80 N16 O28 Zn8 -","4","1","","Yang, Yan; Du, Peng; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Bo; Yang, Jin","A Series of Metal‒Organic Frameworks Based on Different Salicylic Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","12","5540","","10.1021/cg201118x","","","0.71073","MoKα","","0.0612","0.0308","","","0.0521","0.0544","","","","","","0.776","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501329","19.6978","0.0009","14.2703","0.0004","18.4545","0.0007","90","","105.249","0.004","90","","5004.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Cd N4 O6 -","- C24 H18 Cd N4 O6 -","- C192 H144 Cd8 N32 O48 -","8","1","","Yang, Yan; Du, Peng; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Bo; Yang, Jin","A Series of Metal‒Organic Frameworks Based on Different Salicylic Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","12","5540","","10.1021/cg201118x","","","0.71073","MoKα","","0.0669","0.0325","","","0.0688","0.074","","","","","","0.803","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501330","8.6045","0.0003","29.8829","0.001","11.1362","0.0004","90","","112.399","0.004","90","","2647.38","0.18","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Cd N4 O6 -","- C26 H28 Cd N4 O6 -","- C104 H112 Cd4 N16 O24 -","4","1","","Yang, Yan; Du, Peng; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Bo; Yang, Jin","A Series of Metal‒Organic Frameworks Based on Different Salicylic Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","12","5540","","10.1021/cg201118x","","","0.71073","MoKα","","0.0524","0.0396","","","0.078","0.0834","","","","","","1.058","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501331","21.3725","0.0006","6.6892","0.0002","18.316","0.0005","90","","99.885","0.003","90","","2579.67","0.13","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Cd N4 O6 -","- C26 H16 Cd N4 O6 -","- C104 H64 Cd4 N16 O24 -","4","0.5","","Yang, Yan; Du, Peng; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Bo; Yang, Jin","A Series of Metal‒Organic Frameworks Based on Different Salicylic Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","12","5540","","10.1021/cg201118x","","","0.71073","MoKα","","0.0384","0.0325","","","0.0844","0.0858","","","","","","0.983","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501332","11.4557","0.0005","13.6034","0.0004","17.3626","0.0007","90","","101.6","0.004","90","","2650.46","0.18","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Cl2 N4 O7 Zn2 -","- C24 H22 Cl2 N4 O7 Zn2 -","- C96 H88 Cl8 N16 O28 Zn8 -","4","1","","Yang, Yan; Du, Peng; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Bo; Yang, Jin","A Series of Metal‒Organic Frameworks Based on Different Salicylic Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","12","5540","","10.1021/cg201118x","","","0.71073","MoKα","","0.0854","0.0343","","","0.0481","0.052","","","","","","0.696","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501333","21.8584","0.0011","6.6597","0.0003","18.0788","0.0009","90","","103.031","0.005","90","","2564","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Cd Cl2 N4 O6 -","- C24 H22 Cd Cl2 N4 O6 -","- C96 H88 Cd4 Cl8 N16 O24 -","4","0.5","","Yang, Yan; Du, Peng; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Bo; Yang, Jin","A Series of Metal‒Organic Frameworks Based on Different Salicylic Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","12","5540","","10.1021/cg201118x","","","0.71073","MoKα","","0.0289","0.0246","","","0.0651","0.0662","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501334","22.8165","0.0007","13.3509","0.0003","17.3654","0.0005","90","","102.878","0.003","90","","5156.8","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Cl2 N4 O7 Zn2 -","- C24 H18 Cl2 N4 O7 Zn2 -","- C192 H144 Cl16 N32 O56 Zn16 -","8","1","","Yang, Yan; Du, Peng; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Bo; Yang, Jin","A Series of Metal‒Organic Frameworks Based on Different Salicylic Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","12","5540","","10.1021/cg201118x","","","0.71073","MoKα","","0.0506","0.03","","","0.0605","0.0627","","","","","","0.87","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501335","8.8008","0.0004","13.2055","0.0007","14.7201","0.0008","75.022","0.005","84.608","0.004","81.718","0.004","1632.51","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H31 Cd Cl2 N6 O7 -","- C29 H25 Cd Cl2 N6 O7 -","- C58 H50 Cd2 Cl4 N12 O14 -","2","1","","Yang, Yan; Du, Peng; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Bo; Yang, Jin","A Series of Metal‒Organic Frameworks Based on Different Salicylic Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","12","5540","","10.1021/cg201118x","","","0.71073","MoKα","","0.038","0.0308","","","0.0791","0.0806","","","","","","0.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501336","23.4341","0.0009","13.3311","0.0005","17.2856","0.0008","90","","103.112","0.004","90","","5259.3","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H22 Br2 N4 O7 Zn2 -","- C24 H18 Br2 N4 O7 Zn2 -","- C192 H144 Br16 N32 O56 Zn16 -","8","1","","Yang, Yan; Du, Peng; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Bo; Yang, Jin","A Series of Metal‒Organic Frameworks Based on Different Salicylic Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","12","5540","","10.1021/cg201118x","","","0.71073","MoKα","","0.0713","0.0321","","","0.0546","0.0576","","","","","","0.738","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501337","11.423","0.0005","11.6505","0.0004","12.0593","0.0006","88.882","0.004","65.94","0.004","67.746","0.004","1338.92","0.12","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 Br2 Cd N4 O6 -","- C24 H22 Br2 Cd N4 O6 -","- C48 H44 Br4 Cd2 N8 O12 -","2","1","","Yang, Yan; Du, Peng; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Bo; Yang, Jin","A Series of Metal‒Organic Frameworks Based on Different Salicylic Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","12","5540","","10.1021/cg201118x","","","0.71073","MoKα","","0.0464","0.0348","","","0.0858","0.0881","","","","","","0.989","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501338","12.5216","0.0005","16.6325","0.0005","18.2844","0.0007","90","","106.623","0.004","90","","3648.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 N10 O11 Zn2 -","- C34 H34 N10 O11 Zn2 -","- C136 H136 N40 O44 Zn8 -","4","1","","Yang, Yan; Du, Peng; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Bo; Yang, Jin","A Series of Metal‒Organic Frameworks Based on Different Salicylic Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","12","5540","","10.1021/cg201118x","","","0.71073","MoKα","","0.0423","0.0267","","","0.0563","0.0578","","","","","","0.879","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501339","24.4367","0.0009","15.4726","0.0005","23.1895","0.0009","90","","118.59","0.005","90","","7698.8","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 Cd2 N10 O12 -","- C34 H36 Cd2 N10 O12 -","- C272 H288 Cd16 N80 O96 -","8","1","","Yang, Yan; Du, Peng; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Bo; Yang, Jin","A Series of Metal‒Organic Frameworks Based on Different Salicylic Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","12","5540","","10.1021/cg201118x","","","0.71073","MoKα","","0.0422","0.0248","","","0.0523","0.0541","","","","","","0.869","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501340","14.9735","0.0006","9.3372","0.0003","14.3187","0.0006","90","","90","","90","","2001.91","0.13","293","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C17 H19 N4 O6.5 S Zn -","- C17 H18 N4 O6.5 S Zn -","- C68 H72 N16 O26 S4 Zn4 -","4","1","","Yang, Yan; Du, Peng; Ma, Jian-Fang; Kan, Wei-Qiu; Liu, Bo; Yang, Jin","A Series of Metal‒Organic Frameworks Based on Different Salicylic Derivatives and 1,1′-(1,4-Butanediyl)bis(imidazole) Ligand: Syntheses, Structures, and Luminescent Properties","Crystal Growth & Design","2011","11","12","5540","","10.1021/cg201118x","","","0.71073","MoKα","","0.0356","0.0301","","","0.0751","0.0796","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501341","22.1486","0.0011","22.1486","0.0011","23.6629","0.0013","90","","90","","120","","10052.9","0.9","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","[Ni(aepa)2]3Sb6S12","","","- C30 H90 N18 Ni3 S12 Sb6 -","- C30 H90 N18 Ni3 S12 Sb6 -","- C180 H540 N108 Ni18 S72 Sb36 -","6","0.333333","","Seidlhofer, Beatrix; Djamil, John; Näther, Christian; Bensch, Wolfgang","From Zero- to Three-Dimensional Thioantimonates: [Ni(aepa)2]3Sb6S12(aepa = C5H15N3=N-(aminoethyl)-1,3-propandiamine), Containing the Unique [Sb6S12]6‒Cyclic Anion, [Ni(aepa)2]6(Sb3S6)2(SO4)3·2H2O, with Isolated [Sb3S6]3‒anions and [Ni(aepa)2]Sb4S7, Characterized by a Three-Dimensional Network Structure","Crystal Growth & Design","2011","11","12","5554","","10.1021/cg201122e","","","0.71073","MoKα","","0.0481","0.038","","","0.0974","0.1028","","","","","","1.067","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501342","13.3436","0.0008","14.1266","0.0009","18.3991","0.0012","73.635","0.007","85.432","0.007","63.2","0.007","2965.7","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","[Ni(aepa)2]6(Sb3S6)2(SO4)3*2H2O","","","- C60 H180 N36 Ni6 O14 S15 Sb6 -","- C60 H180 N36 Ni6 O14 S15 Sb6 -","- C60 H180 N36 Ni6 O14 S15 Sb6 -","1","0.5","","Seidlhofer, Beatrix; Djamil, John; Näther, Christian; Bensch, Wolfgang","From Zero- to Three-Dimensional Thioantimonates: [Ni(aepa)2]3Sb6S12(aepa = C5H15N3=N-(aminoethyl)-1,3-propandiamine), Containing the Unique [Sb6S12]6‒Cyclic Anion, [Ni(aepa)2]6(Sb3S6)2(SO4)3·2H2O, with Isolated [Sb3S6]3‒anions and [Ni(aepa)2]Sb4S7, Characterized by a Three-Dimensional Network Structure","Crystal Growth & Design","2011","11","12","5554","","10.1021/cg201122e","","","0.71073","MoKα","","0.0766","0.0406","","","0.0753","0.085","","","","","","0.935","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501343","14.3884","0.001","12.1193","0.0006","16.1524","0.0011","90","","94.175","0.008","90","","2809.1","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Ni(aepa)2]Sb4S7","","","- C10 H30 N6 Ni S7 Sb4 -","- C10 H30 N6 Ni S7 Sb4 -","- C40 H120 N24 Ni4 S28 Sb16 -","4","0.5","","Seidlhofer, Beatrix; Djamil, John; Näther, Christian; Bensch, Wolfgang","From Zero- to Three-Dimensional Thioantimonates: [Ni(aepa)2]3Sb6S12(aepa = C5H15N3=N-(aminoethyl)-1,3-propandiamine), Containing the Unique [Sb6S12]6‒Cyclic Anion, [Ni(aepa)2]6(Sb3S6)2(SO4)3·2H2O, with Isolated [Sb3S6]3‒anions and [Ni(aepa)2]Sb4S7, Characterized by a Three-Dimensional Network Structure","Crystal Growth & Design","2011","11","12","5554","","10.1021/cg201122e","","","0.71073","MoKα","","0.025","0.0221","","","0.0545","0.0557","","","","","","1.067","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501344","10.1924","0.0003","11.706","0.0003","16.9698","0.0004","80.3176","0.0008","82.9188","0.0008","64.7791","0.0007","1802.57","0.08","294","1","294","1","","","","","","","","6","P -1","-P 1","2","","","","- C56 H32 Cu3 I8 N24 W2 -","- C56 H32 Cu3 I8 N24 W2 -","- C56 H32 Cu3 I8 N24 W2 -","1","0.5","","Tsunobuchi, Yoshihide; Kaneko, Souhei; Nakabayashi, Koji; Ohkoshi, Shin-ichi","High Thermal Durability of Water-Free Copper-Octacyanotungsten-Based Magnets Containing Halogen Bonds","Crystal Growth & Design","2011","11","12","5561","","10.1021/cg2011265","","","0.71075","MoKα","","","0.0401","","","","0.1134","","","","","","1.101","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501345","10.1695","0.0003","11.7943","0.0003","16.2736","0.0004","81.66","0.0007","82.604","0.0008","64.616","0.0007","1739.95","0.08","296","1","296","1","","","","","","","","6","P -1","-P 1","2","","","","- C56 H32 Br8 Cu3 N24 W2 -","- C56 H32 Br8 Cu3 N24 W2 -","- C56 H32 Br8 Cu3 N24 W2 -","1","0.5","","Tsunobuchi, Yoshihide; Kaneko, Souhei; Nakabayashi, Koji; Ohkoshi, Shin-ichi","High Thermal Durability of Water-Free Copper-Octacyanotungsten-Based Magnets Containing Halogen Bonds","Crystal Growth & Design","2011","11","12","5561","","10.1021/cg2011265","","","0.71075","MoKα","","","0.0419","","","","0.1047","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501346","10.017","0.0002","20.5075","0.0004","15.8952","0.0004","90","","95.677","0.001","90","","3249.23","0.12","295","","295","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H22 Cl6 Cu3 N22 O6 W2 -","- C46 H22 Cl6 Cu3 N22 O6 W2 -","- C92 H44 Cl12 Cu6 N44 O12 W4 -","2","0.5","","Tsunobuchi, Yoshihide; Kaneko, Souhei; Nakabayashi, Koji; Ohkoshi, Shin-ichi","High Thermal Durability of Water-Free Copper-Octacyanotungsten-Based Magnets Containing Halogen Bonds","Crystal Growth & Design","2011","11","12","5561","","10.1021/cg2011265","","","0.71075","MoKα","","","0.0312","","","","0.0744","","","","","","1.114","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501347","30.0742","0.0007","44.9301","0.0009","18.4571","0.0005","90","","107.961","0.001","90","","23724.5","1","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C57 H44 Cu3 N6 O15 -","- C57 H44 Cu3 N6 O15 -","- C456 H352 Cu24 N48 O120 -","8","1","","Roberts, John M.; Farha, Omar K.; Sarjeant, Amy A.; Hupp, Joseph T.; Scheidt, Karl A.","Two Azolium Rings Are Better Than One: A Strategy for Controlling Catenation and Morphology in Zn and Cu Metal‒Organic Frameworks","Crystal Growth & Design","2011","11","11","4747","","10.1021/cg2011309","","","1.54178","CuKα","","0.108","0.0802","","","0.2253","0.2471","","","","","","0.939","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501348","42.6542","0.0008","42.6542","0.0008","12.8454","0.0003","90","","90","","120","","20239.6","0.7","100","2","100","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C24 H20 Cu N4 O5 -","- C23.5 H20 Cu N4 O5 -","- C423 H360 Cu18 N72 O90 -","18","0.5","","Roberts, John M.; Farha, Omar K.; Sarjeant, Amy A.; Hupp, Joseph T.; Scheidt, Karl A.","Two Azolium Rings Are Better Than One: A Strategy for Controlling Catenation and Morphology in Zn and Cu Metal‒Organic Frameworks","Crystal Growth & Design","2011","11","11","4747","","10.1021/cg2011309","","","0.71073","MoKα","","0.0986","0.0821","","","0.2594","0.2727","","","","","","1.101","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501349","24.3627","0.0007","23.9175","0.0007","17.0679","0.0005","90","","91.52","0.001","90","","9941.9","0.5","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C54 H36 N6 O13 Zn4 -","- C54 H36 N6 O13 Zn4 -","- C216 H144 N24 O52 Zn16 -","4","0.5","","Roberts, John M.; Farha, Omar K.; Sarjeant, Amy A.; Hupp, Joseph T.; Scheidt, Karl A.","Two Azolium Rings Are Better Than One: A Strategy for Controlling Catenation and Morphology in Zn and Cu Metal‒Organic Frameworks","Crystal Growth & Design","2011","11","11","4747","","10.1021/cg2011309","","","1.54178","CuKα","","0.1416","0.1166","","","0.273","0.2965","","","","","","1.023","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501350","7.967","0.003","10.714","0.004","25.047","0.007","90.457","0.012","47.347","0.015","104.474","0.013","1482.9","1","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H22 Br N4 Ni O4 S2 -","- C32 H22 Br N4 Ni O4 S2 -","- C64 H44 Br2 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.1329","0.0577","","","0.1056","0.1269","","","","","","0.937","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501351","7.9949","0.0005","10.5604","0.0006","25.1285","0.001","90.129","0.002","46.516","0.002","104.497","0.002","1446.03","0.15","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H23 N4 Ni O4 S2 -","- C32 H23 N4 Ni O4 S2 -","- C64 H46 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.1427","0.0598","","","0.1222","0.1631","","","","","","0.951","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501352","7.914","0.004","10.998","0.007","25.259","0.01","94.67","0.03","47.86","0.02","109.29","0.03","1507.5","1.5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H23 N4 Ni O4 S2 -","- C33 H23 N4 Ni O4 S2 -","- C66 H46 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.245","0.0847","","","0.1624","0.2143","","","","","","0.887","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501353","8.0561","0.0014","10.532","0.003","25.053","0.004","89.246","0.008","46.529","0.009","104.237","0.009","1444.1","0.6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.5 H22.5 N4.5 Ni O4.5 S2 -","- C32.5 H22.5 N4.5 Ni O4.5 S2 -","- C65 H45 N9 Ni2 O9 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.1353","0.0579","","","0.0985","0.1153","","","","","","0.918","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4501354","8.08","0.003","10.559","0.004","25.127","0.008","90.539","0.014","46.499","0.017","104.295","0.016","1467","1","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H23 N4 Ni O4 S2 -","- C33 H23 N4 Ni O4 S2 -","- C66 H46 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.1406","0.0562","","","0.0768","0.0919","","","","","","0.89","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501355","7.89","0.006","10.494","0.008","24.94","0.02","88.86","0.05","46.97","0.05","104.38","0.04","1409","2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H23 N4 Ni O4 S2 -","- C33 H23 N4 Ni O4 S2 -","- C66 H46 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.1049","0.0612","","","0.1403","0.1584","","","","","","1.005","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501356","7.902","0.008","10.616","0.014","25.3","0.019","88.92","0.05","47.67","0.04","103.08","0.06","1484","3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H24 N4 Ni O4 S2 -","- C33 H24 N4 Ni O4 S2 -","- C66 H48 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.115","0.051","","","0.0855","0.1003","","","","","","0.928","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501357","7.9599","0.0009","10.6979","0.0011","25.101","0.003","91.691","0.006","46.861","0.006","105.439","0.005","1467.6","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 N4 Ni O4 S2 -","- C26 H18 N4 Ni O4 S2 -","- C52 H36 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.074","0.0469","","","0.1216","0.1288","","","","","","1.028","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501358","8.045","0.005","10.703","0.008","25.238","0.013","92.1","0.03","46.83","0.03","105.62","0.04","1492.3","1.9","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H22 N4 Ni O5 S2 -","- C33 H22 N4 Ni O5 S2 -","- C66 H44 N8 Ni2 O10 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.161","0.0673","","","0.1306","0.1631","","","","","","0.951","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501359","7.9188","0.0015","10.94","0.003","25.131","0.004","95.1","0.01","47.478","0.008","109.418","0.01","1484.2","0.6","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H24 N4 Ni O4 S2 -","- C33 H24 N4 Ni O4 S2 -","- C66 H48 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.0721","0.0411","","","0.0843","0.0922","","","","","","1.016","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501360","8.0084","0.0012","10.8831","0.0017","25.266","0.003","94.429","0.007","47.263","0.007","108.899","0.006","1497.6","0.4","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H23 N5 Ni O4 S2 -","- C32 H23 N5 Ni O4 S2 -","- C64 H46 N10 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.0696","0.0392","","","0.0815","0.0886","","","","","","1.022","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501361","8.0119","0.0012","10.6195","0.0019","25.101","0.004","90.643","0.008","46.418","0.009","104.657","0.009","1455.5","0.5","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H18 N4 Ni O4 S2 -","- C26 H18 N4 Ni O4 S2 -","- C52 H36 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.0989","0.0558","","","0.1469","0.1609","","","","","","1.021","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501362","8.017","0.0006","10.9346","0.0011","25.16","0.002","95.529","0.006","47.384","0.005","108.006","0.005","1523.4","0.3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H24 N4 Ni O4 S2 -","- C35 H24 N4 Ni O4 S2 -","- C70 H48 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.2152","0.0705","","","0.0915","0.117","","","","","","0.893","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501363","8.016","0.003","10.895","0.004","25.054","0.006","95.348","0.016","47.118","0.014","109.109","0.008","1488.2","0.9","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H24 N4 Ni O4 S2 -","- C35 H24 N4 Ni O4 S2 -","- C70 H48 N8 Ni2 O8 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.1022","0.0495","","","0.0905","0.1023","","","","","","0.932","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501364","23.888","0.003","15.07","0.009","31.114","0.004","120.34","0.03","35.968","0.007","136.79","0.04","4403","5","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C102 H66 N12 Ni3 O12 S6 -","- C102 H66 N12 Ni3 O12 S6 -","- C204 H132 N24 Ni6 O24 S12 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.1291","0.0742","","","0.2107","0.2597","","","","","","1.115","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501365","11.0822","0.0004","20.8637","0.0009","22.935","0.001","90","","90","","90","","5302.9","0.4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H21 N7 Ni O6 S2 -","- C24 H21 N7 Ni O6 S2 -","- C192 H168 N56 Ni8 O48 S16 -","8","1","","Sekiya, Ryo; Nishikiori, Shin-ichi","Structural Extension from an Isonicotinic Acid Dimer to 4-(4-Pyridyl)benzoic Acid (pybenH) Dimer: X-ray Crystal Structure Analysis and Inclusion Properties of a Hydrogen-Bonded Coordination Polymer [Ni(SCN)2(pybenH)2]\ιnfty","Crystal Growth & Design","2011","11","12","5574","","10.1021/cg201141k","","x-ray","0.71073","MoKα","","0.1223","0.0853","","","0.2323","0.2525","","","","","","1.019","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501366","13.0842","0.0011","13.0842","0.0011","19.878","0.002","90","","90","","120","","2947.1","0.5","298","2","298","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C40 H40 Br2 Cu N8 O6 -","- C40 Br2 Cu N8 O6 -","- C120 Br6 Cu3 N24 O18 -","3","0.5","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Coordination Polymers in Selective Separation of Cations and Anions: A Series of Rarely Observed All Helical Three-Dimensional Coordination Polymers Derived from Various Chiral Amino Acid Based Bis-pyridyl-bis-amide Ligands","Crystal Growth & Design","2011","11","12","5592","","10.1021/cg201161q","","","0.71073","MoKα","","0.086","0.0777","","","0.2137","0.2216","","","","","","1.736","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501367","13.6744","0.0008","13.6744","0.0008","15.0225","0.0012","90","","90","","120","","2432.7","0.3","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C28 H38 Br2 Cu N8 O9 -","- C28 H18 Br2 Cu N8 O9 -","- C84 H54 Br6 Cu3 N24 O27 -","3","0.5","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Coordination Polymers in Selective Separation of Cations and Anions: A Series of Rarely Observed All Helical Three-Dimensional Coordination Polymers Derived from Various Chiral Amino Acid Based Bis-pyridyl-bis-amide Ligands","Crystal Growth & Design","2011","11","12","5592","","10.1021/cg201161q","","","0.71073","MoKα","","0.08","0.0614","","","0.1591","0.1727","","","","","","1.115","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501368","13.0785","0.001","13.0785","0.001","20.083","0.003","90","","90","","120","","2974.9","0.5","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C34 H44 Br2 Cu N8 O6 -","- C34 H44 Br2 Cu N8 O6 -","- C102 H132 Br6 Cu3 N24 O18 -","3","0.5","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Coordination Polymers in Selective Separation of Cations and Anions: A Series of Rarely Observed All Helical Three-Dimensional Coordination Polymers Derived from Various Chiral Amino Acid Based Bis-pyridyl-bis-amide Ligands","Crystal Growth & Design","2011","11","12","5592","","10.1021/cg201161q","","","0.71073","MoKα","","0.0263","0.0229","","","0.0579","0.06","","","","","","1.064","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501369","12.9292","0.0006","12.9292","0.0006","20.1039","0.0011","90","","90","","120","","2910.4","0.2","298","2","298","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C34 H44 Cl2 Cu N8 O6 -","- C34 H44 Cl2 Cu N8 O6 -","- C102 H132 Cl6 Cu3 N24 O18 -","3","0.5","","Banerjee, Subhabrata; Dastidar, Parthasarathi","Coordination Polymers in Selective Separation of Cations and Anions: A Series of Rarely Observed All Helical Three-Dimensional Coordination Polymers Derived from Various Chiral Amino Acid Based Bis-pyridyl-bis-amide Ligands","Crystal Growth & Design","2011","11","12","5592","","10.1021/cg201161q","","","0.71073","MoKα","","0.0299","0.0262","","","0.0618","0.064","","","","","","1.041","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501370","8.9583","0.0007","21.06","0.002","8.9583","0.0007","90","","130.337","0.012","90","","1288.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","barbituric acid CaCl2 (H2O)5","","- C4 H14 Ca Cl2 N2 O8 -","- C4 H8 Ca Cl2 N2 O8 -","- C16 H32 Ca4 Cl8 N8 O32 -","4","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.; Maini, Lucia; Turrina, Alessandro","Ionic Co-crystals of Organic Molecules with Metal Halides: A New Prospect in the Solid Formulation of Active Pharmaceutical Ingredients","Crystal Growth & Design","2011","11","12","5621","","10.1021/cg201177p","","","0.71073","MoKα","","0.0412","0.0318","","","","0.0715","","","","","","1.05","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501371","7.8917","0.0005","7.2632","0.0005","12.9379","0.0008","90","","102.815","0.007","90","","723.12","0.08","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","diaceamide CaCl2 (H2O)5","","- C4 H17 Ca Cl2 N O7 -","- C4 H7 Ca Cl2 N O7 -","- C8 H14 Ca2 Cl4 N2 O14 -","2","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.; Maini, Lucia; Turrina, Alessandro","Ionic Co-crystals of Organic Molecules with Metal Halides: A New Prospect in the Solid Formulation of Active Pharmaceutical Ingredients","Crystal Growth & Design","2011","11","12","5621","","10.1021/cg201177p","","","0.71073","MoKα","","0.0668","0.0551","","","","0.1497","","","","","","1.059","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501372","5.9055","0.0004","8.0258","0.0005","11.5035","0.0006","71.208","0.005","80.134","0.005","85.297","0.005","508.32","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","malonamide CaCl2 (H2O)2","","- C3 H10 Ca Cl2 N2 O4 -","- C3 H10 Ca Cl2 N2 O4 -","- C6 H20 Ca2 Cl4 N4 O8 -","2","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.; Maini, Lucia; Turrina, Alessandro","Ionic Co-crystals of Organic Molecules with Metal Halides: A New Prospect in the Solid Formulation of Active Pharmaceutical Ingredients","Crystal Growth & Design","2011","11","12","5621","","10.1021/cg201177p","","","0.71073","MoKα","","0.029","0.0251","","","","0.0682","","","","","","0.845","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501373","9.68836","0.00019","9.27808","0.00012","6.19667","0.00011","103.035","0.0016","98.5641","0.0014","107.858","0.0017","502.027","0.017","","","","","","","","","","","","5","P -1","-P 1","2","","nicotinamide CaCl2 H2O","","- C6 Ca Cl2 N2 O2 -","- C6 Ca Cl2 N2 O2 -","- C12 Ca2 Cl4 N4 O4 -","2","1","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.; Maini, Lucia; Turrina, Alessandro","Ionic Co-crystals of Organic Molecules with Metal Halides: A New Prospect in the Solid Formulation of Active Pharmaceutical Ingredients","Crystal Growth & Design","2011","11","12","5621","","10.1021/cg201177p","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501374","21.7401","0.0012","6.8716","0.0003","12.8167","0.0007","90","","117.775","0.007","90","","1694.08","0.19","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","nicotinamide2 CaCl2 (H2O)2","","- C12 H16 Ca Cl2 N4 O4 -","- C12 H16 Ca Cl2 N4 O4 -","- C48 H64 Ca4 Cl8 N16 O16 -","4","0.5","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.; Maini, Lucia; Turrina, Alessandro","Ionic Co-crystals of Organic Molecules with Metal Halides: A New Prospect in the Solid Formulation of Active Pharmaceutical Ingredients","Crystal Growth & Design","2011","11","12","5621","","10.1021/cg201177p","","","0.71073","MoKα","","0.0504","0.0384","","","","0.088","","","","","","1.092","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4501375","8.89548","0.00008","9.60922","0.00013","11.9274","0.00012","90","","108.059","0.0006","90","","969.314","0.019","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","piracetam2 CaCl2 (H2O)2","","- C12 Ca Cl2 N4 O6 -","- C12 Ca Cl2 N4 O6 -","- C24 Ca2 Cl4 N8 O12 -","2","0.5","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.; Maini, Lucia; Turrina, Alessandro","Ionic Co-crystals of Organic Molecules with Metal Halides: A New Prospect in the Solid Formulation of Active Pharmaceutical Ingredients","Crystal Growth & Design","2011","11","12","5621","","10.1021/cg201177p","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501376","8.9444","0.0005","9.8519","0.0004","11.8823","0.0007","90","","106.52","0.007","90","","1003.84","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","piracetam2 SrCl2 (H2O)2","","- C12 H24 Cl2 N4 O6 Sr -","- C12 H24 Cl2 N4 O6 Sr -","- C24 H48 Cl4 N8 O12 Sr2 -","2","0.5","","Braga, Dario; Grepioni, Fabrizia; Lampronti, Giulio I.; Maini, Lucia; Turrina, Alessandro","Ionic Co-crystals of Organic Molecules with Metal Halides: A New Prospect in the Solid Formulation of Active Pharmaceutical Ingredients","Crystal Growth & Design","2011","11","12","5621","","10.1021/cg201177p","","","0.71073","MoKα","","0.0687","0.0377","","","0.0691","0.075","","","","","","0.933","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501377","24.665","0.002","10.7741","0.0009","16.0097","0.0014","90","","93.126","0.001","90","","4248.1","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 N3 O9 Zn -","- C12 H12 N3 O9 Zn -","- C96 H96 N24 O72 Zn8 -","8","1","","Cui, Peipei; Wu, Junling; Zhao, Xiaoliang; Sun, Di; Zhang, Liangliang; Guo, Jie; Sun, Daofeng","Two Solvent-Dependent Zinc(II) Supramolecular Isomers: Rarekgdand Lonsdaleite Network Topologies Based on a Tripodal Flexible Ligand","Crystal Growth & Design","2011","11","12","5182","","10.1021/cg201181s","","","0.71073","MoKα","","0.0372","0.0314","","","0.0854","0.0878","","","","","","1.077","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501378","24.0866","0.0019","4.8855","0.0004","22.2025","0.0017","90","","90","","90","","2612.7","0.4","173","2","173","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H34 N6 O11 Zn -","- C20 H34 N6 O11 Zn -","- C80 H136 N24 O44 Zn4 -","4","1","","Cui, Peipei; Wu, Junling; Zhao, Xiaoliang; Sun, Di; Zhang, Liangliang; Guo, Jie; Sun, Daofeng","Two Solvent-Dependent Zinc(II) Supramolecular Isomers: Rarekgdand Lonsdaleite Network Topologies Based on a Tripodal Flexible Ligand","Crystal Growth & Design","2011","11","12","5182","","10.1021/cg201181s","","","0.71073","MoKα","","0.045","0.0354","","","0.0882","0.0941","","","","","","1.029","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501379","20.589","0.0015","20.5391","0.0015","10.4699","0.0008","90","","118.478","0.001","90","","3891.8","0.5","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32 H46 N2 O13 U2 -","- C32 H46 N2 O13 U2 -","- C128 H184 N8 O52 U8 -","4","1","","Kerr, Andrew T.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation III. Mixed Aliphatic Dicarboxylate/Aromatic Dipyridyl Coordination Polymers: Synthesis, Structures, and Speciation","Crystal Growth & Design","2011","11","12","5634","","10.1021/cg2011869","","x-ray","0.71073","MoKα","","0.045","0.0361","","","0.0826","0.0871","","","","","","1.03","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501380","12.534","0.002","16.139","0.003","25.294","0.004","90","","90","","90","","5116.6","1.5","298","2","298","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C27 H58 N2 O39 U6 -","- C27 H28 N2 O39 U6 -","- C108 H112 N8 O156 U24 -","4","0.5","","Kerr, Andrew T.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation III. Mixed Aliphatic Dicarboxylate/Aromatic Dipyridyl Coordination Polymers: Synthesis, Structures, and Speciation","Crystal Growth & Design","2011","11","12","5634","","10.1021/cg2011869","","x-ray","0.71073","MoKα","","0.082","0.0522","","","0.1091","0.1216","","","","","","1.025","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501381","8.9327","0.0005","19.2047","0.0011","11.892","0.0007","90","","94.479","0.001","90","","2033.8","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 N O8 U -","- C18 H24 N O8 U -","- C72 H96 N4 O32 U4 -","4","1","","Kerr, Andrew T.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation III. Mixed Aliphatic Dicarboxylate/Aromatic Dipyridyl Coordination Polymers: Synthesis, Structures, and Speciation","Crystal Growth & Design","2011","11","12","5634","","10.1021/cg2011869","","x-ray","0.71073","MoKα","","0.0288","0.022","","","0.0418","0.0438","","","","","","1.029","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501382","9.6535","0.0009","9.7736","0.0009","17.4401","0.0016","87.842","0.002","75.944","0.001","70.217","0.001","1500.2","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H60 N4 O26 U5 -","- C48 H60 N4 O26 U5 -","- C48 H60 N4 O26 U5 -","1","0.5","","Kerr, Andrew T.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation III. Mixed Aliphatic Dicarboxylate/Aromatic Dipyridyl Coordination Polymers: Synthesis, Structures, and Speciation","Crystal Growth & Design","2011","11","12","5634","","10.1021/cg2011869","","x-ray","0.71073","MoKα","","0.0248","0.0191","","","0.0408","0.0423","","","","","","1.031","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501383","8.1535","0.0003","9.4052","0.0003","12.3338","0.0004","108.6","","96.054","0.001","100.771","0.001","866.68","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N O6 U -","- C15 H19 N O6 U -","- C30 H38 N2 O12 U2 -","2","1","","Kerr, Andrew T.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation III. Mixed Aliphatic Dicarboxylate/Aromatic Dipyridyl Coordination Polymers: Synthesis, Structures, and Speciation","Crystal Growth & Design","2011","11","12","5634","","10.1021/cg2011869","","x-ray","0.71073","MoKα","","0.0224","0.0199","","","0.0407","0.0414","","","","","","1.102","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501384","9.4706","0.0004","8.3098","0.0003","17.9773","0.0006","90","","113.185","0.002","90","","1300.53","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N O5 U -","- C11 H13 N O5 U -","- C44 H52 N4 O20 U4 -","4","1","","Kerr, Andrew T.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation III. Mixed Aliphatic Dicarboxylate/Aromatic Dipyridyl Coordination Polymers: Synthesis, Structures, and Speciation","Crystal Growth & Design","2011","11","12","5634","","10.1021/cg2011869","","x-ray","0.71073","MoKα","","0.0224","0.0174","","","0.041","0.0428","","","","","","1.052","","","","has coordinates,has disorder","179544","2020-10-21","18:00:00",""
"4501385","25.4837","0.0008","15.9313","0.0005","25.4808","0.0011","90","","118.76","","90","","9068.8","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H58 N2 O18 U2 -","- C39 H53 N2 O18 U2 -","- C312 H424 N16 O144 U16 -","8","1","","Kerr, Andrew T.; Cahill, Christopher L.","Crystal Engineering with the Uranyl Cation III. Mixed Aliphatic Dicarboxylate/Aromatic Dipyridyl Coordination Polymers: Synthesis, Structures, and Speciation","Crystal Growth & Design","2011","11","12","5634","","10.1021/cg2011869","","x-ray","0.71073","MoKα","","0.0411","0.0263","","","0.0515","0.0556","","","","","","1.013","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501386","8.409","0.004","9.724","0.004","9.984","0.004","75.782","0.011","72.52","0.013","65.759","0.012","703","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H8 N2 O -","- C7 H8 N2 O -","- C28 H32 N8 O4 -","4","2","","Mukherjee, Gargi; Biradha, Kumar","Crystal Engineering Studies with Monocarboxamidoalkanes Having C- or N-Terminal Pyridine and Their Coordination Complexes","Crystal Growth & Design","2011","11","12","5649","","10.1021/cg2012028","","","0.71073","MoKα","","0.1459","0.0656","","","0.1529","0.1841","","","","","","0.75","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501387","11.936","0.002","9.768","0.002","14.267","0.003","90","","105.84","0.03","90","","1600.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 N2 O2 -","- C7 H10 N2 O2 -","- C56 H80 N16 O16 -","8","2","","Mukherjee, Gargi; Biradha, Kumar","Crystal Engineering Studies with Monocarboxamidoalkanes Having C- or N-Terminal Pyridine and Their Coordination Complexes","Crystal Growth & Design","2011","11","12","5649","","10.1021/cg2012028","","","0.71073","MoKα","","0.1311","0.0673","","","0.1672","0.1983","","","","","","0.973","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501388","7.252","0.003","26.885","0.01","8.724","0.003","90","","94.642","0.012","90","","1695.3","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 N2 O1.5 -","- C8 H10 N2 O1.5 -","- C64 H80 N16 O12 -","8","2","","Mukherjee, Gargi; Biradha, Kumar","Crystal Engineering Studies with Monocarboxamidoalkanes Having C- or N-Terminal Pyridine and Their Coordination Complexes","Crystal Growth & Design","2011","11","12","5649","","10.1021/cg2012028","","","0.71073","MoKα","","0.1332","0.0639","","","0.1532","0.1768","","","","","","1.099","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501389","15.07","0.009","7.742","0.004","12.065","0.007","90","","91.804","0.018","90","","1406.9","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 N2 O -","- C7 H8 N2 O -","- C56 H64 N16 O8 -","8","1","","Mukherjee, Gargi; Biradha, Kumar","Crystal Engineering Studies with Monocarboxamidoalkanes Having C- or N-Terminal Pyridine and Their Coordination Complexes","Crystal Growth & Design","2011","11","12","5649","","10.1021/cg2012028","","","0.71073","MoKα","","0.0831","0.0527","","","0.123","0.1414","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4501390","13.6085","0.0015","8.1708","0.0009","15.5985","0.0017","90","","110.465","0.004","90","","1625","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N2 O -","- C8 H10 N2 O -","- C64 H80 N16 O8 -","8","2","","Mukherjee, Gargi; Biradha, Kumar","Crystal Engineering Studies with Monocarboxamidoalkanes Having C- or N-Terminal Pyridine and Their Coordination Complexes","Crystal Growth & Design","2011","11","12","5649","","10.1021/cg2012028","","","0.71073","MoKα","","0.1567","0.0646","","","0.1505","0.1978","","","","","","1.004","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501391","8.256","0.003","10.458","0.003","11.089","0.004","94.863","0.008","104.619","0.008","111.931","0.008","842.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 Ag N5 O5 -","- C14 H16 Ag N5 O5 -","- C28 H32 Ag2 N10 O10 -","2","1","","Mukherjee, Gargi; Biradha, Kumar","Crystal Engineering Studies with Monocarboxamidoalkanes Having C- or N-Terminal Pyridine and Their Coordination Complexes","Crystal Growth & Design","2011","11","12","5649","","10.1021/cg2012028","","","0.71073","MoKα","","0.0698","0.059","","","0.1577","0.1671","","","","","","1.099","","","","has coordinates","264242","2021-04-16","08:52:18",""
"4501392","9.1256","0.0011","12.2367","0.0015","17.072","0.002","90","","94.572","0.003","90","","1900.3","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Cu N6 O8 -","- C14 H16 Cu N6 O8 -","- C56 H64 Cu4 N24 O32 -","4","0.5","","Mukherjee, Gargi; Biradha, Kumar","Crystal Engineering Studies with Monocarboxamidoalkanes Having C- or N-Terminal Pyridine and Their Coordination Complexes","Crystal Growth & Design","2011","11","12","5649","","10.1021/cg2012028","","","0.71073","MoKα","","0.0438","0.0344","","","0.1141","0.1205","","","","","","0.951","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501393","7.6683","0.0007","8.5377","0.0008","8.605","0.0008","73.392","0.003","71.199","0.003","83.191","0.003","510.84","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 Cu N4 O6 -","- C18 H22 Cu N4 O6 -","- C18 H22 Cu N4 O6 -","1","0.5","","Mukherjee, Gargi; Biradha, Kumar","Crystal Engineering Studies with Monocarboxamidoalkanes Having C- or N-Terminal Pyridine and Their Coordination Complexes","Crystal Growth & Design","2011","11","12","5649","","10.1021/cg2012028","","","0.71073","MoKα","","0.0453","0.0366","","","0.1113","0.1183","","","","","","0.899","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501394","8.403","0.003","8.825","0.004","8.895","0.004","89.555","0.011","67.609","0.009","78.394","0.011","595.7","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Cl2 Cu N4 O6 -","- C20 H24 Cl2 Cu N4 O6 -","- C20 H24 Cl2 Cu N4 O6 -","1","0.5","","Mukherjee, Gargi; Biradha, Kumar","Crystal Engineering Studies with Monocarboxamidoalkanes Having C- or N-Terminal Pyridine and Their Coordination Complexes","Crystal Growth & Design","2011","11","12","5649","","10.1021/cg2012028","","","0.71073","MoKα","","0.0482","0.0422","","","0.1455","0.1518","","","","","","1.291","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501395","13.1142","0.0014","20.024","0.002","8.4874","0.0009","90","","97.524","0.003","90","","2209.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cd N4 O7 -","- C18 H24 Cd N4 O7 -","- C72 H96 Cd4 N16 O28 -","4","1","","Mukherjee, Gargi; Biradha, Kumar","Crystal Engineering Studies with Monocarboxamidoalkanes Having C- or N-Terminal Pyridine and Their Coordination Complexes","Crystal Growth & Design","2011","11","12","5649","","10.1021/cg2012028","","","0.71073","MoKα","","0.0425","0.0364","","","0.1181","0.1229","","","","","","1.021","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501396","10.2415","0.0008","11.5816","0.0009","16.2866","0.0012","90","","90.872","0.002","90","","1931.6","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Cd I2 N4 O2 -","- C14 H16 Cd I2 N4 O2 -","- C56 H64 Cd4 I8 N16 O8 -","4","0.5","","Mukherjee, Gargi; Biradha, Kumar","Crystal Engineering Studies with Monocarboxamidoalkanes Having C- or N-Terminal Pyridine and Their Coordination Complexes","Crystal Growth & Design","2011","11","12","5649","","10.1021/cg2012028","","","0.71073","MoKα","","0.0263","0.0229","","","0.0621","0.0637","","","","","","1.067","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501397","25.8301","0.0013","15.4939","0.0004","5.9465","0.0002","90","","90","","90","","2379.84","0.16","","","298","","","","","","","","","3","P b c a","-P 2ac 2ab","61","naproxen","","","- C14 H14 O3 -","- C14 H14 O3 -","- C112 H112 O24 -","8","1","","Braun, Doris E.; Ardid-Candel, Miguel; D’Oria, Emiliana; Karamertzanis, Panagiotis G.; Arlin, Jean-Baptiste; Florence, Alastair J.; Jones, Alan G.; Price, Sarah L.","Racemic Naproxen: A Multidisciplinary Structural and Thermodynamic Comparison with the Enantiopure Form","Crystal Growth & Design","2011","11","12","5659","","10.1021/cg201203u","powder diffraction","","","","","","","","","","","","","2.344","","","","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501398","19.869","0.003","19.869","0.003","27.47","0.007","90","","90","","120","","9392","3","273","2","273","2","","","","","","","","5","P 63/m","-P 6c","176","","","","- C81 H99 N0 O62 Pr6 -","- C81 H99 O62 Pr6 -","- C162 H198 O124 Pr12 -","2","0.166667","","Dai, Fangna; Sun, Di; Sun, Daofeng","Three 3D Lanthanide‒Organic Frameworks Based on Novel Flexible Multicarboxylates: From ssa to rtl Topologies","Crystal Growth & Design","2011","11","12","5670","","10.1021/cg201210p","","","0.71073","MoKα","","0.1238","0.0738","","","0.2135","0.2368","","","","","","0.957","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501399","9.0068","0.0004","22.9837","0.0009","14.8035","0.0006","90","","92.787","0.001","90","","3060.8","0.2","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Er N O7 S2 -","- C30 H32 Er N O7 S2 -","- C120 H128 Er4 N4 O28 S8 -","4","1","","Dai, Fangna; Sun, Di; Sun, Daofeng","Three 3D Lanthanide‒Organic Frameworks Based on Novel Flexible Multicarboxylates: From ssa to rtl Topologies","Crystal Growth & Design","2011","11","12","5670","","10.1021/cg201210p","","","0.71073","MoKα","","0.0315","0.0259","","","0.0624","0.0657","","","","","","1.001","","","","has coordinates","179544","2020-10-21","18:00:00",""
"4501400","9.0246","0.0018","23.061","0.004","16.967","0.003","90","","119.318","0.008","90","","3078.8","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 N O7 S2 Tm -","- C30 H32 N O7 S2 Tm -","- C120 H128 N4 O28 S8 Tm4 -","4","1","","Dai, Fangna; Sun, Di; Sun, Daofeng","Three 3D Lanthanide‒Organic Frameworks Based on Novel Flexible Multicarboxylates: From ssa to rtl Topologies","Crystal Growth & Design","2011","11","12","5670","","10.1021/cg201210p","","","0.71073","MoKα","","0.0509","0.0349","","","0.0783","0.0848","","","","","","1.05","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501401","36.4209","0.0018","36.4209","0.0018","16.7366","0.0016","90","","90","","90","","22201","3","291","2","291","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C84 H86 Mo2 N28 O9 Sm2 -","- C84 H86 Mo2 N28 O9 Sm2 -","- C672 H688 Mo16 N224 O72 Sm16 -","8","0.25","","Qian, Su-Yan; Zhou, Hu; Yuan, Ai-Hua; Song, You","Syntheses, Structures, and Magnetic Properties of Five Novel Octacyanometallate-Based Lanthanide Complexes with Helical Chains","Crystal Growth & Design","2011","11","12","5676","","10.1021/cg201217a","","","0.71073","MoKα","","0.0461","0.034","","","0.0996","0.1053","","","","","","1.05","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501402","37.021","0.002","37.021","0.002","15.8242","0.0018","90","","90","","90","","21688","3","291","2","291","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C84 H86 Eu2 Mo2 N28 O9 -","- C84 H86 Eu2 Mo2 N28 O9 -","- C672 H688 Eu16 Mo16 N224 O72 -","8","0.25","","Qian, Su-Yan; Zhou, Hu; Yuan, Ai-Hua; Song, You","Syntheses, Structures, and Magnetic Properties of Five Novel Octacyanometallate-Based Lanthanide Complexes with Helical Chains","Crystal Growth & Design","2011","11","12","5676","","10.1021/cg201217a","","","0.71073","MoKα","","0.0532","0.04","","","0.1149","0.1207","","","","","","1.035","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501403","15.289","0.0015","20.5","0.0016","21.715","0.0012","90","","123.397","0.003","90","","5682.2","0.8","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H50 N14 O4 Sm W -","- C46 H50 N14 O4 Sm W -","- C184 H200 N56 O16 Sm4 W4 -","4","1","","Qian, Su-Yan; Zhou, Hu; Yuan, Ai-Hua; Song, You","Syntheses, Structures, and Magnetic Properties of Five Novel Octacyanometallate-Based Lanthanide Complexes with Helical Chains","Crystal Growth & Design","2011","11","12","5676","","10.1021/cg201217a","","","0.71073","MoKα","","0.0783","0.0532","","","0.1148","0.1211","","","","","","1.036","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501404","16.9844","0.0012","18.95","0.002","23.4842","0.0016","90","","125.795","0.003","90","","6130.8","0.9","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H62 Mo N16 O8 Pr -","- C42 H62 Mo N16 O8 Pr -","- C168 H248 Mo4 N64 O32 Pr4 -","4","1","","Qian, Su-Yan; Zhou, Hu; Yuan, Ai-Hua; Song, You","Syntheses, Structures, and Magnetic Properties of Five Novel Octacyanometallate-Based Lanthanide Complexes with Helical Chains","Crystal Growth & Design","2011","11","12","5676","","10.1021/cg201217a","","","0.71073","MoKα","","0.0636","0.0503","","","0.1234","0.1272","","","","","","1.065","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501405","17.0136","0.0013","19.237","0.003","23.1634","0.0015","90","","126.1","0.003","90","","6125.5","1.2","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H62 N16 O8 Pr W -","- C42 H62 N16 O8 Pr W -","- C168 H248 N64 O32 Pr4 W4 -","4","1","","Qian, Su-Yan; Zhou, Hu; Yuan, Ai-Hua; Song, You","Syntheses, Structures, and Magnetic Properties of Five Novel Octacyanometallate-Based Lanthanide Complexes with Helical Chains","Crystal Growth & Design","2011","11","12","5676","","10.1021/cg201217a","","","0.71073","MoKα","","0.0546","0.0423","","","0.0907","0.0937","","","","","","1.047","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501406","5.979","0.0005","18.5907","0.0014","8.1134","0.0006","90","","90.217","0.003","90","","901.83","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Ag N2 O4 -","- C6 H10 Ag N2 O4 -","- C24 H40 Ag4 N8 O16 -","4","1","","Zhang, Qi-Long; Zhu, Bi-Xue; Zhang, Yun-Qiuan; Tao, Zhu; Clegg, Jack K.; Lindoy, Leonard F.; Wei, Gang","Silver(I) Coordination Polymers Incorporating Neutral γ-Carbon BoundN,N′-Bis(acetylacetone)alkanediimine Units","Crystal Growth & Design","2011","11","12","5688","","10.1021/cg201222a","","","0.71073","MoKα","","0.0803","0.0749","","","0.183","0.1847","","","","","","1.146","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501407","8.5611","0.0004","9.6326","0.0005","14.2471","0.0007","90","","98.892","0.002","90","","1160.78","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 Ag N2 O4 -","- C8 H14 Ag N2 O4 -","- C32 H56 Ag4 N8 O16 -","4","1","","Zhang, Qi-Long; Zhu, Bi-Xue; Zhang, Yun-Qiuan; Tao, Zhu; Clegg, Jack K.; Lindoy, Leonard F.; Wei, Gang","Silver(I) Coordination Polymers Incorporating Neutral γ-Carbon BoundN,N′-Bis(acetylacetone)alkanediimine Units","Crystal Growth & Design","2011","11","12","5688","","10.1021/cg201222a","","","0.71073","MoKα","","0.052","0.0475","","","0.1306","0.1343","","","","","","1.077","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501408","15.552","0.004","5.1737","0.0013","18.305","0.005","90","","114.02","0.009","90","","1345.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Ag N2 O5 -","- C12 H14 Ag N2 O5 -","- C48 H56 Ag4 N8 O20 -","4","1","","Zhang, Qi-Long; Zhu, Bi-Xue; Zhang, Yun-Qiuan; Tao, Zhu; Clegg, Jack K.; Lindoy, Leonard F.; Wei, Gang","Silver(I) Coordination Polymers Incorporating Neutral γ-Carbon BoundN,N′-Bis(acetylacetone)alkanediimine Units","Crystal Growth & Design","2011","11","12","5688","","10.1021/cg201222a","","","0.71073","MoKα","","0.0331","0.0283","","","0.0722","0.0748","","","","","","1.04","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501409","16.456","0.002","5.2236","0.0007","18.018","0.002","90","","113.186","0.003","90","","1423.7","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 Ag N2 O5 -","- C13 H16 Ag N2 O5 -","- C52 H64 Ag4 N8 O20 -","4","1","","Zhang, Qi-Long; Zhu, Bi-Xue; Zhang, Yun-Qiuan; Tao, Zhu; Clegg, Jack K.; Lindoy, Leonard F.; Wei, Gang","Silver(I) Coordination Polymers Incorporating Neutral γ-Carbon BoundN,N′-Bis(acetylacetone)alkanediimine Units","Crystal Growth & Design","2011","11","12","5688","","10.1021/cg201222a","","","0.71073","MoKα","","0.0397","0.0316","","","0.0886","0.0937","","","","","","1.05","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501410","9.0801","0.0005","8.1551","0.0005","33.2742","0.0018","90","","95.781","0.002","90","","2451.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 Ag N3 O7 -","- C24 H28 Ag N3 O7 -","- C96 H112 Ag4 N12 O28 -","4","1","","Zhang, Qi-Long; Zhu, Bi-Xue; Zhang, Yun-Qiuan; Tao, Zhu; Clegg, Jack K.; Lindoy, Leonard F.; Wei, Gang","Silver(I) Coordination Polymers Incorporating Neutral γ-Carbon BoundN,N′-Bis(acetylacetone)alkanediimine Units","Crystal Growth & Design","2011","11","12","5688","","10.1021/cg201222a","","","0.71073","MoKα","","0.0501","0.0356","","","0.0882","0.094","","","","","","1.065","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501411","23.712","0.005","12.822","0.003","10.888","0.002","90","","112.132","0.002","90","","3066.4","1.1","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H24 Cd Cl2 N6 O2 S2 -","- C29 H24 Cd Cl2 N6 O2 S2 -","- C116 H96 Cd4 Cl8 N24 O8 S8 -","4","0.5","","Xiao, Jing; Chen, Cheng-Xia; Liu, Qi-Kui; Ma, Jian-Ping; Dong, Yu-Bin","Cd(II)-Schiff-Base Metal‒Organic Frameworks: Synthesis, Structure, and Reversible Adsorption and Separation of Volatile Chlorocarbons","Crystal Growth & Design","2011","11","12","5696","","10.1021/cg201226t","","","0.71073","MoKα","","0.0483","0.0425","","","0.1006","0.1039","","","","","","1.061","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501412","8.89282","0.00013","9.74543","0.00016","6.8513","0.0001","107.106","0.001","108.351","0.0009","85.6751","0.0009","538.54","0.015","","","","","","","","","","","","2","P -1","-P 1","2","","","","- C3 O7 -","- C3 O7 -","- C12 O28 -","4","2","","Lim, Gin Keat; Fujii, Kotaro; Harris, Kenneth D. M.; Apperley, David C.","Structure Determination from Powder X-ray Diffraction Data of a New Polymorph of a High-Density Organic Hydrate Material, with an Assessment of Hydrogen-Bond Disorder by Rietveld Refinement","Crystal Growth & Design","2011","11","12","5192","","10.1021/cg201230k","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501413","13.8818","0.0003","16.0838","0.0006","17.2845","0.0005","90","","90.418","0.002","90","","3859","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H80 N24 O44 S2 U2 -","- C50 H72 N24 O44 S2 U2 -","- C100 H144 N48 O88 S4 U4 -","2","0.5","","Thuéry, Pierre","Coordination Polymers and Frameworks in Uranyl Ion Complexes with Sulfonates and Cucurbit[6]uril","Crystal Growth & Design","2011","11","12","5702","","10.1021/cg201253z","","","0.71073","MoKα","","0.0548","0.0379","","","0.0891","0.0937","","","","","","1.044","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501414","12.3287","0.0005","12.7531","0.0006","13.0826","0.0006","117.076","0.002","90.143","0.003","93.097","0.003","1828.01","0.15","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H66 N25 Na O40 S2 U2 -","- C50 H52 N25 Na O40 S2 U2 -","- C50 H52 N25 Na O40 S2 U2 -","1","0.5","","Thuéry, Pierre","Coordination Polymers and Frameworks in Uranyl Ion Complexes with Sulfonates and Cucurbit[6]uril","Crystal Growth & Design","2011","11","12","5702","","10.1021/cg201253z","","","0.71073","MoKα","","0.0482","0.0395","","","0.108","0.1115","","","","","","1.069","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501415","12.3792","0.0005","12.7824","0.0006","12.9655","0.0006","117.302","0.002","90.134","0.003","92.964","0.003","1819.84","0.14","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H67 Cs N24 O38 S2 U2 -","- C50 H60 Cs N24 O38 S2 U2 -","- C50 H60 Cs N24 O38 S2 U2 -","1","0.5","","Thuéry, Pierre","Coordination Polymers and Frameworks in Uranyl Ion Complexes with Sulfonates and Cucurbit[6]uril","Crystal Growth & Design","2011","11","12","5702","","10.1021/cg201253z","","","0.71073","MoKα","","0.0437","0.0384","","","0.1076","0.1107","","","","","","1.093","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501416","18.1419","0.0005","18.9467","0.0005","24.0974","0.0006","90","","94.418","0.002","90","","8258.4","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C57 H72 Cs2 N24 O43 S3 U2 -","- C57 H63 Cs2 N24 O43 S3 U2 -","- C228 H252 Cs8 N96 O172 S12 U8 -","4","1","","Thuéry, Pierre","Coordination Polymers and Frameworks in Uranyl Ion Complexes with Sulfonates and Cucurbit[6]uril","Crystal Growth & Design","2011","11","12","5702","","10.1021/cg201253z","","","0.71073","MoKα","","0.0678","0.0452","","","0.1245","0.1333","","","","","","1.051","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501417","12.3243","0.0005","15.8934","0.0006","39.6333","0.001","90","","90","","90","","7763.2","0.5","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H84 K2 N24 O44 S2 U -","- C50 H62 K2 N24 O44 S2 U -","- C200 H248 K8 N96 O176 S8 U4 -","4","1","","Thuéry, Pierre","Coordination Polymers and Frameworks in Uranyl Ion Complexes with Sulfonates and Cucurbit[6]uril","Crystal Growth & Design","2011","11","12","5702","","10.1021/cg201253z","","","0.71073","MoKα","","0.0503","0.0417","","","0.1069","0.1101","","","","","","0.999","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501418","12.0599","0.0005","12.2791","0.0005","12.938","0.0006","68.73","0.002","78.639","0.003","75.692","0.003","1717.76","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H66 N24 O42 S2 U4 -","- C38 H66 N24 O42 S2 U4 -","- C38 H66 N24 O42 S2 U4 -","1","0.5","","Thuéry, Pierre","Coordination Polymers and Frameworks in Uranyl Ion Complexes with Sulfonates and Cucurbit[6]uril","Crystal Growth & Design","2011","11","12","5702","","10.1021/cg201253z","","","0.71073","MoKα","","0.0395","0.031","","","0.0804","0.0828","","","","","","1.057","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501419","18.076","0.005","30.754","0.008","34.191","0.009","90","","90","","90","","19007","9","223","2","223","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C84 H334 Cl2 K2 N44 O159 -","- C84 H80 Cl2 K2 N44 O32 -","- C336 H320 Cl8 K8 N176 O128 -","4","0.5","","Chen, Kai; Feng, Xing; Liang, Li-Li; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Coordination and Supramolecular Self-Assemblies of Alkali and Alkaline Earth Metal Ions to Cucurbit[5]uril in the Presence of Nitrophenol","Crystal Growth & Design","2011","11","12","5712","","10.1021/cg201272e","","","0.71073","MoKα","","0.1992","0.1063","","","0.283","0.3203","","","","","","0.953","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501420","17.787","0.007","18.343","0.008","49.14","0.02","90","","90","","90","","16033","11","223","2","223","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C54 H86 Cl N24 O40 Rb -","- C54 H48 Cl N24 O26 Rb -","- C432 H384 Cl8 N192 O208 Rb8 -","8","0.5","","Chen, Kai; Feng, Xing; Liang, Li-Li; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Coordination and Supramolecular Self-Assemblies of Alkali and Alkaline Earth Metal Ions to Cucurbit[5]uril in the Presence of Nitrophenol","Crystal Growth & Design","2011","11","12","5712","","10.1021/cg201272e","","","0.71073","MoKα","","0.1929","0.1296","","","0.3751","0.4083","","","","","","1.311","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501421","10.3714","0.0008","18.4416","0.0015","24.7943","0.0019","81.556","0.003","78.978","0.003","81.251","0.003","4566.6","0.6","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C78 H78 Cl2 N28 O38 Rb2 -","- C78 H72 Cl2 N28 O38 Rb2 -","- C156 H144 Cl4 N56 O76 Rb4 -","2","1","","Chen, Kai; Feng, Xing; Liang, Li-Li; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Coordination and Supramolecular Self-Assemblies of Alkali and Alkaline Earth Metal Ions to Cucurbit[5]uril in the Presence of Nitrophenol","Crystal Growth & Design","2011","11","12","5712","","10.1021/cg201272e","","","0.71073","MoKα","","0.0878","0.0548","","","0.1611","0.1768","","","","","","1.093","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501422","10.8896","0.001","28.942","0.003","21.465","0.0019","90","","97.671","0.003","90","","6704.5","1.1","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H63 Cl2 Cs2 N23 O28 -","- C48 H45 Cl2 Cs2 N23 O20 -","- C192 H180 Cl8 Cs8 N92 O80 -","4","1","","Chen, Kai; Feng, Xing; Liang, Li-Li; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Coordination and Supramolecular Self-Assemblies of Alkali and Alkaline Earth Metal Ions to Cucurbit[5]uril in the Presence of Nitrophenol","Crystal Growth & Design","2011","11","12","5712","","10.1021/cg201272e","","","0.71073","MoKα","","0.0722","0.0589","","","0.1789","0.1881","","","","","","1.071","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501423","10.759","0.001","27.934","0.003","21.294","0.002","90","","96.364","0.003","90","","6360.3","1.1","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H67 Ca Cl2 N23 O30 -","- C48 H45 Ca Cl2 N23 O23 -","- C192 H180 Ca4 Cl8 N92 O92 -","4","1","","Chen, Kai; Feng, Xing; Liang, Li-Li; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Coordination and Supramolecular Self-Assemblies of Alkali and Alkaline Earth Metal Ions to Cucurbit[5]uril in the Presence of Nitrophenol","Crystal Growth & Design","2011","11","12","5712","","10.1021/cg201272e","","","0.71073","MoKα","","0.1307","0.1176","","","0.3066","0.3134","","","","","","1.067","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501424","21.546","0.004","11.056","0.002","30.688","0.006","90","","105.313","0.002","90","","7051","2","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H74 Cl2 N24 O34 Sr -","- C54 H50 Cl2 N24 O29 Sr -","- C216 H200 Cl8 N96 O116 Sr4 -","4","1","","Chen, Kai; Feng, Xing; Liang, Li-Li; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Coordination and Supramolecular Self-Assemblies of Alkali and Alkaline Earth Metal Ions to Cucurbit[5]uril in the Presence of Nitrophenol","Crystal Growth & Design","2011","11","12","5712","","10.1021/cg201272e","","","0.71073","MoKα","","0.0929","0.0567","","","0.1481","0.1642","","","","","","1.01","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501425","20.4952","0.0016","19.6231","0.0016","19.3671","0.0016","90","","103.305","0.002","90","","7580","1.1","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H80 Ba Cl2 N24 O37 -","- C54 H70 Ba Cl2 N24 O32 -","- C216 H280 Ba4 Cl8 N96 O128 -","4","1","","Chen, Kai; Feng, Xing; Liang, Li-Li; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Coordination and Supramolecular Self-Assemblies of Alkali and Alkaline Earth Metal Ions to Cucurbit[5]uril in the Presence of Nitrophenol","Crystal Growth & Design","2011","11","12","5712","","10.1021/cg201272e","","","0.71073","MoKα","","0.058","0.051","","","0.1534","0.1603","","","","","","1.084","","","","has coordinates","189193","2020-10-21","18:00:00",""
"4501426","16.725","0.003","11.85","0.002","13.514","0.002","90","","90","","90","","2678.4","0.8","223","2","223","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C42 H50 Br2 K2 N22 O21 -","- C42 H40 Br2 K2 N22 O20 -","- C84 H80 Br4 K4 N44 O40 -","2","0.5","","Chen, Kai; Feng, Xing; Liang, Li-Li; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Coordination and Supramolecular Self-Assemblies of Alkali and Alkaline Earth Metal Ions to Cucurbit[5]uril in the Presence of Nitrophenol","Crystal Growth & Design","2011","11","12","5712","","10.1021/cg201272e","","","0.71073","MoKα","","0.0338","0.029","","","0.0706","0.0728","","","","","","1.023","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501427","16.445","0.004","11.991","0.003","29.729","0.007","90","","96.851","0.003","90","","5820","2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C84 H136 I2 K2 N44 O60 -","- C84 H80 I2 K2 N44 O37 -","- C168 H160 I4 K4 N88 O74 -","2","0.5","","Chen, Kai; Feng, Xing; Liang, Li-Li; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Coordination and Supramolecular Self-Assemblies of Alkali and Alkaline Earth Metal Ions to Cucurbit[5]uril in the Presence of Nitrophenol","Crystal Growth & Design","2011","11","12","5712","","10.1021/cg201272e","","","0.71073","MoKα","","0.1052","0.0736","","","0.2046","0.2184","","","","","","1.089","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501428","12.0327","0.0018","16.188","0.002","28.931","0.004","90","","90","","90","","5635.3","1.3","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C42 H54 K2 N24 O29 -","- C42 H40 K2 N24 O27 -","- C168 H160 K8 N96 O108 -","4","1","","Chen, Kai; Feng, Xing; Liang, Li-Li; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Coordination and Supramolecular Self-Assemblies of Alkali and Alkaline Earth Metal Ions to Cucurbit[5]uril in the Presence of Nitrophenol","Crystal Growth & Design","2011","11","12","5712","","10.1021/cg201272e","","","0.71073","MoKα","","0.0647","0.0525","","","0.1375","0.1458","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4501429","11.7842","0.0016","24.518","0.003","18.522","0.003","90","","90","","90","","5351.5","1.3","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C36 H53 I2 K2 N21 O22 -","- C36 H35 I2 K2 N21 O16 -","- C144 H140 I8 K8 N84 O64 -","4","1","","Chen, Kai; Feng, Xing; Liang, Li-Li; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Coordination and Supramolecular Self-Assemblies of Alkali and Alkaline Earth Metal Ions to Cucurbit[5]uril in the Presence of Nitrophenol","Crystal Growth & Design","2011","11","12","5712","","10.1021/cg201272e","","","0.71073","MoKα","","0.0433","0.0374","","","0.0936","0.0969","","","","","","1.035","","","","has coordinates,has disorder","179545","2020-10-21","18:00:00",""
"4501430","11.898","0.002","15.873","0.003","14.603","0.003","90","","90.604","0.002","90","","2757.7","0.9","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H52 K2 N24 O28 -","- C42 H40 K2 N24 O26 -","- C84 H80 K4 N48 O52 -","2","1","","Chen, Kai; Feng, Xing; Liang, Li-Li; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xue, Sai-Feng; Tao, Zhu","Coordination and Supramolecular Self-Assemblies of Alkali and Alkaline Earth Metal Ions to Cucurbit[5]uril in the Presence of Nitrophenol","Crystal Growth & Design","2011","11","12","5712","","10.1021/cg201272e","","","0.71073","MoKα","","0.0435","0.0414","","","0.1132","0.1152","","","","","","1.033","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501431","5.5126","0.0007","11.0763","0.0014","17.406","0.002","90","","94.931","0.004","90","","1058.9","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N4 O2 -","- C24 H22 N4 O2 -","- C48 H44 N8 O4 -","2","0.5","","Samai, Suman; Biradha, Kumar","Coordination Polymers of Flexible Bis(benzimidazole) Ligand: Halogen Bridging and Metal···Arene Interactions","Crystal Growth & Design","2011","11","12","5723","","10.1021/cg2013254","","","0.71073","MoKα","","0.091","0.0577","","","0.1593","0.1773","","","","","","1.149","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501432","8.7244","0.0017","10.227","0.002","14.472","0.003","89.265","0.006","78.105","0.005","74.384","0.006","1215.6","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cu2 I2 N4 -","- C24 H22 Cu2 I2 N4 -","- C48 H44 Cu4 I4 N8 -","2","1","","Samai, Suman; Biradha, Kumar","Coordination Polymers of Flexible Bis(benzimidazole) Ligand: Halogen Bridging and Metal···Arene Interactions","Crystal Growth & Design","2011","11","12","5723","","10.1021/cg2013254","","","0.71073","MoKα","","0.0413","0.029","","","0.0942","0.1116","","","","","","0.835","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501433","7.1455","0.0006","8.7718","0.0008","10.462","0.0009","67.487","0.002","87.84","0.002","78.498","0.002","593.07","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cu2 I2 N4 -","- C24 H22 Cu2 I2 N4 -","- C24 H22 Cu2 I2 N4 -","1","0.5","","Samai, Suman; Biradha, Kumar","Coordination Polymers of Flexible Bis(benzimidazole) Ligand: Halogen Bridging and Metal···Arene Interactions","Crystal Growth & Design","2011","11","12","5723","","10.1021/cg2013254","","","0.71073","MoKα","","0.0411","0.0345","","","0.1115","0.1173","","","","","","0.912","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501434","9.452","0.002","10.3711","0.0011","10.901","0.0012","112.507","0.006","104.459","0.009","97.657","0.009","924.1","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H36 Cd3 Cl6 N6 O2 -","- C30 H36 Cd3 Cl6 N6 O2 -","- C30 H36 Cd3 Cl6 N6 O2 -","1","0.5","","Samai, Suman; Biradha, Kumar","Coordination Polymers of Flexible Bis(benzimidazole) Ligand: Halogen Bridging and Metal···Arene Interactions","Crystal Growth & Design","2011","11","12","5723","","10.1021/cg2013254","","","0.71073","MoKα","","0.0827","0.0561","","","0.155","0.1786","","","","","","1.302","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501435","5.7847","0.0007","17.012","0.002","11.2798","0.0014","90","","104.402","0.004","90","","1075.2","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Cl2 Cu N4 -","- C24 H22 Cl2 Cu N4 -","- C48 H44 Cl4 Cu2 N8 -","2","0.5","","Samai, Suman; Biradha, Kumar","Coordination Polymers of Flexible Bis(benzimidazole) Ligand: Halogen Bridging and Metal···Arene Interactions","Crystal Growth & Design","2011","11","12","5723","","10.1021/cg2013254","","","0.71073","MoKα","","0.106","0.0584","","","0.1374","0.159","","","","","","0.91","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501436","11.102","0.002","14.458","0.003","23.518","0.004","90","","113.883","0.008","90","","3451.7","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cd N6 O9 -","- C32 H38 Cd N6 O9 -","- C128 H152 Cd4 N24 O36 -","4","1","","Samai, Suman; Biradha, Kumar","Coordination Polymers of Flexible Bis(benzimidazole) Ligand: Halogen Bridging and Metal···Arene Interactions","Crystal Growth & Design","2011","11","12","5723","","10.1021/cg2013254","","","0.71073","MoKα","","0.1186","0.0598","","","0.1565","0.1814","","","","","","1.03","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501437","10.847","0.003","10.99","0.004","11.076","0.004","83.459","0.012","85.689","0.01","84.363","0.011","1302.7","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H26 I2 N4 O Zn -","- C25 H25 I2 N4 O Zn -","- C50 H50 I4 N8 O2 Zn2 -","2","1","","Samai, Suman; Biradha, Kumar","Coordination Polymers of Flexible Bis(benzimidazole) Ligand: Halogen Bridging and Metal···Arene Interactions","Crystal Growth & Design","2011","11","12","5723","","10.1021/cg2013254","","","0.71073","MoKα","","0.2261","0.077","","","0.156","0.1992","","","","","","0.749","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4510887","7.3934","0.0002","27.5812","0.0006","10.5964","0.0003","90","","109.234","0.003","90","","2040.19","0.1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H37 N2 O2.5 -","- C22 H37 N2 O2.5 -","- C88 H148 N8 O10 -","4","2","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.0379","0.0327","","","0.0701","0.0711","","","","","","0.98","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510888","19.454","0.0007","18.7009","0.0008","10.8348","0.0004","90","","90","","90","","3941.8","0.3","298","2","298","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C21 H32 N2 O -","- C21 H32 N2 O -","- C168 H256 N16 O8 -","8","2","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.0718","0.0487","","","0.1033","0.1149","","","","","","1.024","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510889","10.4243","0.001","7.4432","0.0005","27.018","0.002","90","","94.069","0.009","90","","2091","0.3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22.5 H36.5 N2.5 O2 -","- C22.5 H36.5 N2.5 O2 -","- C90 H146 N10 O8 -","4","2","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.0668","0.0493","","","0.1208","0.1327","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510890","7.1392","0.0005","10.9541","0.0008","26.8891","0.0016","90","","90","","90","","2102.8","0.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H38 N2 O2 -","- C23 H38 N2 O2 -","- C92 H152 N8 O8 -","4","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.0993","0.055","","","0.0705","0.0894","","","","","","0.892","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510891","10.3775","0.0008","7.4347","0.0006","15.5801","0.0008","90","","91.895","0.006","90","","1201.4","0.15","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H40 N2 O5 -","- C25 H40 N2 O5 -","- C50 H80 N4 O10 -","2","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.0921","0.0504","","","0.0824","0.09","","","","","","0.875","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510892","24.545","0.001","7.2894","0.0003","15.25","0.0008","90","","122.679","0.007","90","","2296.6","0.3","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H40 N2 O2 -","- C24 H40 N2 O2 -","- C96 H160 N8 O8 -","4","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.0375","0.0318","","","0.0725","0.0739","","","","","","0.98","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510893","7.5672","0.0003","19.6475","0.0009","26.3375","0.0009","90","","90","","90","","3915.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21.5 H32 N2.5 O1.5 -","- C21.5 H32 N2.5 O1.5 -","- C172 H256 N20 O12 -","8","2","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.0852","0.0476","","","0.1086","0.1176","","","","","","0.909","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510894","10.5093","0.0003","7.2906","0.0002","15.5622","0.0005","90","","94.812","0.003","90","","1188.16","0.06","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H44 N2 O4 -","- C24 H44 N2 O4 -","- C48 H88 N4 O8 -","2","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.0397","0.0332","","","0.0733","0.0747","","","","","","0.973","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510895","7.3164","0.0004","21.562","0.002","24.0058","0.0011","90","","90","","90","","3787.1","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N2 O -","- C21 H32 N2 O -","- C168 H256 N16 O8 -","8","2","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.1056","0.038","","","0.0616","0.0703","","","","","","0.756","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510896","7.233","0.002","11.85","0.002","48.672","0.002","90","","90","","90","","4171.7","1.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23.5 H34.5 N2.5 O -","- C23.5 H34.5 N2.5 O -","- C188 H276 N20 O8 -","8","2","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.0962","0.0679","","","0.1132","0.1223","","","","","","1.085","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510897","7.2098","0.0005","10.4654","0.0007","26.0313","0.0013","90","","90","","90","","1964.2","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H34 N2 O2 -","- C21 H34 N2 O2 -","- C84 H136 N8 O8 -","4","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.072","0.0372","","","0.0631","0.0676","","","","","","0.801","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510898","25.321","0.002","7.421","0.002","15.393","0.002","90","","123.4","","90","","2414.8","0.7","298","2","298","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H42 N2 O2 -","- C25 H42 N2 O2 -","- C100 H168 N8 O8 -","4","1","","Karpinska, Jolanta; Erxleben, Andrea; McArdle, Patrick","17β-Hydroxy-17α-methylandrostano[3,2-c]pyrazole, Stanozolol: The Crystal Structures of Polymorphs 1 and 2 and 10 Solvates","Crystal Growth & Design","2011","11","7","2829","","10.1021/cg101651p","","","0.7107","MoKα","","0.0691","0.0503","","","0.129","0.1418","","","","","","1.039","","","","has coordinates","179655","2020-10-21","18:00:00",""
"4510900","6.0397","0.0009","15.037","0.001","18.109","0.002","90","","99.52","0.01","90","","1622","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Br8 N4 O4 Sb2 -","- C20 H16 Br8 N4 O4 Sb2 -","- C40 H32 Br16 N8 O8 Sb4 -","2","0.5","","Leblanc, Nicolas; Allain, Magali; Mercier, Nicolas; Cariati, Elena","ProtonatedN,N′-Dioxide-4,4′-bipyridine, an Interesting Synthon for the Building of Polar H-Bonded Networks?","Crystal Growth & Design","2011","11","12","5200","","10.1021/cg201299n","","x-ray","0.71073","MoKα","","","0.0389","","","","0.0811","","","","","","1.041","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510901","9.522","0.001","15.132","0.0005","15.646","0.002","116.111","0.006","99.342","0.008","91.892","0.006","1983.5","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H50 Bi4 Br18 N10 O12 -","- C50 H40 Bi4 Br18 N10 O12 -","- C50 H40 Bi4 Br18 N10 O12 -","1","0.5","","Leblanc, Nicolas; Allain, Magali; Mercier, Nicolas; Cariati, Elena","ProtonatedN,N′-Dioxide-4,4′-bipyridine, an Interesting Synthon for the Building of Polar H-Bonded Networks?","Crystal Growth & Design","2011","11","12","5200","","10.1021/cg201299n","","x-ray","0.71073","MoKα","","","0.0631","","","","0.1816","","","","","","1.082","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510902","9.552","0.001","15.0481","0.0005","15.256","0.001","115.358","0.006","98.472","0.007","92.445","0.008","1946.2","0.3","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H46 Bi4 Br18 N10 O10 -","- C50 H40 Bi4 Br18 N10 O10 -","- C50 H40 Bi4 Br18 N10 O10 -","1","0.5","","Leblanc, Nicolas; Allain, Magali; Mercier, Nicolas; Cariati, Elena","ProtonatedN,N′-Dioxide-4,4′-bipyridine, an Interesting Synthon for the Building of Polar H-Bonded Networks?","Crystal Growth & Design","2011","11","12","5200","","10.1021/cg201299n","","x-ray","0.71073","MoKα","","","0.0471","","","","0.1254","","","","","","1.039","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510903","7.0757","0.0001","16.7851","0.0002","9.8164","0.0001","90","","94.27","0.01","90","","1162.62","0.03","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H10 Cl2 N2 O2 -","- C10 H10 Cl2 N2 O2 -","- C40 H40 Cl8 N8 O8 -","4","1","","Leblanc, Nicolas; Allain, Magali; Mercier, Nicolas; Cariati, Elena","ProtonatedN,N′-Dioxide-4,4′-bipyridine, an Interesting Synthon for the Building of Polar H-Bonded Networks?","Crystal Growth & Design","2011","11","12","5200","","10.1021/cg201299n","","x-ray","0.71073","MoKα","","0.0727","0.0366","","","0.0797","0.0962","","","","","","1.074","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510904","7.3066","0.0008","9.8027","0.0005","16.057","0.001","90","","90","","90","","1150.07","0.16","293","2","293","2","","","","","","","synthesis as described","5","P c a b","-P 2bc 2ac","61","","","","- C10 H10 Cl2 N2 O2 -","- C10 H10 Cl2 N2 O2 -","- C40 H40 Cl8 N8 O8 -","4","0.5","","Leblanc, Nicolas; Allain, Magali; Mercier, Nicolas; Cariati, Elena","ProtonatedN,N′-Dioxide-4,4′-bipyridine, an Interesting Synthon for the Building of Polar H-Bonded Networks?","Crystal Growth & Design","2011","11","12","5200","","10.1021/cg201299n","","x-ray","0.71073","MoKα","","0.0835","0.04","","","0.0718","0.0853","","","","","","1.075","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510906","16.602","0.003","10.546","0.002","7.07","0.0014","90","","99.3","0.03","90","","1221.6","0.4","150","2","150","2","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","Orcinol:Urea","","","- C9 H16 N4 O4 -","- C9 H16 N4 O4 -","- C36 H64 N16 O16 -","4","0.5","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71073","MoKα","","0.1041","0.088","","","0.2638","0.287","","","","","","1.173","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510907","17.213","0.003","8.478","0.0017","21.65","0.004","90","","91.04","0.03","90","","3158.9","1","150","2","150","2","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","Orcinol:N,NdimethylaminoPyridne","","","- C29 H37 Cl3 N4 O4 -","- C29 H37 Cl3 N4 O4 -","- C116 H148 Cl12 N16 O16 -","4","0.5","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71075","MoKα","","0.0722","0.0658","","","0.192","0.204","","","","","","1.042","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510908","7.8586","0.0019","8.1455","0.0019","16.239","0.004","83.929","0.006","81.521","0.006","86.524","0.006","1021.3","0.4","150","2","150","2","","","","","","","see text","4","P -1","-P 1","2","Orcinol: N,N-dimethyl,4-aminopyridine","","","- C21 H28 N4 O2 -","- C21 H28 N4 O2 -","- C42 H56 N8 O4 -","2","1","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71075","MoKα","","0.1706","0.1087","","","0.2962","0.3372","","","","","","1.063","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510909","6.9967","0.0014","8.5801","0.0017","13.531","0.003","90","","95.16","0.03","90","","809","0.3","150","2","150","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","Orcinol:Pyrazine","","","- C9 H10 N O2 -","- C9 H10 N O2 -","- C36 H40 N4 O8 -","4","1","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71073","MoKα","","0.041","0.0377","","","0.1029","0.1052","","","","","","1.08","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510910","13.845","0.003","9.6116","0.0017","15.059","0.003","90","","97.096","0.007","90","","1988.6","0.7","150","2","150","2","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","Orcinol:N,NdimethylaminoPyridne","","","- C21 H28 N4 O2 -","- C21 H28 N4 O2 -","- C84 H112 N16 O8 -","4","0.5","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71075","MoKα","","0.054","0.0415","","","0.1055","0.1125","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510911","7.495","0.002","17.596","0.005","14.389","0.004","90","","97.656","0.007","90","","1880.7","0.9","150","2","150","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","Orcinol:4-CyanoPyridine","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","1","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71075","MoKα","","0.0682","0.0489","","","0.127","0.1379","","","","","","1.049","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510912","7.837","0.002","9.702","0.003","17.83","0.005","98.229","0.007","100.908","0.007","103.819","0.007","1267.2","0.6","150","2","150","","","","","","","","see text","4","P -1","-P 1","2","Orcinol:Acridine","","","- C33 H26 N2 O2 -","- C33 H26 N2 O2 -","- C66 H52 N4 O4 -","2","1","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71075","MoKα","","0.1661","0.107","","","0.272","0.3193","","","","","","1.014","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510913","8.7636","0.0007","10.9081","0.0009","13.3171","0.0011","112.508","0.008","104.169","0.007","92.57","0.007","1126.56","0.18","150","2","150","2","","","","","","","see text","4","P -1","-P 1","2","Orcinol:Pyrimidine","","","- C11 H13 N3 O2 -","- C11 H13 N3 O2 -","- C44 H52 N12 O8 -","4","2","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71075","MoKα","","0.0561","0.0457","","","0.1168","0.1242","","","","","","1.054","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510914","7.2456","0.0012","12.316","0.002","12.59","0.002","90","","96.268","0.007","90","","1116.8","0.3","150","2","150","","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","Orcinol:Piperazine","","","- C11 H18 N2 O2 -","- C11 H18 N2 O2 -","- C44 H72 N8 O8 -","4","0.5","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71075","MoKα","","0.0416","0.0396","","","0.1116","0.1127","","","","","","1.12","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510915","20.06","0.003","20.06","0.003","6.423","0.0013","90","","90","","90","","2584.6","0.8","150","2","150","","","","","","","","see text","3","I -4","I -4","82","Orcinol","","","- C7 H8 O2 -","- C7 H8 O2 -","- C112 H128 O32 -","16","2","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71075","MoKα","","0.0826","0.0564","","","0.1439","0.2169","","","","","","1.059","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510916","8.176","0.0016","9.294","0.0019","16.888","0.003","102.32","0.03","102.03","0.03","93.53","0.03","1218.6","0.5","150","2","150","2","","","","","","","see text","4","P -1","-P 1","2","Orcinol:Phenazine","","","- C31 H24 N4 O2 -","- C31 H24 N4 O2 -","- C62 H48 N8 O4 -","2","1","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71075","MoKα","","0.1622","0.0804","","","0.1359","0.1747","","","","","","1.061","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510917","9.899","0.002","7.951","0.0016","9.1707","0.0018","90","","96.88","0.03","90","","716.6","0.3","150","2","150","2","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","Orcinol:H2O","","","- C7 H10 O3 -","- C7 H10 O3 -","- C28 H40 O12 -","4","1","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71073","MoKα","","0.0525","0.0436","","","0.1267","0.1441","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4510918","8.4494","0.0009","12.362","0.0013","19.748","0.002","83.323","0.007","77.689","0.007","89.497","0.006","2001.3","0.4","150","2","150","2","","","","","","","see text","4","P -1","-P 1","2","Orcinol:aminodimethylpyrimidine","","","- C19 H26 N6 O2 -","- C19 H26 N6 O2 -","- C76 H104 N24 O8 -","4","2","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","","0.71075","MoKα","","0.1331","0.0641","","","0.1584","0.1938","","","","","","1.015","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510919","9.339","0.0007","25.441","0.002","13.7503","0.0011","90","","90","","90","","3267","0.4","150","2","150","2","","","","","","","see text","4","P n a 21","P 2c -2n","33","Orcinol:Acridine Hydrate","","","- C20 H18 N O2.5 -","- C20 H18 N O2.5 -","- C160 H144 N8 O20 -","8","2","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71075","MoKα","","0.0446","0.041","","","0.0956","0.0976","","","","","","1.06","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510920","13.783","0.007","13.52","0.007","15.981","0.006","90","","124.11","0.03","90","","2466","2","150","2","150","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","Orcinol:Phenantrholine","","","- C31 H24 N4 O2 -","- C31 H24 N4 O2 -","- C124 H96 N16 O8 -","4","1","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71075","MoKα","","0.0574","0.047","","","0.1235","0.1373","","","","","","1.116","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510921","7.2","0.0014","7.5989","0.0015","35.894","0.007","90","","91.01","0.03","90","","1963.5","0.7","150","2","150","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","Orcinol:1245Tetracyanobenzene","","","- C22 H11 N6 O2 -","- C22 H11 N6 O2 -","- C88 H44 N24 O8 -","4","1","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71073","MoKα","","0.0817","0.0571","","","0.1669","0.1987","","","","","","1.081","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510922","17.572","0.003","21.702","0.004","7.065","0.0014","90","","90","","90","","2694.2","0.9","150","2","150","","","","","","","","see text","4","P c c n","-P 2ab 2ac","56","OrcinolHexamine","","","- C13 H20 N4 O2 -","- C13 H20 N4 O2 -","- C104 H160 N32 O16 -","8","1","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71073","MoKα","","0.0474","0.0408","","","0.1244","0.1421","","","","","","1.11","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510923","10.498","0.008","8.887","0.007","15.557","0.009","90","","113.8","0.04","90","","1328","1.7","150","2","150","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","Orcinol:4(N,N-dimethylaminopyridine","","","- C14 H18 N2 O2 -","- C14 H18 N2 O2 -","- C56 H72 N8 O8 -","4","1","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71075","MoKα","","0.0533","0.0465","","","0.124","0.1295","","","","","","1.069","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510924","7.926","0.0016","12.56","0.003","16.75","0.003","96.16","0.03","99.97","0.03","98.56","0.03","1608.8","0.6","150","2","150","2","","","","","","","see text","4","P -1","-P 1","2","Orcinol:Nicotinamide","","","- C31 H34 N8 O7 -","- C31 H34 N8 O7 -","- C62 H68 N16 O14 -","2","1","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71073","MoKα","","0.3593","0.1323","","","0.2927","0.4461","","","","","","1.007","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510925","13.784","0.014","16.174","0.017","24.55","0.02","90","","90","","90","","5473","9","150","2","150","","","","","","","","see text","3","P 21 21 21","P 2ac 2ab","19","Orcinol form II","","","- C7 H8 O2 -","- C7 H8 O2 -","- C224 H256 O64 -","32","8","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71075","MoKα","","0.11","0.0927","","","0.2247","0.2428","","","","","","1.233","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510926","33.63","0.007","7.26","0.0015","15.358","0.003","90","","95.65","0.03","90","","3731.5","1.3","150","","150","","","","","","","","see text","4","C 1 2/c 1","-C 2yc","15","Orcinol:Isonicotinamide","","","- C19 H20 N4 O4 -","- C19 H20 N4 O4 -","- C152 H160 N32 O32 -","8","1","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71073","MoKα","","0.0717","0.0554","","","0.1461","0.1661","","","","","","1.161","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510927","8.2817","0.0012","10.9094","0.0012","16.6","0.002","99.961","0.009","96.163","0.007","93.253","0.005","1464.3","0.3","150","2","150","2","","","","","","","see text","4","P -1","-P 1","2","(Orcinol:Nicotinamide)","","","- C31 H32 N8 O6 -","- C31 H32 N8 O6 -","- C62 H64 N16 O12 -","2","1","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71073","MoKα","","0.1042","0.0537","","","0.116","0.135","","","","","","0.994","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510928","8.29","0.0017","9.99","0.002","12.69","0.003","104.66","0.03","103.82","0.03","96.33","0.03","970.9","0.4","150","2","150","","","","","","","","see text","4","P -1","-P 1","2","Orcinol:Quinoxaline2:1","","","- C22 H22 N2 O4 -","- C22 H22 N2 O4 -","- C44 H44 N4 O8 -","2","1","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71075","MoKα","","0.1798","0.1056","","","0.2542","0.338","","","","","","1.087","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510929","7.0702","0.0014","14.274","0.003","19.73","0.004","90","","99.05","0.03","90","","1966.4","0.7","150","2","150","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","Orcinol:Quinoxaline","","","- C23 H20 N4 O2 -","- C23 H20 N4 O2 -","- C92 H80 N16 O8 -","4","1","","Mukherjee, Arijit; Grobelny, Pawel; Thakur, Tejender S.; Desiraju, Gautam R.","Polymorphs, Pseudopolymorphs, and Co-Crystals of Orcinol: Exploring the Structural Landscape with High Throughput Crystallography","Crystal Growth & Design","2011","11","6","2637","","10.1021/cg200361x","","x-ray","0.71073","MoKα","","0.1038","0.0676","","","0.1562","0.1831","","","","","","1.149","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510930","6.5942","0.0004","13.5455","0.0009","8.0423","0.0003","90","","90","","90","","718.35","0.07","100","2","100","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","phloroglucinol dihydrate","","- C6 H10 O5 -","- C6 H10 O5 -","- C24 H40 O20 -","4","0.5","","Thomas, Lynne H.; Craig, Gavin A.; Morrison, Carole A.; Reilly, Anthony M.; Wilson, Chick C.","New Route to Local Order Models for Disordered Crystalline Materials: Diffuse Scattering and Computational Modeling of Phloroglucinol Dihydrate","Crystal Growth & Design","2011","11","6","2045","","10.1021/cg101704h","","","0.71075","MoKα","","0.0362","0.0357","","","","0.1086","","","","","","1.132","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510931","7.2028","0.0002","11.7764","0.0003","17.1677","0.0005","90","","90","","90","","1456.22","0.07","100","2","100","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","paracetamol","acetaminophen","","- C8 H9 N O2 -","- C8 H9 N O2 -","- C64 H72 N8 O16 -","8","1","","Thomas, Lynne H.; Wales, Craig; Zhao, Lihua; Wilson, Chick C.","Paracetamol Form II: An Elusive Polymorph through Facile Multicomponent Crystallization Routes","Crystal Growth & Design","2011","11","5","1450","","10.1021/cg2002018","","","0.71073","MoKα","","0.0593","0.0471","","","0.1306","0.1394","","","","","","1.206","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510932","12.5115","0.0004","7.3273","0.0002","12.6648","0.0004","90","","100.052","0.002","90","","1143.23","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","","Zipp, Caitlin F.; Fernandes, Manuel. A.; Marques, Helder M.; Michael, Joseph P.; Perry, Christopher B.","Polymorphs ofN-[2-(Hydroxymethyl)phenyl]benzamide: Structural Characterization and Analysis of Molecule···Molecule Interactions by Means of Atom−Atom Potentials and DFT","Crystal Growth & Design","2011","11","5","1431","","10.1021/cg101733u","","","0.71073","MoKα","","0.0542","0.0417","","","0.0977","0.105","","","","","","1.007","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510933","5.1936","0.0006","13.2328","0.0014","17.0316","0.0017","90","","90.125","0.004","90","","1170.5","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","","Zipp, Caitlin F.; Fernandes, Manuel. A.; Marques, Helder M.; Michael, Joseph P.; Perry, Christopher B.","Polymorphs ofN-[2-(Hydroxymethyl)phenyl]benzamide: Structural Characterization and Analysis of Molecule···Molecule Interactions by Means of Atom−Atom Potentials and DFT","Crystal Growth & Design","2011","11","5","1431","","10.1021/cg101733u","","","0.71073","MoKα","","0.1067","0.0555","","","0.1193","0.137","","","","","","1.053","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510935","7.584","0.004","13.088","0.007","6.198","0.003","90","","90","","90","","615.2","0.5","90","1","90","1","","","","","","","see text","3","P n a 21","P 2c -2n","33","","","","- C8 H5 F -","- C8 H5 F -","- C32 H20 F4 -","4","1","","Dikundwar, Amol G.; Sathishkumar, Ranganathan; Guru Row, Tayur N.; Desiraju, Gautam R.","Structural Variability in the Monofluoroethynylbenzenes Mediated through Interactions Involving “Organic” Fluorine","Crystal Growth & Design","2011","11","9","3954","","10.1021/cg2005453","","x-ray","0.71073","MoKα","","0.0912","0.0636","","","0.1338","0.1435","","","","","","1.024","","","","has coordinates,has disorder","179656","2020-10-21","18:00:00",""
"4510936","6.0163","0.0011","13.997","0.003","22.244","0.004","90","","90.304","0.004","90","","1873.1","0.6","90","1","90","1","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 F -","- C8 H5 F -","- C96 H60 F12 -","12","3","","Dikundwar, Amol G.; Sathishkumar, Ranganathan; Guru Row, Tayur N.; Desiraju, Gautam R.","Structural Variability in the Monofluoroethynylbenzenes Mediated through Interactions Involving “Organic” Fluorine","Crystal Growth & Design","2011","11","9","3954","","10.1021/cg2005453","","x-ray","0.71073","MoKα","","0.1144","0.0595","","","0.133","0.1502","","","","","","1.009","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510937","7.101","0.002","6.5984","0.0018","13.273","0.004","90","","99.882","0.004","90","","612.7","0.3","90","1","90","1","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 F -","- C8 H5 F -","- C32 H20 F4 -","4","1","","Dikundwar, Amol G.; Sathishkumar, Ranganathan; Guru Row, Tayur N.; Desiraju, Gautam R.","Structural Variability in the Monofluoroethynylbenzenes Mediated through Interactions Involving “Organic” Fluorine","Crystal Growth & Design","2011","11","9","3954","","10.1021/cg2005453","","x-ray","0.71073","MoKα","","0.0438","0.0416","","","0.1027","0.1038","","","","","","1.151","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510938","7.0506","0.0015","5.932","0.0013","7.4848","0.0016","90","","103.46","0.003","90","","304.45","0.11","90","1","90","1","","","","","","","see text","3","P 1 21 1","P 2yb","4","","","","- C8 H5 F -","- C8 H5 F -","- C16 H10 F2 -","2","1","","Dikundwar, Amol G.; Sathishkumar, Ranganathan; Guru Row, Tayur N.; Desiraju, Gautam R.","Structural Variability in the Monofluoroethynylbenzenes Mediated through Interactions Involving “Organic” Fluorine","Crystal Growth & Design","2011","11","9","3954","","10.1021/cg2005453","","x-ray","0.71073","MoKα","","0.0388","0.0363","","","0.1043","0.106","","","","","","1.087","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4510939","3.868","0.003","5.941","0.004","13.486","0.009","90","","98.089","0.012","90","","306.8","0.4","90","1","90","1","","","","","","","see text","3","P 1 21 1","P 2yb","4","","","","- C8 H5 F -","- C8 H5 F -","- C16 H10 F2 -","2","1","","Dikundwar, Amol G.; Sathishkumar, Ranganathan; Guru Row, Tayur N.; Desiraju, Gautam R.","Structural Variability in the Monofluoroethynylbenzenes Mediated through Interactions Involving “Organic” Fluorine","Crystal Growth & Design","2011","11","9","3954","","10.1021/cg2005453","","x-ray","0.71073","MoKα","","0.1019","0.0673","","","0.1448","0.1582","","","","","","1.009","","","","has coordinates","179656","2020-10-21","18:00:00",""
"4513734","8.5482","0.0017","11.007","0.002","12.743","0.003","73.48","0.03","82.03","0.03","83.95","0.03","1135.6","0.4","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H21 N2 O9 P S -","- C20 H21 N2 O9 P S -","- C40 H42 N4 O18 P2 S2 -","2","1","","Wang, Xiaoyan; Feng, Mengli; Xiao, Lu; Tong, Aijun; Xiang, Yu","Postsynthetic Modification of DNA Phosphodiester Backbone for Photocaged DNAzyme.","ACS chemical biology","2016","11","2","444","451","10.1021/acschembio.5b00867","","","0.71073","MoKα","","0.0954","0.0724","","","","0.1855","","","","","","1.1656","","","","has coordinates","177377","2020-10-21","18:00:00",""
"4513800","12.8402","0.0008","5.0878","0.0003","29.1529","0.0017","90","","100.425","0.001","90","","1873.07","0.19","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N3 O4 -","- C22 H21 N3 O4 -","- C88 H84 N12 O16 -","4","1","","Morgen, Michael; Jöst, Christian; Malz, Mona; Janowski, Robert; Niessing, Dierk; Klein, Christian D.; Gunkel, Nikolas; Miller, Aubry K.","Spiroepoxytriazoles Are Fumagillin-like Irreversible Inhibitors of MetAP2 with Potent Cellular Activity.","ACS chemical biology","2016","11","4","1001","1011","10.1021/acschembio.5b00755","","","0.71073","MoKα","","0.0564","0.0456","","","0.1337","0.1517","","","","","","1.094","","","","has coordinates","182488","2020-10-21","18:00:00",""
"4513828","6.5242","0.0007","18.975","0.002","29.829","0.003","90","","90","","90","","3692.7","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H63 N O5 S2 -","- C37 H63 N O5 S2 -","- C148 H252 N4 O20 S8 -","4","1","","Abrams, Rachel P.; Carroll, William L.; Woerpel, K. A.","Five-Membered Ring Peroxide Selectively Initiates Ferroptosis in Cancer Cells.","ACS chemical biology","2016","11","5","1305","1312","10.1021/acschembio.5b00900","","","0.71073","MoKα","","0.0792","0.0503","","","0.1008","0.1117","","","","","","1.036","","","","has coordinates","183551","2020-10-21","18:00:00",""
"4514078","7.388","0.01","9.215","0.013","24.53","0.03","90","","90","","90","","1670","4","298","2","298.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H0.25 N O6 -","- C18 H17 N O6 -","- C72 H68 N4 O24 -","4","1","","Xing, Pengyao; Li, Peizhou; Chen, Hongzhong; Hao, Aiyou; Zhao, Yanli","Understanding Pathway Complexity of Organic Micro/Nanofiber Growth in Hydrogen-Bonded Coassembly of Aromatic Amino Acids.","ACS nano","2017","11","4","4206","4216","10.1021/acsnano.7b01161","","","0.71073","MoKα","","0.0766","0.0478","","","0.1306","0.1652","","","","","","1.051","","","","has coordinates","196110","2020-10-21","18:00:00",""
"4514079","16.3481","0.0011","27.8153","0.0019","4.8516","0.0003","90","","90","","90","","2206.2","0.3","293","2","293","2","","","","","","","","4","P 1 1 a","P -2a","7","","","","- C20 H25 N7 O6 -","- C20 H25 N7 O6 -","- C80 H100 N28 O24 -","4","2","","Xing, Pengyao; Li, Peizhou; Chen, Hongzhong; Hao, Aiyou; Zhao, Yanli","Understanding Pathway Complexity of Organic Micro/Nanofiber Growth in Hydrogen-Bonded Coassembly of Aromatic Amino Acids.","ACS nano","2017","11","4","4206","4216","10.1021/acsnano.7b01161","","","1.54184","CuKα","","0.2163","0.1658","","","0.4319","0.4784","","","","","","1.053","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4514113","10.8621","0.0006","5.3971","0.0003","18.8997","0.001","90","","93.336","0.004","90","","1106.1","0.1","143","2","143","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H23 N O6 -","- C26.006 H23.005 N O6 -","- C52.012 H46.01 N2 O12 -","2","1","","Xing, Pengyao; Li, Peizhou; Chen, Hongzhong; Hao, Aiyou; Zhao, Yanli","Understanding Pathway Complexity of Organic Micro/Nanofiber Growth in Hydrogen-Bonded Coassembly of Aromatic Amino Acids.","ACS nano","2017","11","4","4206","4216","10.1021/acsnano.7b01161","","","1.54178","CuKα","","0.1002","0.0785","","","0.1846","0.2047","","","","","","1.016","","","","has coordinates,has disorder","195924","2020-10-21","18:00:00",""
"4514114","9.494","0.005","10.567","0.006","10.951","0.006","90","","97.678","0.005","90","","1088.8","1","298","2","298.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H0 N19 O27 -","- C52 H44 N4 O8 -","- C52 H44 N4 O8 -","1","0.5","","Xing, Pengyao; Li, Peizhou; Chen, Hongzhong; Hao, Aiyou; Zhao, Yanli","Understanding Pathway Complexity of Organic Micro/Nanofiber Growth in Hydrogen-Bonded Coassembly of Aromatic Amino Acids.","ACS nano","2017","11","4","4206","4216","10.1021/acsnano.7b01161","","","0.71","MoKα","","0.0852","0.0635","","","0.1624","0.1762","","","","","","1.036","","","","has coordinates","195925","2020-10-21","18:00:00",""
"4514296","12.9758","0.0005","7.5976","0.0003","16.6409","0.0009","90","","95.664","0.004","90","","1632.53","0.13","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H38 N2 O8 -","- C34 H38 N2 O8 -","- C68 H76 N4 O16 -","2","1","","Liu, Guofeng; Li, Xin; Sheng, Jianhui; Li, Pei-Zhou; Ong, Wee Kong; Phua, Soo Zeng Fiona; Ågren, Hans; Zhu, Liangliang; Zhao, Yanli","Helicity Inversion of Supramolecular Hydrogels Induced by Achiral Substituents.","ACS nano","2017","11","12","11880","11889","10.1021/acsnano.7b06097","","","1.54184","CuKα","","0.0354","0.033","","","0.0874","0.09","","","","","","1.036","","","","has coordinates","204780","2020-10-21","18:00:00",""
"4514297","12.7269","0.0006","7.587","0.0003","16.475","0.0007","90","","95.706","0.004","90","","1582.93","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H38 N2 O8 -","- C34 H38 N2 O8 -","- C68 H76 N4 O16 -","2","1","","Liu, Guofeng; Li, Xin; Sheng, Jianhui; Li, Pei-Zhou; Ong, Wee Kong; Phua, Soo Zeng Fiona; Ågren, Hans; Zhu, Liangliang; Zhao, Yanli","Helicity Inversion of Supramolecular Hydrogels Induced by Achiral Substituents.","ACS nano","2017","11","12","11880","11889","10.1021/acsnano.7b06097","","","1.54184","CuKα","","0.0437","0.0377","","","0.0951","0.101","","","","","","1.087","","","","has coordinates","204780","2020-10-21","18:00:00",""
"4514404","38.36","0.003","38.36","0.003","38.36","0.003","90","","90","","90","","56446","8","293","2","293","2","","","","","","","","7","I m -3 m","-I 4 2 3","229","","","","- C64.8 H39.73 Cl N4 Ni O21.33 Zr4 -","- C64.8 H39.7333 Cl N4 Ni O21.3333 Zr4 -","- C777.6 H476.8 Cl12 N48 Ni12 O256 Zr48 -","12","0.125","","Zhang, Liangliang; Yuan, Shuai; Fan, Weidong; Pang, Jiandong; Li, Fugang; Guo, Bingbing; Zhang, Peng; Sun, Daofeng; Zhou, Hong-Cai","Cooperative Sieving and Functionalization of Zr Metal-Organic Frameworks through Insertion and Post-Modification of Auxiliary Linkers.","ACS applied materials & interfaces","2019","11","25","22390","22397","10.1021/acsami.9b05091","","","0.71073","MoKα","","0.1413","0.1163","","","0.3037","0.3181","","","","","","1.112","","","","has coordinates,has disorder","223174","2020-10-21","18:00:00",""
"4514405","23.1534","0.0007","33.9456","0.0011","15.025","0.0004","90","","90","","90","","11809","0.6","100","2","100","2","","","","","","","","4","C m m m","-C 2 2","65","","","","- C50 H33 O18 Zr3 -","- C50 H33 O18 Zr3 -","- C200 H132 O72 Zr12 -","4","0.25","","Zhang, Liangliang; Yuan, Shuai; Fan, Weidong; Pang, Jiandong; Li, Fugang; Guo, Bingbing; Zhang, Peng; Sun, Daofeng; Zhou, Hong-Cai","Cooperative Sieving and Functionalization of Zr Metal-Organic Frameworks through Insertion and Post-Modification of Auxiliary Linkers.","ACS applied materials & interfaces","2019","11","25","22390","22397","10.1021/acsami.9b05091","","","1.54184","CuKα","","0.0791","0.063","","","0.1613","0.1653","","","","","","1.11","","","","has coordinates,has disorder","223174","2020-10-21","18:00:00",""
"4514443","13.6261","0.0019","15.4733","0.0018","16.25","0.002","71.128","0.009","69.144","0.008","70.733","0.008","2938.8","0.7","173","2","173.15","","","","","","","","","8","P -1","-P 1","2","","","","- C54.78 H47.78 B Cl5.36 Ir N2 O6 S3 -","- C54.786 H47.786 B Cl5.358 Ir N2 O6 S3 -","- C109.572 H95.572 B2 Cl10.716 Ir2 N4 O12 S6 -","2","1","","Sun, Yuanhui; Yang, Xiaolong; Feng, Zhao; Liu, Boao; Zhong, Daokun; Zhang, Junjie; Zhou, Guijiang; Wu, Zhaoxin","Highly Efficient Deep-Red Organic Light-Emitting Devices Based on Asymmetric Iridium(III) Complexes with the Thianthrene 5,5,10,10-Tetraoxide Moiety.","ACS applied materials & interfaces","2019","11","29","26152","26164","10.1021/acsami.9b06749","","","0.71073","MoKα","","0.0573","0.0538","","","0.1245","0.1272","","","","","","1.096","","","","has coordinates","219632","2020-10-21","18:00:00",""
"4514444","17.1954","0.0005","11.6728","0.0003","25.8504","0.0009","90","","96.112","0.003","90","","5159.2","0.3","173","2","173.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C56 H49 B Cl3 Ir N2 O6 S2 -","- C56 H49 B Cl3 Ir N2 O6 S2 -","- C224 H196 B4 Cl12 Ir4 N8 O24 S8 -","4","1","","Sun, Yuanhui; Yang, Xiaolong; Feng, Zhao; Liu, Boao; Zhong, Daokun; Zhang, Junjie; Zhou, Guijiang; Wu, Zhaoxin","Highly Efficient Deep-Red Organic Light-Emitting Devices Based on Asymmetric Iridium(III) Complexes with the Thianthrene 5,5,10,10-Tetraoxide Moiety.","ACS applied materials & interfaces","2019","11","29","26152","26164","10.1021/acsami.9b06749","","","0.71073","MoKα","","0.1154","0.0677","","","0.1242","0.1431","","","","","","1.027","","","","has coordinates","219633","2020-10-21","18:00:00",""
"4514445","7.2177","0.0004","10.8688","0.0004","22.4117","0.0009","90","","96.123","0.004","90","","1748.12","0.14","120","10","120","10","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H13 N3 Ni O5 -","- C20 H13 N3 Ni O5 -","- C80 H52 N12 Ni4 O20 -","4","1","","Du, Jia; Li, Yong; Liu, Hongwen; Shi, Wei; Moskaleva, Lyudmila V.; Cheng, Peng","Formation of One-Dimensional Coordination Chains for High-Performance Anode Materials of Lithium-Ion Batteries via a Bottom-Up Approach.","ACS applied materials & interfaces","2019","11","29","25863","25869","10.1021/acsami.9b06114","","x-ray","0.71073","MoKα","","0.0721","0.0467","","","0.1057","0.1307","","","","","","0.833","","","","has coordinates","219634","2020-10-21","18:00:00",""
"4514446","14.9446","0.0004","17.4259","0.0005","22.8666","0.0006","90","","90","","90","","5955","0.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H22 N6 Ni O5 -","- C32 H22 N6 Ni O5 -","- C256 H176 N48 Ni8 O40 -","8","2","","Du, Jia; Li, Yong; Liu, Hongwen; Shi, Wei; Moskaleva, Lyudmila V.; Cheng, Peng","Formation of One-Dimensional Coordination Chains for High-Performance Anode Materials of Lithium-Ion Batteries via a Bottom-Up Approach.","ACS applied materials & interfaces","2019","11","29","25863","25869","10.1021/acsami.9b06114","","","0.71073","MoKα","","0.081","0.0632","","","0.1561","0.1729","","","","","","1.038","","","","has coordinates","219635","2020-10-21","18:00:00",""
"4514447","17.537","0.003","6.5494","0.001","27.351","0.004","90","","97.532","0.008","90","","3114.3","0.8","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H26 N28 O17 -","- C12 H26 N28 O17 -","- C48 H104 N112 O68 -","4","0.5","","Ma, Jinchao; Tang, Jie; Yang, Hongwei; Yi, Zhenxin; Wu, Ganggang; Zhu, Shunguan; Zhang, Wenchao; Li, Yanchun; Cheng, Guangbin","Polynitro-Functionalized Triazolylfurazanate Triaminoguanidine: Novel Green Primary Explosive with Insensitive Nature.","ACS applied materials & interfaces","2019","11","29","26053","26059","10.1021/acsami.9b08363","","","0.71073","MoKα","","0.1161","0.0978","","","0.2552","0.2713","","","","","","1.081","","","","has coordinates","219636","2020-10-21","18:00:00",""
"4514448","25.805","0.005","25.805","0.005","6.7837","0.0011","90","","90","","120","","3912.1","1.2","110","2","110","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C24 H5.26 Co6 I2.66 O18 -","- C24 H5.244 Co6 I2.613 O18 -","- C72 H15.732 Co18 I7.839 O54 -","3","0.166667","","Lee, Byeongchan; Chen, Ying-Pin; Park, Jinkyu; Park, Jinhee","Visualization of Iodine Chemisorption Facilitated by Aryl C-H Bond Activation.","ACS applied materials & interfaces","2019","11","29","25817","25823","10.1021/acsami.9b04768","","","0.71073","MoKα","","0.2383","0.1265","","","0.25","0.3096","","","","","","1.008","","","","has coordinates,has disorder","219637","2020-10-21","18:00:00",""
"4514449","25.819","0.004","25.819","0.004","6.742","0.0014","90","","90","","120","","3892.2","1.2","100","2","100","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C24 H5.06 Co6 I3.49 O18 -","- C24 H5.055 Co6 I3.561 O18 -","- C72 H15.165 Co18 I10.683 O54 -","3","0.166667","","Lee, Byeongchan; Chen, Ying-Pin; Park, Jinkyu; Park, Jinhee","Visualization of Iodine Chemisorption Facilitated by Aryl C-H Bond Activation.","ACS applied materials & interfaces","2019","11","29","25817","25823","10.1021/acsami.9b04768","","","0.7","synchrotron","","0.0611","0.0593","","","0.1489","0.1501","","","","","","1.045","","","","has coordinates,has disorder","219638","2020-10-21","18:00:00",""
"4514450","25.588","0.004","25.588","0.004","6.887","0.0014","90","","90","","120","","3905.1","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H6 Co6 I5.7 O18 -","- C24 H6 Co6 I5.784 O18 -","- C72 H18 Co18 I17.352 O54 -","3","0.166667","","Lee, Byeongchan; Chen, Ying-Pin; Park, Jinkyu; Park, Jinhee","Visualization of Iodine Chemisorption Facilitated by Aryl C-H Bond Activation.","ACS applied materials & interfaces","2019","11","29","25817","25823","10.1021/acsami.9b04768","","","0.7","synchrotron","","0.2881","0.1665","","","0.3126","0.355","","","","","","1.023","","","","has coordinates,has disorder","219639","2020-10-21","18:00:00",""
"4514451","25.802","0.0017","25.802","0.0017","6.784","0.002","90","","90","","120","","3911.3","1.2","100","2","100","2","","","","","","","","5","R 3 m :H","R 3 -2""","160","","","","- C24 H4.54 Co6 I5.71 O18 -","- C24 H4.509 Co6 I5.943 O18 -","- C72 H13.527 Co18 I17.829 O54 -","3","0.166667","","Lee, Byeongchan; Chen, Ying-Pin; Park, Jinkyu; Park, Jinhee","Visualization of Iodine Chemisorption Facilitated by Aryl C-H Bond Activation.","ACS applied materials & interfaces","2019","11","29","25817","25823","10.1021/acsami.9b04768","","","0.7","synchrotron","","0.0632","0.0544","","","0.1295","0.1332","","","","","","1.034","","","","has coordinates,has disorder","219640","2020-10-21","18:00:00",""
"4514452","26.037","0.004","26.037","0.004","6.699","0.0013","90","","90","","120","","3933","1.1","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H6 Co6 I1.35 O18 -","- C24 H6 Co6 I1.644 O18 -","- C72 H18 Co18 I4.932 O54 -","3","0.166667","","Lee, Byeongchan; Chen, Ying-Pin; Park, Jinkyu; Park, Jinhee","Visualization of Iodine Chemisorption Facilitated by Aryl C-H Bond Activation.","ACS applied materials & interfaces","2019","11","29","25817","25823","10.1021/acsami.9b04768","","","0.7","synchrotron","","0.0769","0.075","","","0.1927","0.1937","","","","","","1.044","","","","has coordinates","219641","2020-10-21","18:00:00",""
"4514453","16.6538","0.0015","26.557","0.002","33.04","0.003","90","","101.09","0.002","90","","14340","2","296","2","296.15","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C204 H260 F24 Mo24 N5 O104 P2 Zn8 -","- C204 H260 F24 Mo24 N5 O104 P2 Zn8 -","- C408 H520 F48 Mo48 N10 O208 P4 Zn16 -","2","0.25","","Li, Xiao-Xin; Liu, Jiang; Zhang, Lei; Dong, Long-Zhang; Xin, Zhi-Feng; Li, Shun-Li; Huang-Fu, Xue-Qing; Huang, Kai; Lan, Ya-Qian","Hydrophobic Polyoxometalate-Based Metal-Organic Framework for Efficient CO<sub>2</sub> Photoconversion.","ACS applied materials & interfaces","2019","11","29","25790","25795","10.1021/acsami.9b03861","","","0.71073","MoKα","","0.0514","0.0402","","","0.0954","0.1035","","","","","","1.17","","","","has coordinates,has disorder","219642","2020-10-21","18:00:00",""
"4514454","15.9364","0.001","8.7847","0.0004","26.9921","0.0019","90","","102.532","0.007","90","","3688.8","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H46 N2 S4 -","- C42 H46 N2 S4 -","- C168 H184 N8 S16 -","4","1","","Huang, Yi-Fan; Wang, Chun-Kai; Lai, Bo-Han; Chung, Chin-Lung; Chen, Chin-Yi; Ciou, Guan-Ting; Wong, Ken-Tsung; Wang, Chien-Lung","Influences of Structural Modification of S, N-Hexacenes on the Morphology and OFET Characteristics.","ACS applied materials & interfaces","2019","11","24","21756","21765","10.1021/acsami.9b04284","","","1.54178","CuKα","","0.141","0.0789","","","0.1991","0.2616","","","","","","1.081","","","","has coordinates,has disorder","219643","2020-10-21","18:00:00",""
"4514455","8.5058","0.0002","13.0542","0.0003","7.9663","0.0002","90","","104.207","0.003","90","","857.5","0.04","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N2 S4 -","- C18 H14 N2 S4 -","- C36 H28 N4 S8 -","2","0.5","","Huang, Yi-Fan; Wang, Chun-Kai; Lai, Bo-Han; Chung, Chin-Lung; Chen, Chin-Yi; Ciou, Guan-Ting; Wong, Ken-Tsung; Wang, Chien-Lung","Influences of Structural Modification of S, N-Hexacenes on the Morphology and OFET Characteristics.","ACS applied materials & interfaces","2019","11","24","21756","21765","10.1021/acsami.9b04284","","","1.54178","CuKα","","0.0398","0.0365","","","0.0968","0.1007","","","","","","1.05","","","","has coordinates","219644","2020-10-21","18:00:00",""
"4514456","14.263","0.003","5.4465","0.0011","19.286","0.003","90","","99.215","0.014","90","","1478.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 N2 S4 -","- C30 H38 N2 S4 -","- C60 H76 N4 S8 -","2","0.5","","Huang, Yi-Fan; Wang, Chun-Kai; Lai, Bo-Han; Chung, Chin-Lung; Chen, Chin-Yi; Ciou, Guan-Ting; Wong, Ken-Tsung; Wang, Chien-Lung","Influences of Structural Modification of S, N-Hexacenes on the Morphology and OFET Characteristics.","ACS applied materials & interfaces","2019","11","24","21756","21765","10.1021/acsami.9b04284","","","1.54178","CuKα","","0.1518","0.1128","","","0.2911","0.3379","","","","","","1.116","","","","has coordinates","219645","2020-10-21","18:00:00",""
"4514457","14.1619","0.0004","16.7951","0.0005","23.6544","0.0008","90","","90","","90","","5626.2","0.3","100","2","100","2","","","","","","","","5","P 2 21 21","P 2bc 2","18","(Rac)-AlaNDI-Cd","","","- C107 H111 Cd4 N17 O41 -","- C107 H111 Cd4 N17 O41 -","- C214 H222 Cd8 N34 O82 -","2","0.5","","Shang, Xiaobo; Song, Inho; Lee, Jeong Hyeon; Choi, Wanuk; Ohtsu, Hiroyoshi; Jung, Gwan Yeong; Ahn, Jaeyong; Han, Myeonggeun; Koo, Jin Young; Kawano, Masaki; Kwak, Sang Kyu; Oh, Joon Hak","Heterochiral Doped Supramolecular Coordination Networks for High-Performance Optoelectronics.","ACS applied materials & interfaces","2019","11","22","20174","20182","10.1021/acsami.9b04653","","","0.71073","MoKα","","0.1587","0.1158","","","0.2272","0.2519","","","","","","1.096","","","","has coordinates,has disorder","219646","2020-10-21","18:00:00",""
"4514458","16.7454","0.0006","23.717","0.0008","14.1718","0.0005","90","","90","","90","","5628.3","0.3","100","2","100","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","(R)-AlaNDI-Cd","","","- C107 H111 Cd4 N17 O41 -","- C107 H111 Cd4 N17 O41 -","- C214 H222 Cd8 N34 O82 -","2","0.5","","Shang, Xiaobo; Song, Inho; Lee, Jeong Hyeon; Choi, Wanuk; Ohtsu, Hiroyoshi; Jung, Gwan Yeong; Ahn, Jaeyong; Han, Myeonggeun; Koo, Jin Young; Kawano, Masaki; Kwak, Sang Kyu; Oh, Joon Hak","Heterochiral Doped Supramolecular Coordination Networks for High-Performance Optoelectronics.","ACS applied materials & interfaces","2019","11","22","20174","20182","10.1021/acsami.9b04653","","","0.71073","MoKα","","0.0781","0.0618","","","0.1362","0.1456","","","","","","1.073","","","","has coordinates,has disorder","219647","2020-10-21","18:00:00",""
"4514459","26.326","0.0013","26.326","","26.326","","90","","90","","90","","18245.5","0.9","103","2","103","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","","","","- C331.78 H313.34 Cu48 O278.78 P14.59 -","- C331.52 H313.92 Cu48 O278.4 P14.4 -","- C331.52 H313.92 Cu48 O278.4 P14.4 -","1","0.00520833","","Qi, Xiao-Lin; Zhou, Dong-Dong; Zhang, Jing; Hu, Shuang; Haranczyk, Maciej; Wang, De-Yi","Simultaneous Improvement of Mechanical and Fire-Safety Properties of Polymer Composites with Phosphonate-Loaded MOF Additives.","ACS applied materials & interfaces","2019","11","22","20325","20332","10.1021/acsami.9b02357","","","0.82657","synchrotron","","0.0749","0.0722","","","0.2466","0.2487","","","","","","1.09","","","","has coordinates,has disorder","219648","2020-10-21","18:00:00",""
"4514460","14.139","0.002","5.4582","0.0009","17.551","0.003","90","","113.091","0.002","90","","1246","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","","Liu, Huapeng; Lu, Zhuoqun; Ye, Kaiqi; Zhang, Zuolun; Zhang, Hongyu","Polymorph-Dependent Luminescence Response to Acid Vapors and Its Application in Safety Protection of File Information.","ACS applied materials & interfaces","2019","11","37","34526","34531","10.1021/acsami.9b14474","","","0.71073","MoKα","","0.0758","0.0547","","","0.131","0.1446","","","","","","1.073","","","","has coordinates","219649","2020-10-21","18:00:00",""
"4514461","12.091","0.002","14.151","0.003","7.3872","0.0015","90","","90.06","0.03","90","","1263.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 N O -","- C17 H13 N O -","- C68 H52 N4 O4 -","4","1","","Liu, Huapeng; Lu, Zhuoqun; Ye, Kaiqi; Zhang, Zuolun; Zhang, Hongyu","Polymorph-Dependent Luminescence Response to Acid Vapors and Its Application in Safety Protection of File Information.","ACS applied materials & interfaces","2019","11","37","34526","34531","10.1021/acsami.9b14474","","","0.71073","MoKα","","0.0804","0.0521","","","0.1301","0.1425","","","","","","1.006","","","","has coordinates","219650","2020-10-21","18:00:00",""
"4514462","4.7869","0.0003","10.7951","0.0008","12.763","0.0009","109.571","0.003","91.067","0.003","91.47","0.003","620.96","0.08","100","2","100","","","","","","","","","4","P 1","P 1","1","","","","- C17 H13 N O -","- C17 H13 N O -","- C34 H26 N2 O2 -","2","2","","Liu, Huapeng; Lu, Zhuoqun; Ye, Kaiqi; Zhang, Zuolun; Zhang, Hongyu","Polymorph-Dependent Luminescence Response to Acid Vapors and Its Application in Safety Protection of File Information.","ACS applied materials & interfaces","2019","11","37","34526","34531","10.1021/acsami.9b14474","","","0.71073","MoKα","","0.0934","0.0692","","","0.1661","0.1803","","","","","","1.036","","","","has coordinates","219651","2020-10-21","18:00:00",""
"4514463","10.0401","0.0004","23.4802","0.0011","16.1398","0.0006","90","","91.345","0.004","90","","3803.8","0.3","170.01","0.1","170.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C71 H11 N O2 S2 -","- C71 H11 N O2 S2 -","- C284 H44 N4 O8 S8 -","4","1","","Liu, Hao-Ran; Li, Shu-Hui; Deng, Lin-Long; Wang, Ze-Yu; Xing, Zhou; Rong, Xiang; Tian, Han-Rui; Li, Xin; Xie, Su-Yuan; Huang, Rong-Bin; Zheng, Lan-Sun","Pyridine-Functionalized Fullerene Electron Transport Layer for Efficient Planar Perovskite Solar Cells.","ACS applied materials & interfaces","2019","11","27","23982","23989","10.1021/acsami.9b03304","","x-ray","1.54184","CuKα","","0.0821","0.0607","","","0.1541","0.1769","","","","","","1.044","","","","has coordinates","219652","2020-10-21","18:00:00",""
"4514464","10.8516","0.0002","12.9946","0.0003","27.6264","0.0007","90","","99.212","0.001","90","","3845.42","0.15","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H45 Cl2 Cu4 N28 O50 P W12 -","- C36 H24 Cl2 Cu4 N28 O50.564 P W12 -","- C72 H48 Cl4 Cu8 N56 O101.128 P2 W24 -","2","0.5","","Chang, Shenzhen; An, Haiyan; Chen, Yanhong; Hou, Yujiao; Zhang, Jie; Zhu, Qingshan","Multiunit Catalysts with Synergistic Reactivity: Three-Dimensional Polyoxometalate-Based Coordination Polymers for Highly Efficient Synthesis of Functionalized <i>p</i>-Benzoquinones.","ACS applied materials & interfaces","2019","11","41","37908","37919","10.1021/acsami.9b14928","","","0.71073","MoKα","","0.0563","0.0469","","","0.0905","0.094","","","","","","1.078","","","","has coordinates,has disorder","219653","2020-10-21","18:00:00",""
"4514465","20.88","0.003","20.543","0.003","20.654","0.003","90","","113.765","0.003","90","","8108","2","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 Cl3 Cu17 N36 O41 P W12 -","- C24 H24 Cl3 Cu17 N36 O41 P W12 -","- C96 H96 Cl12 Cu68 N144 O164 P4 W48 -","4","0.5","","Chang, Shenzhen; An, Haiyan; Chen, Yanhong; Hou, Yujiao; Zhang, Jie; Zhu, Qingshan","Multiunit Catalysts with Synergistic Reactivity: Three-Dimensional Polyoxometalate-Based Coordination Polymers for Highly Efficient Synthesis of Functionalized <i>p</i>-Benzoquinones.","ACS applied materials & interfaces","2019","11","41","37908","37919","10.1021/acsami.9b14928","","","0.71073","MoKα","","0.0469","0.0337","","","0.0773","0.0837","","","","","","1.025","","","","has coordinates,has disorder","219654","2020-10-21","18:00:00",""
"4514466","12.1029","0.0002","12.1029","0.0002","4.8825","0.0001","90","","90","","120","","619.372","0.019","293","2","293","2","","","","","","","","7","P 3 m 1","P 3 -2""","156","","","","- Al5.56 Eu0.15 Li N23.1 O6.32 Si14.27 Sr3.43 -","- Al5.5596 Eu0.1528 Li N23.0958 O6.3181 Si14.268 Sr3.4334 -","- Al5.5596 Eu0.1528 Li N23.0958 O6.3181 Si14.268 Sr3.4334 -","1","0.166667","","Wang, Chun-Yun; Takeda, Takashi; Melvin Ten Kate, Otmar; Funahashi, Shiro; Xie, Rong-Jun; Takahashi, Kohsei; Hirosaki, Naoto","New Deep-Blue-Emitting Ce-Doped A<sub>4-<i>m</i></sub>B<sub> <i>n</i> </sub>C<sub>19+2<i>m</i></sub>X<sub>29+<i>m</i></sub> (A = Sr, La; B = Li; C = Si, Al; X = O, N; 0 ≤ <i>m</i> ≤ 1; 0 ≤ <i>n</i> ≤ 1) Phosphors for High-Color-Rendering Warm White Light-Emitting Diodes.","ACS applied materials & interfaces","2019","11","32","29047","29055","10.1021/acsami.9b09982","","","0.71073","MoKα","","0.0388","0.0301","","","","0.0656","","","","","","0.983","","","","has coordinates","219655","2020-10-21","18:00:00",""
"4514467","12.168","0.0006","12.168","0.0006","4.829","0.0003","90","","90","","120","","619.19","0.06","293","2","293","2","","","","","","","","7","P 3 m 1","P 3 -2""","156","","","","- Al4.51 Eu0.41 La3.19 Li N27.28 O2.12 Si15.29 -","- Al4.511 Eu0.4131 La3.1854 Li N27.2816 O2.1199 Si15.2921 -","- Al4.511 Eu0.4131 La3.1854 Li N27.2816 O2.1199 Si15.2921 -","1","0.166667","","Wang, Chun-Yun; Takeda, Takashi; Melvin Ten Kate, Otmar; Funahashi, Shiro; Xie, Rong-Jun; Takahashi, Kohsei; Hirosaki, Naoto","New Deep-Blue-Emitting Ce-Doped A<sub>4-<i>m</i></sub>B<sub> <i>n</i> </sub>C<sub>19+2<i>m</i></sub>X<sub>29+<i>m</i></sub> (A = Sr, La; B = Li; C = Si, Al; X = O, N; 0 ≤ <i>m</i> ≤ 1; 0 ≤ <i>n</i> ≤ 1) Phosphors for High-Color-Rendering Warm White Light-Emitting Diodes.","ACS applied materials & interfaces","2019","11","32","29047","29055","10.1021/acsami.9b09982","","","0.71073","MoKα","","0.0302","0.0282","","","","0.067","","","","","","1.044","","","","has coordinates","219656","2020-10-21","18:00:00",""
"4514468","12.1213","0.00011","12.1213","0.00011","4.89283","0.00005","90","","90","","120","","622.571","0.01","293","2","293","2","","","","","","","","6","P 3 m 1","P 3 -2""","156","","","","- Al6.03 Eu3.6 Li N22.59 O6.82 Si13.78 -","- Al6.0294 Eu3.5961 Li N22.5851 O6.8186 Si13.7782 -","- Al6.0294 Eu3.5961 Li N22.5851 O6.8186 Si13.7782 -","1","0.166667","","Wang, Chun-Yun; Takeda, Takashi; Melvin Ten Kate, Otmar; Funahashi, Shiro; Xie, Rong-Jun; Takahashi, Kohsei; Hirosaki, Naoto","New Deep-Blue-Emitting Ce-Doped A<sub>4-<i>m</i></sub>B<sub> <i>n</i> </sub>C<sub>19+2<i>m</i></sub>X<sub>29+<i>m</i></sub> (A = Sr, La; B = Li; C = Si, Al; X = O, N; 0 ≤ <i>m</i> ≤ 1; 0 ≤ <i>n</i> ≤ 1) Phosphors for High-Color-Rendering Warm White Light-Emitting Diodes.","ACS applied materials & interfaces","2019","11","32","29047","29055","10.1021/acsami.9b09982","","","0.71073","MoKα","","0.0151","0.0151","","","","0.0367","","","","","","1.118","","","","has coordinates","219657","2020-10-21","18:00:00",""
"4514469","9.5049","0.0008","10.4264","0.0009","14.3841","0.0012","89.746","0.002","88.922","0.002","68.263","0.001","1323.89","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 N2 O10 Tb -","- C21 H23 N2 O10 Tb -","- C42 H46 N4 O20 Tb2 -","2","1","","Mi, Xiuna; Sheng, Dafei; Yu, Yu'e; Wang, Yuhao; Zhao, Limin; Lu, Jing; Li, Yunwu; Li, Dacheng; Dou, Jianmin; Duan, Jingui; Wang, Suna","Tunable Light Emission and Multiresponsive Luminescent Sensitivities in Aqueous Solutions of Two Series of Lanthanide Metal-Organic Frameworks Based on Structurally Related Ligands.","ACS applied materials & interfaces","2019","11","8","7914","7926","10.1021/acsami.8b18320","","","0.71073","MoKα","","0.1159","0.1071","","","0.2821","0.2917","","","","","","1.226","","","","has coordinates","219658","2020-10-21","18:00:00",""
"4514470","9.2506","0.0008","10.1406","0.0009","13.9291","0.0011","89.775","0.002","88.899","0.002","68.115","0.001","1212.25","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 Gd N2 O10 -","- C21 H23 Gd N2 O10 -","- C42 H46 Gd2 N4 O20 -","2","1","","Mi, Xiuna; Sheng, Dafei; Yu, Yu'e; Wang, Yuhao; Zhao, Limin; Lu, Jing; Li, Yunwu; Li, Dacheng; Dou, Jianmin; Duan, Jingui; Wang, Suna","Tunable Light Emission and Multiresponsive Luminescent Sensitivities in Aqueous Solutions of Two Series of Lanthanide Metal-Organic Frameworks Based on Structurally Related Ligands.","ACS applied materials & interfaces","2019","11","8","7914","7926","10.1021/acsami.8b18320","","","0.71073","MoKα","","0.0549","0.0458","","","0.1129","0.1183","","","","","","0.986","","","","has coordinates","219659","2020-10-21","18:00:00",""
"4514471","24.491","0.004","13.587","0.002","14.903","0.003","90","","125.108","0.002","90","","4056.9","1.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 N O9 Tb -","- C19 H18 N O9 Tb -","- C152 H144 N8 O72 Tb8 -","8","1","","Mi, Xiuna; Sheng, Dafei; Yu, Yu'e; Wang, Yuhao; Zhao, Limin; Lu, Jing; Li, Yunwu; Li, Dacheng; Dou, Jianmin; Duan, Jingui; Wang, Suna","Tunable Light Emission and Multiresponsive Luminescent Sensitivities in Aqueous Solutions of Two Series of Lanthanide Metal-Organic Frameworks Based on Structurally Related Ligands.","ACS applied materials & interfaces","2019","11","8","7914","7926","10.1021/acsami.8b18320","","","0.71073","MoKα","","0.0476","0.0354","","","0.0933","0.1021","","","","","","1.083","","","","has coordinates,has disorder","219660","2020-10-21","18:00:00",""
"4514472","24.491","0.005","13.58","0.003","14.922","0.003","90","","124.998","0.002","90","","4065.4","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 Gd N O9 -","- C19 H18 Gd N O9 -","- C152 H144 Gd8 N8 O72 -","8","1","","Mi, Xiuna; Sheng, Dafei; Yu, Yu'e; Wang, Yuhao; Zhao, Limin; Lu, Jing; Li, Yunwu; Li, Dacheng; Dou, Jianmin; Duan, Jingui; Wang, Suna","Tunable Light Emission and Multiresponsive Luminescent Sensitivities in Aqueous Solutions of Two Series of Lanthanide Metal-Organic Frameworks Based on Structurally Related Ligands.","ACS applied materials & interfaces","2019","11","8","7914","7926","10.1021/acsami.8b18320","","","0.71073","MoKα","","0.0567","0.0401","","","0.1043","0.1149","","","","","","1.076","","","","has coordinates,has disorder","219661","2020-10-21","18:00:00",""
"4514473","9.3443","0.0008","10.2351","0.0009","14.062","0.0013","89.791","0.002","88.975","0.002","68.126","0.001","1247.86","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H23 Eu N2 O10 -","- C21 H23 Eu N2 O10 -","- C42 H46 Eu2 N4 O20 -","2","1","","Mi, Xiuna; Sheng, Dafei; Yu, Yu'e; Wang, Yuhao; Zhao, Limin; Lu, Jing; Li, Yunwu; Li, Dacheng; Dou, Jianmin; Duan, Jingui; Wang, Suna","Tunable Light Emission and Multiresponsive Luminescent Sensitivities in Aqueous Solutions of Two Series of Lanthanide Metal-Organic Frameworks Based on Structurally Related Ligands.","ACS applied materials & interfaces","2019","11","8","7914","7926","10.1021/acsami.8b18320","","","0.71073","MoKα","","0.1097","0.0797","","","0.1945","0.2149","","","","","","1.014","","","","has coordinates","219662","2020-10-21","18:00:00",""
"4514474","24.4269","0.0019","13.6018","0.0009","14.9262","0.001","90","","124.984","0.003","90","","4063.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H18 Eu N O9 -","- C19 H18 Eu N O9 -","- C152 H144 Eu8 N8 O72 -","8","1","","Mi, Xiuna; Sheng, Dafei; Yu, Yu'e; Wang, Yuhao; Zhao, Limin; Lu, Jing; Li, Yunwu; Li, Dacheng; Dou, Jianmin; Duan, Jingui; Wang, Suna","Tunable Light Emission and Multiresponsive Luminescent Sensitivities in Aqueous Solutions of Two Series of Lanthanide Metal-Organic Frameworks Based on Structurally Related Ligands.","ACS applied materials & interfaces","2019","11","8","7914","7926","10.1021/acsami.8b18320","","","0.71073","MoKα","","0.0808","0.0606","","","0.1618","0.2035","","","","","","1.089","","","","has coordinates,has disorder","219663","2020-10-21","18:00:00",""
"4514475","20.538","0.01","29.027","0.013","34.825","0.015","90","","90","","90","","20761","16","293","2","293","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C84 H57 Mn6 N6 O41 P6 -","- C84 H57 Mn6 N6 O41 P6 -","- C336 H228 Mn24 N24 O164 P24 -","4","0.5","","Li, Bao; Chen, Xi; Hu, Peng; Kirchon, Angelo; Zhao, Yu-Meng; Pang, Jiandong; Zhang, Tianle; Zhou, Hong-Cai","Facile Fabrication of a Multifunctional Metal-Organic Framework-based Sensor Exhibiting Exclusive Solvochromic Behaviors toward Ketone Molecules.","ACS applied materials & interfaces","2019","11","8","8227","8233","10.1021/acsami.8b19815","","","0.71073","MoKα","","0.1174","0.0933","","","0.2452","0.2677","","","","","","1.018","","","","has coordinates","219664","2020-10-21","18:00:00",""
"4514476","21.0921","0.0011","28.4208","0.0008","34.8069","0.0008","90","","90","","90","","20865.1","1.3","173","2","173","2","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C92 H66 Mn6 N6 O43 P6 -","- C92 H66 Mn6 N6 O43 P6 -","- C368 H264 Mn24 N24 O172 P24 -","4","0.5","","Li, Bao; Chen, Xi; Hu, Peng; Kirchon, Angelo; Zhao, Yu-Meng; Pang, Jiandong; Zhang, Tianle; Zhou, Hong-Cai","Facile Fabrication of a Multifunctional Metal-Organic Framework-based Sensor Exhibiting Exclusive Solvochromic Behaviors toward Ketone Molecules.","ACS applied materials & interfaces","2019","11","8","8227","8233","10.1021/acsami.8b19815","","","1.54178","CuKα","","0.1215","0.0722","","","0.1828","0.2024","","","","","","0.837","","","","has coordinates","219664","2020-10-21","18:00:00",""
"4514477","21.3046","0.0003","7.792","0.0001","20.9345","0.0002","90","","94.21","0.001","90","","3465.86","0.07","123.08","0.13","123.08","0.13","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H44 N2 O4 Pt2 S2 -","- C34 H44 N2 O4 Pt2 S2 -","- C136 H176 N8 O16 Pt8 S8 -","4","1","","Shafikov, Marsel Z.; Daniels, Ruth; Pander, Piotr; Dias, Fernando B.; Williams, J. A. Gareth; Kozhevnikov, Valery N.","Dinuclear Design of a Pt(II) Complex Affording Highly Efficient Red Emission: Photophysical Properties and Application in Solution-Processible OLEDs.","ACS applied materials & interfaces","2019","11","8","8182","8193","10.1021/acsami.8b18928","","x-ray","0.71073","MoKα","","0.0508","0.0335","","","0.0709","0.0803","","","","","","1.088","","","","has coordinates","219665","2020-10-21","18:00:00",""
"4514478","6.7975","0.0004","9.4394","0.0005","16.9641","0.0007","93.738","0.004","93.268","0.004","104.245","0.004","1049.77","0.1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 N4 S2 -","- C25 H18 N4 S2 -","- C50 H36 N8 S4 -","2","1","","Chen, Chia-Hsun; Ting, Hao-Chun; Li, Ya-Ze; Lo, Yuan-Chih; Sher, Pin-Hao; Wang, Juen-Kai; Chiu, Tien-Lung; Lin, Chi-Feng; Hsu, I-Sheng; Lee, Jiun-Haw; Liu, Shun-Wei; Wong, Ken-Tsung","New D-A-A-Configured Small-Molecule Donors for High-Efficiency Vacuum-Processed Organic Photovoltaics under Ambient Light.","ACS applied materials & interfaces","2019","11","8","8337","8349","10.1021/acsami.8b20415","","","1.54178","CuKα","","0.0449","0.0417","","","0.1186","0.1227","","","","","","1.028","","","","has coordinates","219666","2020-10-21","18:00:00",""
"4514479","11.1382","0.0016","17.768","0.003","21.868","0.003","90","","90.495","0.013","90","","4327.6","1.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 N4 O -","- C27 H20 N4 O -","- C216 H160 N32 O8 -","8","2","","Chen, Chia-Hsun; Ting, Hao-Chun; Li, Ya-Ze; Lo, Yuan-Chih; Sher, Pin-Hao; Wang, Juen-Kai; Chiu, Tien-Lung; Lin, Chi-Feng; Hsu, I-Sheng; Lee, Jiun-Haw; Liu, Shun-Wei; Wong, Ken-Tsung","New D-A-A-Configured Small-Molecule Donors for High-Efficiency Vacuum-Processed Organic Photovoltaics under Ambient Light.","ACS applied materials & interfaces","2019","11","8","8337","8349","10.1021/acsami.8b20415","","","0.71073","MoKα","","0.1487","0.0724","","","0.1492","0.1935","","","","","","1.003","","","","has coordinates","219667","2020-10-21","18:00:00",""
"4514480","10.2274","0.0004","12.2056","0.0005","17.6598","0.0008","93.504","0.004","91.057","0.004","97.838","0.003","2179.02","0.16","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H20 N4 S -","- C27 H20 N4 S -","- C108 H80 N16 S4 -","4","2","","Chen, Chia-Hsun; Ting, Hao-Chun; Li, Ya-Ze; Lo, Yuan-Chih; Sher, Pin-Hao; Wang, Juen-Kai; Chiu, Tien-Lung; Lin, Chi-Feng; Hsu, I-Sheng; Lee, Jiun-Haw; Liu, Shun-Wei; Wong, Ken-Tsung","New D-A-A-Configured Small-Molecule Donors for High-Efficiency Vacuum-Processed Organic Photovoltaics under Ambient Light.","ACS applied materials & interfaces","2019","11","8","8337","8349","10.1021/acsami.8b20415","","","1.54178","CuKα","","0.0576","0.0468","","","0.1311","0.1412","","","","","","1.033","","","","has coordinates","219668","2020-10-21","18:00:00",""
"4514481","6.9823","0.0005","9.2167","0.0005","16.928","0.0011","92.45","0.005","96.656","0.006","101.602","0.005","1057.48","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 N4 O S -","- C25 H18 N4 O S -","- C50 H36 N8 O2 S2 -","2","1","","Chen, Chia-Hsun; Ting, Hao-Chun; Li, Ya-Ze; Lo, Yuan-Chih; Sher, Pin-Hao; Wang, Juen-Kai; Chiu, Tien-Lung; Lin, Chi-Feng; Hsu, I-Sheng; Lee, Jiun-Haw; Liu, Shun-Wei; Wong, Ken-Tsung","New D-A-A-Configured Small-Molecule Donors for High-Efficiency Vacuum-Processed Organic Photovoltaics under Ambient Light.","ACS applied materials & interfaces","2019","11","8","8337","8349","10.1021/acsami.8b20415","","","1.54178","CuKα","","0.0601","0.0483","","","0.1285","0.1414","","","","","","1.023","","","","has coordinates","219669","2020-10-21","18:00:00",""
"4514482","14.6254","0.0009","16.0784","0.0008","16.8019","0.0011","90","","102.263","0.007","90","","3860.9","0.4","293","2","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H0.25 Br O5 Se -","- C44 H33 Br O3 Se -","- C176 H132 Br4 O12 Se4 -","4","1","","Cao, Jian; Liu, Qi-Ming; Bai, Si-Jie; Wang, Hua-Chun; Ren, Xiancheng; Xu, Yun-Xiang","Ladder-Type Dye with Large Transition Dipole Moment for Solvatochromism and Microphase Visualization.","ACS applied materials & interfaces","2019","11","33","29814","29820","10.1021/acsami.9b07677","","x-ray","0.71073","MoKα","","0.1374","0.0591","","","0.1278","0.1559","","","","","","1.008","","","","has coordinates","219670","2020-10-21","18:00:00",""
"4514483","7.549","0.002","16.219","0.004","33.295","0.009","90","","90","","90","","4076.5","1.8","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","bis(1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-ylideneselanyl)copper(III) chloride","","- C18 H20 Cl Cu N4 Se2 -","- C18 H20 Cl Cu N4 Se2 -","- C144 H160 Cl8 Cu8 N32 Se16 -","8","1","","Chalana, Ashish; Karri, Ramesh; Das, Ranajit; Kumar, Binayak; Rai, Rakesh Kumar; Saxena, Himani; Gupta, Ashish; Banerjee, Mainak; Jha, Kunal Kumar; Roy, Gouriprasanna","Copper-Driven Deselenization: A Strategy for Selective Conversion of Copper Ion to Nanozyme and Its Implication for Copper-Related Disorders.","ACS applied materials & interfaces","2019","11","5","4766","4776","10.1021/acsami.8b16786","","","0.71073","MoKα","","0.1561","0.0674","","","0.1174","0.1434","","","","","","1.044","","","","has coordinates","219671","2020-10-21","18:00:00",""
"4514484","12.79","0.004","7.664","0.002","14.298","0.004","90","","95.515","0.007","90","","1395","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N2 O2 Se -","- C13 H18 N2 O2 Se -","- C52 H72 N8 O8 Se4 -","4","1","","Chalana, Ashish; Karri, Ramesh; Das, Ranajit; Kumar, Binayak; Rai, Rakesh Kumar; Saxena, Himani; Gupta, Ashish; Banerjee, Mainak; Jha, Kunal Kumar; Roy, Gouriprasanna","Copper-Driven Deselenization: A Strategy for Selective Conversion of Copper Ion to Nanozyme and Its Implication for Copper-Related Disorders.","ACS applied materials & interfaces","2019","11","5","4766","4776","10.1021/acsami.8b16786","","","0.71073","MoKα","","0.078","0.0438","","","0.0977","0.1132","","","","","","1.068","","","","has coordinates,has disorder","219672","2020-10-21","18:00:00",""
"4514485","7.2756","0.0004","15.23","0.0007","10.5556","0.0006","90","","90","","90","","1169.64","0.11","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C11 H14 N2 O Se -","- C11 H14 N2 O Se -","- C44 H56 N8 O4 Se4 -","4","1","","Chalana, Ashish; Karri, Ramesh; Das, Ranajit; Kumar, Binayak; Rai, Rakesh Kumar; Saxena, Himani; Gupta, Ashish; Banerjee, Mainak; Jha, Kunal Kumar; Roy, Gouriprasanna","Copper-Driven Deselenization: A Strategy for Selective Conversion of Copper Ion to Nanozyme and Its Implication for Copper-Related Disorders.","ACS applied materials & interfaces","2019","11","5","4766","4776","10.1021/acsami.8b16786","","","0.71073","MoKα","","0.0734","0.0431","","","0.0906","0.1037","","","","","","1.004","","","","has coordinates","219673","2020-10-21","18:00:00",""
"4514486","9.1345","0.0007","16.4281","0.0012","8.2308","0.0007","90","","108.482","0.002","90","","1171.43","0.16","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 N2 O2 S -","- C11 H14 N2 O2 S -","- C44 H56 N8 O8 S4 -","4","0.5","","Chalana, Ashish; Karri, Ramesh; Das, Ranajit; Kumar, Binayak; Rai, Rakesh Kumar; Saxena, Himani; Gupta, Ashish; Banerjee, Mainak; Jha, Kunal Kumar; Roy, Gouriprasanna","Copper-Driven Deselenization: A Strategy for Selective Conversion of Copper Ion to Nanozyme and Its Implication for Copper-Related Disorders.","ACS applied materials & interfaces","2019","11","5","4766","4776","10.1021/acsami.8b16786","","","0.71073","MoKα","","0.0733","0.0455","","","0.1112","0.1267","","","","","","1.047","","","","has coordinates","219674","2020-10-21","18:00:00",""
"4514487","9.369","0.003","10.229","0.004","12.772","0.005","91.352","0.01","98.477","0.01","110.731","0.009","1128.4","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H24 Cl Cu N4 O2 Se2 -","- C20 H24 Cl Cu N4 O2 Se2 -","- C40 H48 Cl2 Cu2 N8 O4 Se4 -","2","1","","Chalana, Ashish; Karri, Ramesh; Das, Ranajit; Kumar, Binayak; Rai, Rakesh Kumar; Saxena, Himani; Gupta, Ashish; Banerjee, Mainak; Jha, Kunal Kumar; Roy, Gouriprasanna","Copper-Driven Deselenization: A Strategy for Selective Conversion of Copper Ion to Nanozyme and Its Implication for Copper-Related Disorders.","ACS applied materials & interfaces","2019","11","5","4766","4776","10.1021/acsami.8b16786","","","0.71073","MoKα","","0.1414","0.1227","","","0.3824","0.3953","","","","","","1.137","","","","has coordinates","219675","2020-10-21","18:00:00",""
"4514488","9.0796","0.0005","16.7307","0.0009","8.327","0.0004","90","","106.993","0.002","90","","1209.71","0.11","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H14 N2 O2 Se -","- C11 H14 N2 O2 Se -","- C44 H56 N8 O8 Se4 -","4","0.5","","Chalana, Ashish; Karri, Ramesh; Das, Ranajit; Kumar, Binayak; Rai, Rakesh Kumar; Saxena, Himani; Gupta, Ashish; Banerjee, Mainak; Jha, Kunal Kumar; Roy, Gouriprasanna","Copper-Driven Deselenization: A Strategy for Selective Conversion of Copper Ion to Nanozyme and Its Implication for Copper-Related Disorders.","ACS applied materials & interfaces","2019","11","5","4766","4776","10.1021/acsami.8b16786","","","0.71073","MoKα","","0.0548","0.0334","","","0.0815","0.0918","","","","","","1.03","","","","has coordinates","219676","2020-10-21","18:00:00",""
"4514489","8.4115","0.0006","8.968","0.0007","15.8989","0.0012","90.822","0.002","91.902","0.002","95.822","0.002","1192.29","0.15","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Cl4 Cu N4 Se2 -","- C18 H20 Cl4 Cu N4 Se2 -","- C36 H40 Cl8 Cu2 N8 Se4 -","2","1","","Chalana, Ashish; Karri, Ramesh; Das, Ranajit; Kumar, Binayak; Rai, Rakesh Kumar; Saxena, Himani; Gupta, Ashish; Banerjee, Mainak; Jha, Kunal Kumar; Roy, Gouriprasanna","Copper-Driven Deselenization: A Strategy for Selective Conversion of Copper Ion to Nanozyme and Its Implication for Copper-Related Disorders.","ACS applied materials & interfaces","2019","11","5","4766","4776","10.1021/acsami.8b16786","","","0.71073","MoKα","","0.032","0.0256","","","0.0559","0.0584","","","","","","1.045","","","","has coordinates","219677","2020-10-21","18:00:00",""
"4514490","7.4112","0.0008","9.1109","0.001","11.2644","0.0013","79.857","0.005","79.076","0.004","88.714","0.005","735.1","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H30 Cl4 Cu2 N4 O6 S2 -","- C22 H30 Cl4 Cu2 N4 O6 S2 -","- C22 H30 Cl4 Cu2 N4 O6 S2 -","1","0.5","","Chalana, Ashish; Karri, Ramesh; Das, Ranajit; Kumar, Binayak; Rai, Rakesh Kumar; Saxena, Himani; Gupta, Ashish; Banerjee, Mainak; Jha, Kunal Kumar; Roy, Gouriprasanna","Copper-Driven Deselenization: A Strategy for Selective Conversion of Copper Ion to Nanozyme and Its Implication for Copper-Related Disorders.","ACS applied materials & interfaces","2019","11","5","4766","4776","10.1021/acsami.8b16786","","","0.71073","MoKα","","0.0583","0.0423","","","0.1013","0.1099","","","","","","0.959","","","","has coordinates","219678","2020-10-21","18:00:00",""
"4514491","9.204","0.0009","9.5032","0.0011","11.03","0.0012","74.062","0.003","74.517","0.003","72.833","0.003","868.01","0.16","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N2 O2 -","- C22 H19 N2 O2 -","- C44 H38 N4 O4 -","2","1","","Zhuo, Ming-Peng; Fei, Xi-Yu; Tao, Yi-Chen; Fan, Jian; Wang, Xue-Dong; Xie, Wan-Feng; Liao, Liang-Sheng","In Situ Construction of One-Dimensional Component-Interchange Organic Core/Shell Microrods for Multicolor Continuous-Variable Optical Waveguide.","ACS applied materials & interfaces","2019","11","5","5298","5305","10.1021/acsami.8b22317","","","0.71073","MoKα","","0.1275","0.0935","","","0.2282","0.2569","","","","","","1.042","","","","has coordinates,has disorder","219679","2020-10-21","18:00:00",""
"4514492","10.3497","0.0014","10.3497","0.0014","10.3497","0.0014","90","","90","","90","","1108.6","0.3","296","2","296","2","","","","","","","","4","F m -3 m","-F 4 2 3","225","","","","- Cl6 Cs2 Na V -","- Cl6 Cs2 Na V -","- Cl24 Cs8 Na4 V4 -","4","0.0208333","","Cao, Xiangrong; Kang, Lei; Guo, Shaoxing; Zhang, Minggang; Lin, Zheshuai; Gao, Jianhua","Cs<sub>2</sub>NaVCl<sub>6</sub>: A Pb-Free Halide Double Perovskite with Strong Visible and Near-Infrared Light Absorption.","ACS applied materials & interfaces","2019","11","42","38648","38653","10.1021/acsami.9b11980","","","0.71073","MoKα","","0.0089","0.0089","","","0.0259","0.0259","","","","","","1.316","","","","has coordinates","273129","2022-02-23","10:11:36",""
"4514493","9.956","0.0004","28.6966","0.0011","12.1913","0.0004","90","","97.512","0.002","90","","3453.2","0.2","170","2","169.98","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H40 N2 O4 -","- C43 H40 N2 O4 -","- C172 H160 N8 O16 -","4","1","","Fang, Lingyi; Zheng, Aibin; Ren, Ming; Xie, Xinrui; Wang, Peng","Unraveling the Structure-Property Relationship of Molecular Hole-Transporting Materials for Perovskite Solar Cells.","ACS applied materials & interfaces","2019","11","42","39001","39009","10.1021/acsami.9b13189","","","0.71073","MoKα","","0.1343","0.0589","","","0.1116","0.1374","","","","","","1.003","","","","has coordinates","219681","2020-10-21","18:00:00",""
"4514494","12.8981","0.0005","14.2252","0.0005","14.3543","0.0006","105.562","0.001","102.057","0.001","115.755","0.001","2118.25","0.15","170","2","169.99","","","","","","","","","4","P -1","-P 1","2","","","","- C55 H48 N2 O4 -","- C55 H48 N2 O4 -","- C110 H96 N4 O8 -","2","1","","Fang, Lingyi; Zheng, Aibin; Ren, Ming; Xie, Xinrui; Wang, Peng","Unraveling the Structure-Property Relationship of Molecular Hole-Transporting Materials for Perovskite Solar Cells.","ACS applied materials & interfaces","2019","11","42","39001","39009","10.1021/acsami.9b13189","","","0.71073","MoKα","","0.0843","0.0602","","","0.1554","0.1763","","","","","","1.027","","","","has coordinates","219682","2020-10-21","18:00:00",""
"4514495","26.243","0.003","10.2462","0.0006","15.509","0.0012","90","","103.808","0.008","90","","4049.7","0.6","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H38 N2 O4 S3 -","- C48 H38 N2 O4 S3 -","- C192 H152 N8 O16 S12 -","4","0.5","","Fang, Lingyi; Zheng, Aibin; Ren, Ming; Xie, Xinrui; Wang, Peng","Unraveling the Structure-Property Relationship of Molecular Hole-Transporting Materials for Perovskite Solar Cells.","ACS applied materials & interfaces","2019","11","42","39001","39009","10.1021/acsami.9b13189","","","0.71073","MoKα","","0.0794","0.0497","","","0.1185","0.14","","","","","","1.021","","","","has coordinates","219683","2020-10-21","18:00:00",""
"4514496","21.114","0.002","21.114","","44.213","0.005","90","","90","","120","","17070","3","298","2","298","2","","","","","","","","8","R 3 :H","R 3","146","","","","- C126 H210 Cl4 K Na7 O154 Si W12 -","- C126 H201 Cl4 K Na7 O154 Si W12 -","- C378 H603 Cl12 K3 Na21 O462 Si3 W36 -","3","0.333333","","Ni, Lubin; Li, Huan; Xu, Hongjie; Shen, Chao; Liu, Ruzhang; Xie, Ju; Zhang, Fengmin; Chen, Chong; Zhao, Hongxia; Zuo, Tongfei; Diao, Guowang","Self-Assembled Supramolecular Polyoxometalate Hybrid Architecture as a Multifunctional Oxidation Catalyst.","ACS applied materials & interfaces","2019","11","42","38708","38718","10.1021/acsami.9b12531","","","0.71073","MoKα","","0.0393","0.0318","","","0.0878","0.0925","","","","","","1.026","","","","has coordinates","287896","2023-11-30","16:33:03",""
"4514497","24.0332","0.0005","23.8074","0.0005","34.8396","0.0008","90","","97.346","0.002","90","","19770.5","0.7","100","0.15","100","0.15","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C111 H69 N26 O19 Zn8 -","- C111 H69.0012 N26 O19.0006 Zn8.0006 -","- C444 H276.005 N104 O76.0024 Zn32.0024 -","4","0.5","","Bai, Jian-Ping; Huang, Yong-Liang; Xie, Mo; Zhao, Yifang; Luo, Dong; Li, Yan Yan; Lu, Weigang; Li, Dan","Reversible Multiphase Transition in a BioMOF and Its Distinctive Luminescence Turn-On in Alcohol Vapor.","ACS applied materials & interfaces","2019","11","42","38503","38509","10.1021/acsami.9b14121","","x-ray","1.54184","CuKα","","0.1079","0.0864","","","0.2396","0.2626","","","","","","1.01","","","","has coordinates,has disorder","219685","2020-10-21","18:00:00",""
"4514498","17.0241","0.0005","18.1149","0.0006","22.7218","0.0008","69.849","0.003","73.779","0.003","69.486","0.003","6060","0.4","99.99","0.14","99.99","0.14","","","","","","","","5","P -1","-P 1","2","","","","- C111 H63 N26 O18 Zn8 -","- C111 H63 N26 O18 Zn8 -","- C222 H126 N52 O36 Zn16 -","2","1","","Bai, Jian-Ping; Huang, Yong-Liang; Xie, Mo; Zhao, Yifang; Luo, Dong; Li, Yan Yan; Lu, Weigang; Li, Dan","Reversible Multiphase Transition in a BioMOF and Its Distinctive Luminescence Turn-On in Alcohol Vapor.","ACS applied materials & interfaces","2019","11","42","38503","38509","10.1021/acsami.9b14121","","x-ray","1.54184","CuKα","","0.1238","0.078","","","0.2063","0.2334","","","","","","0.973","","","","has coordinates,has disorder","219685","2020-10-21","18:00:00",""
"4514499","20.5074","0.0009","29.3383","0.0012","26.3661","0.0014","90","","106.383","0.005","90","","15219.1","1.3","99.99","0.14","99.99","0.14","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C111 H61 N26 O21 Zn8 -","- C111 H61 N26 O21 Zn8 -","- C444 H244 N104 O84 Zn32 -","4","1","","Bai, Jian-Ping; Huang, Yong-Liang; Xie, Mo; Zhao, Yifang; Luo, Dong; Li, Yan Yan; Lu, Weigang; Li, Dan","Reversible Multiphase Transition in a BioMOF and Its Distinctive Luminescence Turn-On in Alcohol Vapor.","ACS applied materials & interfaces","2019","11","42","38503","38509","10.1021/acsami.9b14121","","x-ray","1.54184","CuKα","","0.2302","0.1432","","","0.3601","0.4287","","","","","","1.109","","","","has coordinates","219685","2020-10-21","18:00:00",""
"4514500","7.9887","0.0015","8.5278","0.0016","15.021","0.003","97.619","0.002","100.389","0.002","108.692","0.002","933.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 Cd2 N8 O10 -","- C34 H32 Cd2 N8 O10 -","- C34 H32 Cd2 N8 O10 -","1","0.5","","Xing, Kai; Fan, Ruiqing; Gai, Shuang; Zheng, Xubin; Wang, Ping; Yang, Yulin","Europium-Functionalized Flexible Luminescent Zeolite-like Supramolecular Assembly for Ratiometric Anthrax Biomarker Determination.","ACS applied materials & interfaces","2019","11","39","36081","36089","10.1021/acsami.9b11650","","","0.71073","MoKα","","0.0438","0.0363","","","0.0964","0.1067","","","","","","1.092","","","","has coordinates","219687","2020-10-21","18:00:00",""
"4514501","9.178","0.003","19.687","0.007","12.828","0.005","90","","100.207","0.004","90","","2281.2","1.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H40 Cd2 N8 O16 -","- C46 H40 Cd2 N8 O16 -","- C92 H80 Cd4 N16 O32 -","2","0.5","","Xing, Kai; Fan, Ruiqing; Gai, Shuang; Zheng, Xubin; Wang, Ping; Yang, Yulin","Europium-Functionalized Flexible Luminescent Zeolite-like Supramolecular Assembly for Ratiometric Anthrax Biomarker Determination.","ACS applied materials & interfaces","2019","11","39","36081","36089","10.1021/acsami.9b11650","","","0.71073","MoKα","","0.0396","0.0299","","","0.0786","0.0835","","","","","","1.036","","","","has coordinates","219687","2020-10-21","18:00:00",""
"4514502","20.172","0.002","22.752","0.002","10.0747","0.0011","90","","94.561","0.002","90","","4609.2","0.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 Cd2 N8 O15 S -","- C36 H38 Cd2 N8 O15 S -","- C144 H152 Cd8 N32 O60 S4 -","4","0.5","","Xing, Kai; Fan, Ruiqing; Gai, Shuang; Zheng, Xubin; Wang, Ping; Yang, Yulin","Europium-Functionalized Flexible Luminescent Zeolite-like Supramolecular Assembly for Ratiometric Anthrax Biomarker Determination.","ACS applied materials & interfaces","2019","11","39","36081","36089","10.1021/acsami.9b11650","","","0.71073","MoKα","","0.0846","0.0495","","","0.1483","0.173","","","","","","1.11","","","","has coordinates","219687","2020-10-21","18:00:00",""
"4514503","5.5082","","5.4369","","7.7368","","90","","90.05","","90","","231.698","","293","","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Co La2 Mn O6 -","- Co La2 Mn O6 -","- Co2 La4 Mn2 O12 -","2","0.5","","Luo, Xinsheng; Bai, Langming; Xing, Jiajian; Zhu, Xuewu; Xu, Daliang; Xie, Binghan; Gan, Zhendong; Li, Guibai; Liang, Heng","Ordered Mesoporous Cobalt Containing Perovskite as a High-Performance Heterogeneous Catalyst in Activation of Peroxymonosulfate.","ACS applied materials & interfaces","2019","11","39","35720","35728","10.1021/acsami.9b11322","","","","","","","","","","","","","","","","","","","","","has coordinates","219688","2020-10-21","18:00:00",""
"4514504","10.0344","0.0007","17.3268","0.0009","11.3146","0.0007","90","","109.554","0.008","90","","1853.7","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H15 Lu N4 O10 -","- C15 H15 Lu N4 O10 -","- C60 H60 Lu4 N16 O40 -","4","1","","Han, Lin; Pham, Tony; Zhuo, Mingjing; Forrest, Katherine A.; Suepaul, Shanelle; Space, Brian; Zaworotko, Michael J.; Shi, Wei; Chen, Yao; Cheng, Peng; Zhang, Zhenjie","Molecular Sieving and Direct Visualization of CO<sub>2</sub> in Binding Pockets of an Ultramicroporous Lanthanide Metal-Organic Framework Platform.","ACS applied materials & interfaces","2019","11","26","23192","23197","10.1021/acsami.9b04619","","","0.71073","MoKα","","0.0516","0.043","","","0.1011","0.1103","","","","","","1.059","","","","has coordinates","219689","2020-10-21","18:00:00",""
"4514505","10.2658","0.0003","17.439","0.0005","11.4882","0.0003","90","","109.892","0.004","90","","1933.97","0.11","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H23 N7 Nd2 O19 -","- C27 H23 N7 Nd2 O19 -","- C54 H46 N14 Nd4 O38 -","2","0.5","","Han, Lin; Pham, Tony; Zhuo, Mingjing; Forrest, Katherine A.; Suepaul, Shanelle; Space, Brian; Zaworotko, Michael J.; Shi, Wei; Chen, Yao; Cheng, Peng; Zhang, Zhenjie","Molecular Sieving and Direct Visualization of CO<sub>2</sub> in Binding Pockets of an Ultramicroporous Lanthanide Metal-Organic Framework Platform.","ACS applied materials & interfaces","2019","11","26","23192","23197","10.1021/acsami.9b04619","","x-ray","0.71073","MoKα","","0.059","0.041","","","0.0986","0.1115","","","","","","1.104","","","","has coordinates","219690","2020-10-21","18:00:00",""
"4514506","10.3671","0.0006","17.2965","0.0006","11.4073","0.0006","90","","110.145","0.006","90","","1920.36","0.18","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12.75 H8 La N3 O10.5 -","- C12.75 H8 La N3 O10.5 -","- C51 H32 La4 N12 O42 -","4","1","","Han, Lin; Pham, Tony; Zhuo, Mingjing; Forrest, Katherine A.; Suepaul, Shanelle; Space, Brian; Zaworotko, Michael J.; Shi, Wei; Chen, Yao; Cheng, Peng; Zhang, Zhenjie","Molecular Sieving and Direct Visualization of CO<sub>2</sub> in Binding Pockets of an Ultramicroporous Lanthanide Metal-Organic Framework Platform.","ACS applied materials & interfaces","2019","11","26","23192","23197","10.1021/acsami.9b04619","","","0.71073","MoKα","","0.095","0.0557","","","0.1199","0.1421","","","","","","1.124","","","","has coordinates","219691","2020-10-21","18:00:00",""
"4514507","10.1657","0.0004","17.0733","0.0008","11.2076","0.0005","90","","109.154","0.005","90","","1837.53","0.15","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H7 Eu N3 O11 -","- C13 H7 Eu N3 O11 -","- C52 H28 Eu4 N12 O44 -","4","1","","Han, Lin; Pham, Tony; Zhuo, Mingjing; Forrest, Katherine A.; Suepaul, Shanelle; Space, Brian; Zaworotko, Michael J.; Shi, Wei; Chen, Yao; Cheng, Peng; Zhang, Zhenjie","Molecular Sieving and Direct Visualization of CO<sub>2</sub> in Binding Pockets of an Ultramicroporous Lanthanide Metal-Organic Framework Platform.","ACS applied materials & interfaces","2019","11","26","23192","23197","10.1021/acsami.9b04619","","","0.71073","MoKα","","0.0549","0.0402","","","0.0716","0.0803","","","","","","1.077","","","","has coordinates","219692","2020-10-21","18:00:00",""
"4514508","10.0313","0.0004","16.9997","0.0006","11.1179","0.0006","90","","109.019","0.005","90","","1792.43","0.15","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Lu N3 O11 -","- C13 H8 Lu N3 O11 -","- C52 H32 Lu4 N12 O44 -","4","1","","Han, Lin; Pham, Tony; Zhuo, Mingjing; Forrest, Katherine A.; Suepaul, Shanelle; Space, Brian; Zaworotko, Michael J.; Shi, Wei; Chen, Yao; Cheng, Peng; Zhang, Zhenjie","Molecular Sieving and Direct Visualization of CO<sub>2</sub> in Binding Pockets of an Ultramicroporous Lanthanide Metal-Organic Framework Platform.","ACS applied materials & interfaces","2019","11","26","23192","23197","10.1021/acsami.9b04619","","","0.71073","MoKα","","0.0548","0.0365","","","0.073","0.0843","","","","","","1.063","","","","has coordinates","219693","2020-10-21","18:00:00",""
"4514509","10.3667","0.0006","17.503","0.0005","11.4375","0.0005","90","","110.563","0.006","90","","1943.09","0.17","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H La N3 O9 -","- C12 H8 La N3 O9 -","- C48 H32 La4 N12 O36 -","4","1","","Han, Lin; Pham, Tony; Zhuo, Mingjing; Forrest, Katherine A.; Suepaul, Shanelle; Space, Brian; Zaworotko, Michael J.; Shi, Wei; Chen, Yao; Cheng, Peng; Zhang, Zhenjie","Molecular Sieving and Direct Visualization of CO<sub>2</sub> in Binding Pockets of an Ultramicroporous Lanthanide Metal-Organic Framework Platform.","ACS applied materials & interfaces","2019","11","26","23192","23197","10.1021/acsami.9b04619","","","0.71073","MoKα","","0.0808","0.0566","","","0.1143","0.1267","","","","","","1.126","","","","has coordinates","219694","2020-10-21","18:00:00",""
"4514510","10.2441","0.0004","17.1637","0.0005","11.2495","0.0003","90","","109.322","0.004","90","","1866.55","0.11","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12.75 H8 N3 Nd O10.5 -","- C12.75 H8 N3 Nd O10.5 -","- C51 H32 N12 Nd4 O42 -","4","1","","Han, Lin; Pham, Tony; Zhuo, Mingjing; Forrest, Katherine A.; Suepaul, Shanelle; Space, Brian; Zaworotko, Michael J.; Shi, Wei; Chen, Yao; Cheng, Peng; Zhang, Zhenjie","Molecular Sieving and Direct Visualization of CO<sub>2</sub> in Binding Pockets of an Ultramicroporous Lanthanide Metal-Organic Framework Platform.","ACS applied materials & interfaces","2019","11","26","23192","23197","10.1021/acsami.9b04619","","","0.71073","MoKα","","0.0655","0.0461","","","0.0901","0.1035","","","","","","1.105","","","","has coordinates","219695","2020-10-21","18:00:00",""
"4514511","10.0804","0.0003","16.9849","0.0004","11.1414","0.0004","90","","109.08","0.004","90","","1802.77","0.1","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 Dy N3 O11 -","- C13 H8 Dy N3 O11 -","- C52 H32 Dy4 N12 O44 -","4","1","","Han, Lin; Pham, Tony; Zhuo, Mingjing; Forrest, Katherine A.; Suepaul, Shanelle; Space, Brian; Zaworotko, Michael J.; Shi, Wei; Chen, Yao; Cheng, Peng; Zhang, Zhenjie","Molecular Sieving and Direct Visualization of CO<sub>2</sub> in Binding Pockets of an Ultramicroporous Lanthanide Metal-Organic Framework Platform.","ACS applied materials & interfaces","2019","11","26","23192","23197","10.1021/acsami.9b04619","","x-ray","0.71073","MoKα","","0.045","0.0323","","","0.059","0.0658","","","","","","1.066","","","","has coordinates","219696","2020-10-21","18:00:00",""
"4514512","6.43","0.0005","27.6956","0.0019","6.6958","0.0005","90","","115.348","0.002","90","","1077.61","0.14","200","2","200","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C19 H22 O17 Sr -","- C19 H22 O17 Sr -","- C38 H44 O34 Sr2 -","2","0.5","","Usman, Muhammad; Bera, Krishna Prasad; Haider, Golam; Sainbileg, Batjargal; Hayashi, Michitoshi; Lee, Gene-Hsiang; Peng, Shie-Ming; Chen, Yang-Fang; Lu, Kuang-Lieh","Single-Molecule-Based Electroluminescent Device as Future White Light Source.","ACS applied materials & interfaces","2019","11","4","4084","4092","10.1021/acsami.8b17107","","","0.71073","MoKα","","0.0677","0.0604","","","0.1513","0.1549","","","","","","1.166","","","","has coordinates","219697","2020-10-21","18:00:00",""
"4514513","29.191","0.0011","29.191","0.0011","12.9618","0.0007","90","","90","","120","","9565.2","0.7","298","2","298","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C153 H171 Cd3 N45 O54 -","- C144 H96 Cd3 N36 O30 -","- C288 H192 Cd6 N72 O60 -","2","0.0833333","","Han, Xue; Xu, Ya-Xin; Yang, Jin; Xu, Xianxiu; Li, Cheng-Peng; Ma, Jian-Fang","Metal-Assembled, Resorcin[4]arene-Based Molecular Trimer for Efficient Removal of Toxic Dichromate Pollutants and Knoevenagel Condensation Reaction.","ACS applied materials & interfaces","2019","11","17","15591","15597","10.1021/acsami.9b02068","","","0.71073","MoKα","","0.1431","0.0804","","","0.2409","0.2804","","","","","","1.031","","","","has coordinates","219698","2020-10-21","18:00:00",""
"4514514","3.7703","0.0002","27.5034","0.0016","29.3675","0.0016","90","","92.841","0.006","90","","3041.6","0.3","100","0.3","100","0.3","","","","","","","","3","I 1 2/m 1","-I 2y","12","","PFC-1","","- C44 H26 O8 -","- C44 H26 O8 -","- C88 H52 O16 -","2","0.25","","Yin, Qi; Li, Yu-Lin; Li, Lan; Lü, Jian; Liu, Tian-Fu; Cao, Rong","Novel Hierarchical Meso-Microporous Hydrogen-Bonded Organic Framework for Selective Separation of Acetylene and Ethylene versus Methane.","ACS applied materials & interfaces","2019","11","19","17823","17827","10.1021/acsami.9b03696","","x-ray","1.54184","CuKα","","0.0799","0.0549","","","0.175","0.1931","","","","","","1.056","","","","has coordinates","219699","2020-10-21","18:00:00",""
"4514515","7.1479","0.0006","26.071","0.003","30.737","0.003","90","","90","","90","","5727.9","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C40 H25 N3 O -","- C40 H25 N3 O -","- C320 H200 N24 O8 -","8","1","","Thangaraji, Vasudevan; Rajamalli, Pachaiyappan; Jayakumar, Jayachandran; Huang, Min-Jie; Chen, Yu-Wei; Cheng, Chien-Hong","Quinolinylmethanone-Based Thermally Activated Delayed Fluorescence Emitters and the Application in OLEDs: Effect of Intramolecular H-Bonding.","ACS applied materials & interfaces","2019","11","19","17128","17133","10.1021/acsami.8b22704","","","0.71073","MoKα","","0.1307","0.0566","","","0.1116","0.1408","","","","","","0.997","","","","has coordinates","219700","2020-10-21","18:00:00",""
"4514516","23.862","0.003","18.116","0.002","10.8546","0.0012","90","","95.756","0.004","90","","4668.6","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H57 N3 O -","- C56 H57 N3 O -","- C224 H228 N12 O4 -","4","1","","Thangaraji, Vasudevan; Rajamalli, Pachaiyappan; Jayakumar, Jayachandran; Huang, Min-Jie; Chen, Yu-Wei; Cheng, Chien-Hong","Quinolinylmethanone-Based Thermally Activated Delayed Fluorescence Emitters and the Application in OLEDs: Effect of Intramolecular H-Bonding.","ACS applied materials & interfaces","2019","11","19","17128","17133","10.1021/acsami.8b22704","","","0.71073","MoKα","","0.1227","0.0592","","","0.1109","0.1329","","","","","","1.002","","","","has coordinates","219701","2020-10-21","18:00:00",""
"4514517","11.8629","0.0016","24.594","0.004","31.441","0.005","90","","90","","90","","9173","2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C56 H57 N3 O -","- C56 H57 N3 O -","- C448 H456 N24 O8 -","8","2","","Thangaraji, Vasudevan; Rajamalli, Pachaiyappan; Jayakumar, Jayachandran; Huang, Min-Jie; Chen, Yu-Wei; Cheng, Chien-Hong","Quinolinylmethanone-Based Thermally Activated Delayed Fluorescence Emitters and the Application in OLEDs: Effect of Intramolecular H-Bonding.","ACS applied materials & interfaces","2019","11","19","17128","17133","10.1021/acsami.8b22704","","","0.71073","MoKα","","0.1245","0.0636","","","0.112","0.1356","","","","","","1.006","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4514518","14.2576","0.0013","11.3297","0.001","15.2584","0.0014","90","","94.826","0.009","90","","2456","0.4","293","2","298.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H36 Br5 Cu2 N3 -","- C12 H36 Br5 Cu2 N3 -","- C48 H144 Br20 Cu8 N12 -","4","0.5","","Chen, Shuqin; Gao, Jianmei; Chang, Junyu; Li, Yanqi; Huangfu, Changxin; Meng, Hu; Wang, Yu; Xia, Guangjie; Feng, Liang","Family of Highly Luminescent Pure Ionic Copper(I) Bromide Based Hybrid Materials.","ACS applied materials & interfaces","2019","11","19","17513","17520","10.1021/acsami.9b02418","","","0.71073","MoKα","","0.109","0.0639","","","0.1274","0.1583","","","","","","1.058","","","","has coordinates","219703","2020-10-21","18:00:00",""
"4514519","13.049","0.002","10.2073","0.0012","15.993","0.002","90","","92.305","0.015","90","","2128.5","0.5","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H36 Br2 Cu N -","- C16 H36 Br2 Cu N -","- C64 H144 Br8 Cu4 N4 -","4","0.5","","Chen, Shuqin; Gao, Jianmei; Chang, Junyu; Li, Yanqi; Huangfu, Changxin; Meng, Hu; Wang, Yu; Xia, Guangjie; Feng, Liang","Family of Highly Luminescent Pure Ionic Copper(I) Bromide Based Hybrid Materials.","ACS applied materials & interfaces","2019","11","19","17513","17520","10.1021/acsami.9b02418","","","0.71073","MoKα","","0.1091","0.048","","","0.0829","0.1012","","","","","","1.01","","","","has coordinates","219704","2020-10-21","18:00:00",""
"4514520","10.0193","0.0011","11.1991","0.0012","19.364","0.002","73.838","0.01","84.077","0.009","88.098","0.009","2075.7","0.4","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H60 Br6 Cu4 N2 -","- C26 H60 Br6 Cu4 N2 -","- C52 H120 Br12 Cu8 N4 -","2","1","","Chen, Shuqin; Gao, Jianmei; Chang, Junyu; Li, Yanqi; Huangfu, Changxin; Meng, Hu; Wang, Yu; Xia, Guangjie; Feng, Liang","Family of Highly Luminescent Pure Ionic Copper(I) Bromide Based Hybrid Materials.","ACS applied materials & interfaces","2019","11","19","17513","17520","10.1021/acsami.9b02418","","","0.71073","MoKα","","0.1911","0.0654","","","0.1312","0.1864","","","","","","0.936","","","","has coordinates","219705","2020-10-21","18:00:00",""
"4514521","8.9036","0.0011","7.5883","0.0014","13.0176","0.0013","90","","91.001","0.01","90","","879.4","0.2","293","2","293.15","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C12 H28 Br2 Cu N -","- C12 H28 Br2 Cu N -","- C24 H56 Br4 Cu2 N2 -","2","0.5","","Chen, Shuqin; Gao, Jianmei; Chang, Junyu; Li, Yanqi; Huangfu, Changxin; Meng, Hu; Wang, Yu; Xia, Guangjie; Feng, Liang","Family of Highly Luminescent Pure Ionic Copper(I) Bromide Based Hybrid Materials.","ACS applied materials & interfaces","2019","11","19","17513","17520","10.1021/acsami.9b02418","","","0.71073","MoKα","","0.1264","0.0586","","","0.13","0.1694","","","","","","1.023","","","","has coordinates","219706","2020-10-21","18:00:00",""
"4514522","8.3505","0.0008","13.7641","0.0013","11.0507","0.0011","90","","97.076","0.009","90","","1260.5","0.2","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Br2 Cu N -","- C8 H20 Br2 Cu N -","- C32 H80 Br8 Cu4 N4 -","4","1","","Chen, Shuqin; Gao, Jianmei; Chang, Junyu; Li, Yanqi; Huangfu, Changxin; Meng, Hu; Wang, Yu; Xia, Guangjie; Feng, Liang","Family of Highly Luminescent Pure Ionic Copper(I) Bromide Based Hybrid Materials.","ACS applied materials & interfaces","2019","11","19","17513","17520","10.1021/acsami.9b02418","","","0.71073","MoKα","","0.0859","0.048","","","0.108","0.1261","","","","","","1.04","","","","has coordinates","219707","2020-10-21","18:00:00",""
"4514523","8.2262","0.0014","8.2262","0.0014","8.2262","0.0014","90","","90","","90","","556.67","0.16","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Li Mn2 O4 -","- Li0.9693 Mn2.0307 O4 -","- Li7.7544 Mn16.2456 O32 -","8","0.0416667","","Xie, Yin; Jin, Yongcheng; Xiang, Lan","Tuning the Nanoarea Interfacial Properties for the Improved Performance of Li-Rich Polycrystalline Li-Mn-O Spinel.","ACS applied materials & interfaces","2019","11","16","14796","14802","10.1021/acsami.9b01651","","","","","","","","","","","","","","","","","","","","","has coordinates","219708","2020-10-21","18:00:00",""
"4514524","8.2324","","8.2324","","8.2324","","90","","90","","90","","557.93","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Li1.036 Mn1.964 O4 -","- Li1.071 Mn1.9468 O4 -","- Li8.568 Mn15.5744 O32 -","8","0.0416667","","Xie, Yin; Jin, Yongcheng; Xiang, Lan","Tuning the Nanoarea Interfacial Properties for the Improved Performance of Li-Rich Polycrystalline Li-Mn-O Spinel.","ACS applied materials & interfaces","2019","11","16","14796","14802","10.1021/acsami.9b01651","","","","","","","","","","","","","","","","","","","","","has coordinates","219709","2020-10-21","18:00:00",""
"4514525","8.1335","0.0008","8.1335","0.0008","8.1335","0.0008","90","","90","","90","","538.06","0.09","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Li1.37 Mn1.85 O4 -","- Li1.395 Mn1.782 O3.992 -","- Li11.16 Mn14.256 O31.936 -","8","0.0416667","","Xie, Yin; Jin, Yongcheng; Xiang, Lan","Tuning the Nanoarea Interfacial Properties for the Improved Performance of Li-Rich Polycrystalline Li-Mn-O Spinel.","ACS applied materials & interfaces","2019","11","16","14796","14802","10.1021/acsami.9b01651","","","","","","","","","","","","","","","","","","","","","has coordinates","219710","2020-10-21","18:00:00",""
"4514526","12.009","0.0006","14.2052","0.0008","15.3595","0.001","110.578","0.006","101.652","0.005","101.944","0.005","2289.4","0.3","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H38 N4 O2 -","- C36 H38 N4 O2 -","- C108 H114 N12 O6 -","3","1.5","","Wu, Jung-Tsu; Lin, Hsiang-Ting; Liou, Guey-Sheng","Synthesis and Characterization of Novel Triarylamine Derivatives with Dimethylamino Substituents for Application in Optoelectronic Devices.","ACS applied materials & interfaces","2019","11","16","14902","14908","10.1021/acsami.9b00402","","","0.71073","MoKα","","0.1453","0.086","","","0.2221","0.2536","","","","","","1.276","","","","has coordinates,has disorder","219711","2020-10-21","18:00:00",""
"4514527","11.0103","0.0009","15.2608","0.001","22.078","0.0016","87.653","0.006","84.603","0.006","70.838","0.007","3488.4","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H42 N4 O2 -","- C42 H42 N4 O2 -","- C168 H168 N16 O8 -","4","2","","Wu, Jung-Tsu; Lin, Hsiang-Ting; Liou, Guey-Sheng","Synthesis and Characterization of Novel Triarylamine Derivatives with Dimethylamino Substituents for Application in Optoelectronic Devices.","ACS applied materials & interfaces","2019","11","16","14902","14908","10.1021/acsami.9b00402","","","0.71073","MoKα","","0.1657","0.0959","","","0.2405","0.2746","","","","","","1.384","","","","has coordinates,has disorder","219712","2020-10-21","18:00:00",""
"4514528","20.896","0.0014","9.188","0.0006","12.12","0.0006","90","","96.406","0.006","90","","2312.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H21 Fe N4 O4 -","- C28 H21 Fe N4 O4 -","- C112 H84 Fe4 N16 O16 -","4","1","","Chen, Gui; Lan, Hai-Hang; Cai, Song-Liang; Sun, Bing; Li, Xin-Le; He, Zi-Hao; Zheng, Sheng-Run; Fan, Jun; Liu, Yi; Zhang, Wei-Guang","Stable Hydrazone-Linked Covalent Organic Frameworks Containing O,N,O'-Chelating Sites for Fe(III) Detection in Water.","ACS applied materials & interfaces","2019","11","13","12830","12837","10.1021/acsami.9b02640","","","0.71073","MoKα","","0.0989","0.0812","","","0.2044","0.2168","","","","","","1.16","","","","has coordinates","219713","2020-10-21","18:00:00",""
"4514529","18.5315","0.0014","11.0275","0.0007","17.8799","0.0015","90","","93.856","0.005","90","","3645.6","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H54 B F2 N3 O5 -","- C37 H54 B F2 N3 O5 -","- C148 H216 B4 F8 N12 O20 -","4","1","","Wang, Xinyue; Anton, Nicolas; Ashokkumar, Pichandi; Anton, Halina; Fam, Tkhe Kyong; Vandamme, Thierry; Klymchenko, Andrey S.; Collot, Mayeul","Optimizing the Fluorescence Properties of Nanoemulsions for Single Particle Tracking in Live Cells.","ACS applied materials & interfaces","2019","11","14","13079","13090","10.1021/acsami.8b22297","","","1.54178","CuKα","","0.2047","0.1278","","","0.3441","0.4023","","","","","","1.045","","","","has coordinates","219714","2020-10-21","18:00:00",""
"4514530","14.412","0.005","21.469","0.005","35.264","0.005","90","","90","","90","","10911","5","100","2","100","2","","","","","","","","5","C c c m","-C 2 2c","66","","","","- C90 H78 Co5 N4 O34 -","- C90 H78 Co5 N4 O34 -","- C360 H312 Co20 N16 O136 -","4","0.25","","Natarajan, Kaushik; Gupta, Anoop K.; Ansari, Shagufi Naz; Saraf, Mohit; Mobin, Shaikh M.","Mixed-Ligand-Architected 2D Co(II)-MOF Expressing a Novel Topology for an Efficient Photoanode for Water Oxidation Using Visible Light.","ACS applied materials & interfaces","2019","11","14","13295","13303","10.1021/acsami.9b01754","","","0.71069","MoKα","","0.1009","0.0685","","","0.1611","0.1833","","","","","","1.072","","","","has coordinates","219715","2020-10-21","18:00:00",""
"4514531","10.6178","0.0019","13.052","0.002","13.211","0.003","116.585","0.003","106.062","0.003","95.673","0.003","1519.6","0.5","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H40 F12 N8 O6 P2 Re2 -","- C64 H40 F12 N8 O6 P2 Re2 -","- C64 H40 F12 N8 O6 P2 Re2 -","1","0.5","","Wang, Fang-Xin; Liang, Jin-Hao; Zhang, Hang; Wang, Ze-Hua; Wan, Qin; Tan, Cai-Ping; Ji, Liang-Nian; Mao, Zong-Wan","Mitochondria-Accumulating Rhenium(I) Tricarbonyl Complexes Induce Cell Death via Irreversible Oxidative Stress and Glutathione Metabolism Disturbance.","ACS applied materials & interfaces","2019","11","14","13123","13133","10.1021/acsami.9b01057","","","0.71073","MoKα","","0.0462","0.0399","","","0.0935","0.0966","","","","","","1.093","","","","has coordinates","219716","2020-10-21","18:00:00",""
"4514532","10.4734","0.0008","11.0967","0.0009","18.1385","0.0014","100.647","0.001","92.198","0.001","99.525","0.001","2038","0.3","210","2","210","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H40 Br2 N2 O Pt Si2 -","- C40 H40 Br2 N2 O Pt Si2 -","- C80 H80 Br4 N4 O2 Pt2 Si4 -","2","1","","Kang, Jiajia; Ni, Jun; Su, Mengmeng; Li, Yanqin; Zhang, Jianjun; Zhou, Huajun; Chen, Zhong-Ning","Facile and Equipment-Free Data Encryption and Decryption by Self-Encrypting Pt(II) Complex.","ACS applied materials & interfaces","2019","11","14","13350","13358","10.1021/acsami.8b21221","","","0.71073","MoKα","","0.0381","0.0322","","","0.0776","0.0805","","","","","","1.036","","","","has coordinates","219717","2020-10-21","18:00:00",""
"4514533","10.0931","0.0003","11.0561","0.0003","17.8751","0.0004","99.897","0.001","94.373","0.002","101.464","0.002","1913.17","0.09","220","2","220","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H38 Br2 N2 O Pt Si2 -","- C39 H38 Br2 N2 O Pt Si2 -","- C78 H76 Br4 N4 O2 Pt2 Si4 -","2","1","","Kang, Jiajia; Ni, Jun; Su, Mengmeng; Li, Yanqin; Zhang, Jianjun; Zhou, Huajun; Chen, Zhong-Ning","Facile and Equipment-Free Data Encryption and Decryption by Self-Encrypting Pt(II) Complex.","ACS applied materials & interfaces","2019","11","14","13350","13358","10.1021/acsami.8b21221","","","0.71073","MoKα","","0.0456","0.0355","","","0.077","0.0824","","","","","","1.023","","","","has coordinates","219718","2020-10-21","18:00:00",""
"4514534","13.744","0.0004","14.0426","0.0004","19.9366","0.0006","98.91","0.002","91.715","0.002","98.739","0.002","3751.6","0.19","210","2","210","2","","","","","","","","7","P -1","-P 1","2","","","","- C73 H65 Br4 Cl3 N4 Pt2 Si4 -","- C73 H64 Br4 Cl3 N4 Pt2 Si4 -","- C146 H128 Br8 Cl6 N8 Pt4 Si8 -","2","1","","Kang, Jiajia; Ni, Jun; Su, Mengmeng; Li, Yanqin; Zhang, Jianjun; Zhou, Huajun; Chen, Zhong-Ning","Facile and Equipment-Free Data Encryption and Decryption by Self-Encrypting Pt(II) Complex.","ACS applied materials & interfaces","2019","11","14","13350","13358","10.1021/acsami.8b21221","","","0.71073","MoKα","","0.06","0.0396","","","0.0819","0.09","","","","","","1.014","","","","has coordinates,has disorder","219719","2020-10-21","18:00:00",""
"4514535","20.246","0.003","13.133","0.002","15.066","0.003","90","","97.005","0.009","90","","3976","1.2","210","2","210","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H34 Br2 Cl N2 Pt Si2 -","- C37 H34 Br2 Cl N2 Pt Si2 -","- C148 H136 Br8 Cl4 N8 Pt4 Si8 -","4","1","","Kang, Jiajia; Ni, Jun; Su, Mengmeng; Li, Yanqin; Zhang, Jianjun; Zhou, Huajun; Chen, Zhong-Ning","Facile and Equipment-Free Data Encryption and Decryption by Self-Encrypting Pt(II) Complex.","ACS applied materials & interfaces","2019","11","14","13350","13358","10.1021/acsami.8b21221","","","0.71073","MoKα","","0.0453","0.0314","","","0.0836","0.0882","","","","","","1.003","","","","has coordinates","219720","2020-10-21","18:00:00",""
"4514536","13.8989","0.0006","31.7505","0.0013","21.7148","0.0012","90","","121.689","0.003","90","","8154","0.7","210","2","210","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C80 H80 Br4 N4 O2 Pt2 Si4 -","- C80 H80 Br4 N4 O2 Pt2 Si4 -","- C320 H320 Br16 N16 O8 Pt8 Si16 -","4","1","","Kang, Jiajia; Ni, Jun; Su, Mengmeng; Li, Yanqin; Zhang, Jianjun; Zhou, Huajun; Chen, Zhong-Ning","Facile and Equipment-Free Data Encryption and Decryption by Self-Encrypting Pt(II) Complex.","ACS applied materials & interfaces","2019","11","14","13350","13358","10.1021/acsami.8b21221","","","0.71073","MoKα","","0.1425","0.064","","","0.1255","0.1546","","","","","","1.002","","","","has coordinates,has disorder","219721","2020-10-21","18:00:00",""
"4514537","19.9417","0.0003","13.4799","0.0002","27.817","0.0004","90","","99.017","0.001","90","","7385.14","0.19","210","2","210","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75.5 H68 Br4 N4 Pt2 Si4 -","- C75.5 H66.269 Br3.9994 N4 Pt2 Si4 -","- C302 H265.076 Br15.9976 N16 Pt8 Si16 -","4","1","","Kang, Jiajia; Ni, Jun; Su, Mengmeng; Li, Yanqin; Zhang, Jianjun; Zhou, Huajun; Chen, Zhong-Ning","Facile and Equipment-Free Data Encryption and Decryption by Self-Encrypting Pt(II) Complex.","ACS applied materials & interfaces","2019","11","14","13350","13358","10.1021/acsami.8b21221","","","0.71073","MoKα","","0.0711","0.0487","","","0.1034","0.1139","","","","","","1.021","","","","has coordinates,has disorder","219722","2020-10-21","18:00:00",""
"4514538","7.2194","0.0002","16.1521","0.0004","18.698","0.0005","108.926","0.002","99.381","0.002","94.409","0.002","2015.13","0.1","210","2","210","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H40 Br2 N2 Pt Si2 -","- C43 H40 Br2 N2 Pt Si2 -","- C86 H80 Br4 N4 Pt2 Si4 -","2","1","","Kang, Jiajia; Ni, Jun; Su, Mengmeng; Li, Yanqin; Zhang, Jianjun; Zhou, Huajun; Chen, Zhong-Ning","Facile and Equipment-Free Data Encryption and Decryption by Self-Encrypting Pt(II) Complex.","ACS applied materials & interfaces","2019","11","14","13350","13358","10.1021/acsami.8b21221","","","0.71073","MoKα","","0.0434","0.0353","","","0.0863","0.0905","","","","","","1.028","","","","has coordinates","219723","2020-10-21","18:00:00",""
"4514539","13.8249","0.0018","14.5831","0.0019","20.362","0.003","75.309","0.002","80.795","0.002","67.378","0.002","3656.5","0.9","210","2","210","2","","","","","","","","7","P -1","-P 1","2","","","","- C36.5 H33 Br2 Cl N2 Pt Si2 -","- C36.5 H33 Br2 Cl N2 Pt Si2 -","- C146 H132 Br8 Cl4 N8 Pt4 Si8 -","4","2","","Kang, Jiajia; Ni, Jun; Su, Mengmeng; Li, Yanqin; Zhang, Jianjun; Zhou, Huajun; Chen, Zhong-Ning","Facile and Equipment-Free Data Encryption and Decryption by Self-Encrypting Pt(II) Complex.","ACS applied materials & interfaces","2019","11","14","13350","13358","10.1021/acsami.8b21221","","","0.71073","MoKα","","0.0491","0.0355","","","0.0799","0.0866","","","","","","1.013","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4514540","11.9687","0.0014","13.8385","0.0017","12.4508","0.0015","90","","97.881","0.002","90","","2042.7","0.4","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H15 Mo12 N6 O40 P -","- C9 H15 Mo12 N6 O40 P -","- C18 H30 Mo24 N12 O80 P2 -","2","0.5","","Liu, Wen-Jing; Dong, Long-Zhang; Li, Run-Han; Chen, Yong-Jun; Sun, Sheng-Nan; Li, Shun-Li; Lan, Ya-Qian","Different Protonic Species Affecting Proton Conductivity in Hollow Spherelike Polyoxometalates.","ACS applied materials & interfaces","2019","11","7","7030","7036","10.1021/acsami.8b20509","","","0.71073","MoKα","","0.1005","0.098","","","0.2072","0.2083","","","","","","1.286","","","","has coordinates,has disorder","219725","2020-10-21","18:00:00",""
"4514541","30.83","0.003","8.2576","0.0008","24.308","0.003","90","","108.745","0.002","90","","5860.1","1.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 N2 O5 -","- C22 H22 N2 O5 -","- C264 H264 N24 O60 -","12","3","","Yuan, Ying-Xue; Zheng, Yan-Song","New Acylhydrazone Photoswitches with Quantitative Conversion and High Quantum Yield but without Hydrogen Bond Stabilizing ( Z)-Isomer.","ACS applied materials & interfaces","2019","11","7","7303","7310","10.1021/acsami.8b21719","","","0.71073","MoKα","","0.116","0.0524","","","0.1065","0.128","","","","","","0.943","","","","has coordinates","219726","2020-10-21","18:00:00",""
"4514542","8.1403","0.0012","8.465","0.0012","14.778","0.003","73.936","0.012","80.864","0.013","73.952","0.012","936.7","0.3","128","2","128.15","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N2 O5 -","- C22 H22 N2 O5 -","- C44 H44 N4 O10 -","2","1","","Yuan, Ying-Xue; Zheng, Yan-Song","New Acylhydrazone Photoswitches with Quantitative Conversion and High Quantum Yield but without Hydrogen Bond Stabilizing ( Z)-Isomer.","ACS applied materials & interfaces","2019","11","7","7303","7310","10.1021/acsami.8b21719","","","0.71073","MoKα","","0.0484","0.044","","","0.1238","0.1268","","","","","","1.056","","","","has coordinates","219727","2020-10-21","18:00:00",""
"4514543","16.1766","0.0011","30.685","0.002","38.766","0.003","107.332","0.001","95.731","0.001","100.093","0.001","17846","2","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H34 F6 Ir N3 P2 S2 -","- C48 H34 F6 Ir N3 P2 S2 -","- C768 H544 F96 Ir16 N48 P32 S32 -","16","8","","Liang, Xiao; Zhang, Feng; Yan, Zhi-Ping; Wu, Zheng-Guang; Zheng, Youxuan; Cheng, Gang; Wang, Yi; Zuo, Jing-Lin; Pan, Yi; Che, Chi-Ming","Fast Synthesis of Iridium(III) Complexes Incorporating a Bis(diphenylphorothioyl)amide Ligand for Efficient Pure Green OLEDs.","ACS applied materials & interfaces","2019","11","7","7184","7191","10.1021/acsami.8b19318","","","0.71073","MoKα","","0.0935","0.0592","","","0.1538","0.1931","","","","","","1.041","","","","has coordinates","219728","2020-10-21","18:00:00",""
"4514544","26.133","0.004","26.133","0.004","6.639","0.0013","90","","90","","120","","3926.6","1.1","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H9 Co O5 -","- C6 H9 Co O5 -","- C108 H162 Co18 O90 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.0276","0.0268","","","0.0747","0.0752","","","","","","1.054","","","","has coordinates","219729","2020-10-21","18:00:00",""
"4514545","25.839","0.004","25.839","0.004","6.893","0.0014","90","","90","","120","","3985.6","1.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5.6 H Mg O6.2 -","- C5.6 H Mg O6.2 -","- C100.8 H18 Mg18 O111.6 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.1166","0.1063","","","0.2581","0.2752","","","","","","1.193","","","","has coordinates","219730","2020-10-21","18:00:00",""
"4514546","25.88","0.004","25.88","0.004","6.695","0.0013","90","","90","","120","","3883.4","1.1","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5.84 H Ni O6.68 -","- C5.84 H Ni O6.68 -","- C105.12 H18 Ni18 O120.24 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.1233","0.1007","","","0.2583","0.2797","","","","","","1.165","","","","has coordinates","219731","2020-10-21","18:00:00",""
"4514547","25.844","0.004","25.844","0.004","6.871","0.0014","90","","90","","120","","3974.4","1.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5.56 H Co O4.56 -","- C5.56 H Co O4.56 -","- C100.08 H18 Co18 O82.08 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.0636","0.0604","","","0.1629","0.1676","","","","","","1.051","","","","has coordinates","219732","2020-10-21","18:00:00",""
"4514548","25.897","0.004","25.897","0.004","6.839","0.0014","90","","90","","120","","3972.1","1.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5.67 H Co O6.34 -","- C5.67 H Co O6.34 -","- C102.06 H18 Co18 O114.12 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.0466","0.0452","","","0.1386","0.1403","","","","","","1.089","","","","has coordinates","219733","2020-10-21","18:00:00",""
"4514549","26.07","0.004","26.07","0.004","13.521","0.003","90","","90","","120","","7958","2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C14 H20.33 Co2 O12.33 -","- C14 H20 Co2 O12.1666 -","- C252 H360 Co36 O218.999 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.0634","0.0581","","","0.1566","0.1637","","","","","","1.108","","","","has coordinates,has disorder","219734","2020-10-21","18:00:00",""
"4514550","25.871","0.004","25.871","0.004","13.5","0.003","90","","90","","120","","7825","2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C14 H20.33 Ni2 O12.17 -","- C14 H20 Ni2 O12.1667 -","- C252 H360 Ni36 O219 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.1094","0.0973","","","0.2932","0.3197","","","","","","1.247","","","","has coordinates","219735","2020-10-21","18:00:00",""
"4514551","25.899","0.004","25.899","0.004","6.635","0.0013","90","","90","","120","","3854.2","1.1","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H9 Ni O5 -","- C6 H9 Ni O5 -","- C108 H162 Ni18 O90 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.0586","0.0564","","","0.1775","0.1812","","","","","","1.13","","","","has coordinates","219736","2020-10-21","18:00:00",""
"4514552","26.023","0.004","26.023","0.004","6.6525","0.0013","90","","90","","120","","3901.5","1.1","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C6 H9 Mg O5 -","- C6 H9 Mg O5 -","- C108 H162 Mg18 O90 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.0617","0.0598","","","0.1639","0.1654","","","","","","1.103","","","","has coordinates","219737","2020-10-21","18:00:00",""
"4514553","25.822","0.004","25.822","0.004","6.935","0.0014","90","","90","","120","","4004.6","1.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5.56 H Mg O4.56 -","- C5.562 H Mg O4.562 -","- C100.116 H18 Mg18 O82.116 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.0499","0.0482","","","0.1431","0.1472","","","","","","0.838","","","","has coordinates","219738","2020-10-21","18:00:00",""
"4514554","25.951","0.004","25.951","0.004","13.632","0.003","90","","90","","120","","7951","2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C14 H20.33 Mg2 O12.33 -","- C14 H20 Mg2 O12.1666 -","- C252 H360 Mg36 O218.999 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.091","0.0838","","","0.2288","0.2386","","","","","","1.038","","","","has coordinates,has disorder","219739","2020-10-21","18:00:00",""
"4514555","26.15","0.004","26.15","0.004","6.721","0.0013","90","","90","","120","","3980.2","1.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C5.98 H Ni O4.98 -","- C5.98 H Ni O4.98 -","- C107.64 H18 Ni18 O89.64 -","18","1","","Kim, Hyunuk; Sohail, Muhammad; Yim, Kanghoon; Park, Young Cheol; Chun, Dong Hyuk; Kim, Hak Joo; Han, Seong Ok; Moon, Jong-Ho","Effective CO<sub>2</sub> and CO Separation Using [M<sub>2</sub>(DOBDC)] (M = Mg, Co, Ni) with Unsaturated Metal Sites and Excavation of Their Adsorption Sites.","ACS applied materials & interfaces","2019","11","7","7014","7021","10.1021/acsami.8b20450","","","0.7","synchrotron","","0.0701","0.0656","","","0.1969","0.2081","","","","","","1.078","","","","has coordinates","219740","2020-10-21","18:00:00",""
"4514556","16.661","0.003","13.734","0.002","16.996","0.003","90","","90.046","0.005","90","","3889.1","1.1","150","2","150","","","","","","","","","8","P 1 2/n 1","-P 2yac","13","","","","- C35 H35 Br F6 N4 O4 P Re -","- C35 H35 Br F6 N4 O4 P Re -","- C140 H140 Br4 F24 N16 O16 P4 Re4 -","4","1","","Liu, Chuangjun; Zhou, Lihua; Wei, Fangfang; Li, Ling; Zhao, Shunan; Gong, Ping; Cai, Lintao; Wong, Keith Man-Chung","Versatile Strategy To Generate a Rhodamine Triplet State as Mitochondria-Targeting Visible-Light Photosensitizers for Efficient Photodynamic Therapy.","ACS applied materials & interfaces","2019","11","9","8797","8806","10.1021/acsami.8b20224","","","0.71073","MoKα","","0.1665","0.1221","","","0.2666","0.2911","","","","","","1.133","","","","has coordinates,has disorder","219741","2020-10-21","18:00:00",""
"4514557","11.3756","0.0001","10.2107","0.0002","20.8874","0.0003","90","","91.868","0.001","90","","2424.84","0.06","100.2","0.7","100.2","0.7","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C35 H25 N3 -","- C35 H25 N3 -","- C140 H100 N12 -","4","1","","Hu, Shimin; Zeng, Jiajie; Zhu, Xiangyu; Guo, Jingjing; Chen, Shuming; Zhao, Zujin; Tang, Ben Zhong","Universal Bipolar Host Materials for Blue, Green, and Red Phosphorescent OLEDs with Excellent Efficiencies and Small-Efficiency Roll-Off.","ACS applied materials & interfaces","2019","11","30","27134","27144","10.1021/acsami.9b06995","","x-ray","1.54184","CuKα","","0.0386","0.0358","","","0.089","0.091","","","","","","1.036","","","","has coordinates","219742","2020-10-21","18:00:00",""
"4514558","10.5987","0.0002","19.9171","0.0004","12.7408","0.0003","90","","102.209","0.002","90","","2628.69","0.1","100","0.6","100","0.6","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C37 H29 N3 -","- C37 H29 N3 -","- C148 H116 N12 -","4","0.5","","Hu, Shimin; Zeng, Jiajie; Zhu, Xiangyu; Guo, Jingjing; Chen, Shuming; Zhao, Zujin; Tang, Ben Zhong","Universal Bipolar Host Materials for Blue, Green, and Red Phosphorescent OLEDs with Excellent Efficiencies and Small-Efficiency Roll-Off.","ACS applied materials & interfaces","2019","11","30","27134","27144","10.1021/acsami.9b06995","","x-ray","1.54184","CuKα","","0.0545","0.0522","","","0.1375","0.1397","","","","","","1.039","","","","has coordinates","219743","2020-10-21","18:00:00",""
"4514559","36.7326","0.0016","7.4035","0.0003","12.5047","0.0006","90","","90","","90","","3400.7","0.3","120","","120","","","","","","","","","5","C m c 21","C 2c -2","36","","3,6-Bis(9,9-dimethyl-acridin-10-yl)-9,9-dimethylthioxanthene-S,S-dioxide","","- C45 H40 N2 O2 S -","- C45 H40 N2 O2 S -","- C180 H160 N8 O8 S4 -","4","0.5","","Stachelek, Patrycja; Ward, Jonathan S.; Dos Santos, Paloma L.; Danos, Andrew; Colella, Marco; Haase, Nils; Raynes, Samuel J.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P.","Molecular Design Strategies for Color Tuning of Blue TADF Emitters.","ACS applied materials & interfaces","2019","11","30","27125","27133","10.1021/acsami.9b06364","","x-ray","0.71073","MoKα","","0.0593","0.051","","","0.1253","0.1308","","","","","","1.02","","","","has coordinates","219744","2020-10-21","18:00:00",""
"4514560","39.982","0.003","12.854","0.0011","16.9651","0.0014","90","","99.835","0.003","90","","8590.7","1.2","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","2,7-bis(9,9-dimethyl-acridin-10-yl)-3,6,9,9-tetramethylthioxanthene-S,S-dioxide","","- C48.75 H44 Cl3.5 D3.5 N2 O2 S -","- C48 H44 Cl2 D2 N2 O2 S -","- C384 H352 Cl16 D16 N16 O16 S8 -","8","1","","Stachelek, Patrycja; Ward, Jonathan S.; Dos Santos, Paloma L.; Danos, Andrew; Colella, Marco; Haase, Nils; Raynes, Samuel J.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P.","Molecular Design Strategies for Color Tuning of Blue TADF Emitters.","ACS applied materials & interfaces","2019","11","30","27125","27133","10.1021/acsami.9b06364","","x-ray","0.71073","MoKα","","0.0776","0.0581","","","0.1374","0.1485","","","","","","1.046","","","","has coordinates,has disorder","219745","2020-10-21","18:00:00",""
"4514561","18.272","0.001","12.9436","0.0008","17.0277","0.0007","90","","100.118","0.003","90","","3964.5","0.4","120","","120","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","2,7-bis(9,9-dimethyl-acridin-10-yl)-3,6,9,9-tetramethylthioxanthene-S,S-dioxide","","- C47.75 H45.5 Cl1.5 N2 O2 S -","- C47 H44 N2 O2 S -","- C188 H176 N8 O8 S4 -","4","1","","Stachelek, Patrycja; Ward, Jonathan S.; Dos Santos, Paloma L.; Danos, Andrew; Colella, Marco; Haase, Nils; Raynes, Samuel J.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P.","Molecular Design Strategies for Color Tuning of Blue TADF Emitters.","ACS applied materials & interfaces","2019","11","30","27125","27133","10.1021/acsami.9b06364","","x-ray","1.54184","CuKα","","0.1051","0.0754","","","0.1793","0.1963","","","","","","1.048","","","","has coordinates","219746","2020-10-21","18:00:00",""
"4514562","10.6162","0.0008","12.9637","0.0009","18.945","0.0013","81.349","0.002","77.499","0.003","70.604","0.002","2392.3","0.3","120","","120","","","","","","","","","5","P -1","-P 1","2","","2,7-Bis(2,7,9,9-tetramethyl-acridin-10-yl)-9,9-dimethylthioxanthene-S,S-dioxide","","- C59.5 H60 N2 O2 S -","- C59.5 H60 N2 O2 S -","- C119 H120 N4 O4 S2 -","2","1","","Stachelek, Patrycja; Ward, Jonathan S.; Dos Santos, Paloma L.; Danos, Andrew; Colella, Marco; Haase, Nils; Raynes, Samuel J.; Batsanov, Andrei S.; Bryce, Martin R.; Monkman, Andrew P.","Molecular Design Strategies for Color Tuning of Blue TADF Emitters.","ACS applied materials & interfaces","2019","11","30","27125","27133","10.1021/acsami.9b06364","","x-ray","0.71073","MoKα","","0.0702","0.0461","","","0.1044","0.115","","","","","","1.022","","","","has coordinates,has disorder","219747","2020-10-21","18:00:00",""
"4514563","7.849","0.007","26.26","0.019","10.736","0.008","90","","111.101","0.006","90","","2064","3","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C44 H29 Cl6 N2 O3 P -","- C44 H29 Cl6 N2 O3 P -","- C88 H58 Cl12 N4 O6 P2 -","2","0.5","","Zhong, Daokun; Yu, Yue; Song, Dongdong; Yang, Xiaolong; Zhang, Yindi; Chen, Xi; Zhou, Guijiang; Wu, Zhaoxin","Organic Emitters with a Rigid 9-Phenyl-9-phosphafluorene Oxide Moiety as the Acceptor and Their Thermally Activated Delayed Fluorescence Behavior.","ACS applied materials & interfaces","2019","11","30","27112","27124","10.1021/acsami.9b05950","","","0.71073","MoKα","","0.115","0.0929","","","0.2645","0.2867","","","","","","1.045","","","","has coordinates","219748","2020-10-21","18:00:00",""
"4514564","18.7736","0.0014","3.963","0.0003","16.317","0.001","90","","90","","90","","1213.98","0.15","120","2","120","2","","","","","","","synthesized by the authors","3","P n a 21","P 2c -2n","33","","","","- C17 H14 N2 -","- C17 H14 N2 -","- C68 H56 N8 -","4","1","","Procházková, Eliška; Cao, Cheng; Rawal, Aditya; Dračínský, Martin; Bhattacharyya, Saroj; Císařová, Ivana; Hook, James M.; Stenzel, Martina H.","Polymorphic Transformation of Drugs Induced by Glycopolymeric Vesicles Designed for Anticancer Therapy Probed by Solid-State NMR Spectroscopy.","ACS applied materials & interfaces","2019","11","31","28278","28288","10.1021/acsami.9b05514","","","1.54178","CuKα","","0.0632","0.0583","","","0.1383","0.1407","","","","","","1.138","","","","has coordinates","219749","2020-10-21","18:00:00",""
"4514565","20.8861","0.0013","20.5655","0.0013","20.678","0.0014","90","","113.811","0.001","90","","8125.9","0.9","296","2","296","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Cl3 Cu18 N36 O42 P W12 -","- C24 H24 Cl3 Cu18 N36 O42 P W12 -","- C96 H96 Cl12 Cu72 N144 O168 P4 W48 -","4","0.5","","Li, Xiao; Yang, Xi-Ya; Sha, Jing-Quan; Han, Tao; Du, Chun-Jiang; Sun, Yuan-Jie; Lan, Ya-Qian","POMOF/SWNT Nanocomposites with Prominent Peroxidase-Mimicking Activity for l-Cysteine ""On-Off Switch"" Colorimetric Biosensing.","ACS applied materials & interfaces","2019","11","18","16896","16904","10.1021/acsami.9b00872","","","0.71073","MoKα","","0.1057","0.0609","","","0.1504","0.1768","","","","","","1.009","","","","has coordinates","219750","2020-10-21","18:00:00",""
"4514566","11.516","0.003","12.049","0.003","14.257","0.004","94.053","0.004","105.889","0.004","106.155","0.004","1804.3","0.8","296","2","296.15","","","","","","","","","8","P -1","-P 1","2","","","","- C16 H16 Cl2 Cu6 N24 O44 P W12 -","- C16 H16 Cl2 Cu6 N24 O44 P W12 -","- C16 H16 Cl2 Cu6 N24 O44 P W12 -","1","0.5","","Li, Xiao; Yang, Xi-Ya; Sha, Jing-Quan; Han, Tao; Du, Chun-Jiang; Sun, Yuan-Jie; Lan, Ya-Qian","POMOF/SWNT Nanocomposites with Prominent Peroxidase-Mimicking Activity for l-Cysteine ""On-Off Switch"" Colorimetric Biosensing.","ACS applied materials & interfaces","2019","11","18","16896","16904","10.1021/acsami.9b00872","","","0.71073","MoKα","","0.0886","0.075","","","0.1892","0.2007","","","","","","1.054","","","","has coordinates","219751","2020-10-21","18:00:00",""
"4514567","36.5584","0.0003","36.5584","0.0003","36.5584","0.0003","90","","90","","90","","48860.9","0.7","292.98","0.1","292.98","0.1","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","","","- C11 H7 In0.5 N0.5 O2.67 -","- C11 H6 In0.5 N0.5 O2.66667 -","- C528 H288 In24 N24 O128 -","48","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Liu, Chulong; Lin, Quanjie; Chen, Shimin; Xiang, Shengchang; Zhang, Zhangjing","Enhancement of Intrinsic Proton Conductivity and Aniline Sensitivity by Introducing Dye Molecules into the MOF Channel.","ACS applied materials & interfaces","2019","11","18","16490","16495","10.1021/acsami.8b22327","","x-ray","1.54184","CuKα","","0.064","0.0458","","","0.1276","0.1399","","","","","","0.969","","","","has coordinates","219752","2020-10-21","18:00:00",""
"4514568","36.2108","0.0003","36.2108","0.0003","36.2108","0.0003","90","","90","","90","","47480.4","0.7","99.96","0.12","99.96","0.12","","","","","","","","5","P m -3 n","-P 4n 2 3","223","","","","- C11 H6 In0.5 N0.5 O2.67 -","- C11 H6 In0.5 N0.5 O2.66667 -","- C528 H288 In24 N24 O128 -","48","1","","Liu, Lizhen; Yao, Zizhu; Ye, Yingxiang; Liu, Chulong; Lin, Quanjie; Chen, Shimin; Xiang, Shengchang; Zhang, Zhangjing","Enhancement of Intrinsic Proton Conductivity and Aniline Sensitivity by Introducing Dye Molecules into the MOF Channel.","ACS applied materials & interfaces","2019","11","18","16490","16495","10.1021/acsami.8b22327","","","1.54184","CuKα","","0.1239","0.0963","","","0.2531","0.2932","","","","","","1.014","","","","has coordinates","219753","2020-10-21","18:00:00",""
"4514569","12.3627","0.0005","16.5069","0.0006","19.3243","0.0007","78.505","0.002","80.157","0.002","71.752","0.002","3645","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C85 H84 N6 -","- C85 H84 N6 -","- C170 H168 N12 -","2","1","","Jayakumar, Jayachandran; Wu, Tien-Lin; Huang, Min-Jie; Huang, Pei-Yun; Chou, Tsu-Yu; Lin, Hao-Wu; Cheng, Chien-Hong","Pyridine-Carbonitrile-Carbazole-Based Delayed Fluorescence Materials with Highly Congested Structures and Excellent OLED Performance.","ACS applied materials & interfaces","2019","11","23","21042","21048","10.1021/acsami.9b04664","","","0.71073","MoKα","","0.0853","0.0555","","","0.1519","0.1726","","","","","","1.052","","","","has coordinates,has disorder","219754","2020-10-21","18:00:00",""
"4514570","13.0254","0.0007","13.0272","0.0008","16.4926","0.001","91.223","0.003","102.951","0.002","106.442","0.003","2605","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C65 H61 N5 -","- C65 H61 N5 -","- C130 H122 N10 -","2","1","","Jayakumar, Jayachandran; Wu, Tien-Lin; Huang, Min-Jie; Huang, Pei-Yun; Chou, Tsu-Yu; Lin, Hao-Wu; Cheng, Chien-Hong","Pyridine-Carbonitrile-Carbazole-Based Delayed Fluorescence Materials with Highly Congested Structures and Excellent OLED Performance.","ACS applied materials & interfaces","2019","11","23","21042","21048","10.1021/acsami.9b04664","","","0.71073","MoKα","","0.0624","0.0492","","","0.1165","0.1239","","","","","","1.034","","","","has coordinates","219755","2020-10-21","18:00:00",""
"4514571","14.471","0.008","14.471","0.007","6.448","0.006","90","","90","","90","","1350.3","1.6","293","2","293","2","","","","","","","","2","P 4/m","-P 4","83","","","","- I3.62 Pb1.12 -","- I3.62 Pb1.12 -","- I14.48 Pb4.48 -","4","0.5","","Leblanc, Antonin; Mercier, Nicolas; Allain, Magali; Dittmer, Jens; Pauporté, Thierry; Fernandez, Vincent; Boucher, Florent; Kepenekian, Mikael; Katan, Claudine","Enhanced Stability and Band Gap Tuning of α-[HC(NH<sub>2</sub>)<sub>2</sub>]PbI<sub>3</sub> Hybrid Perovskite by Large Cation Integration.","ACS applied materials & interfaces","2019","11","23","20743","20751","10.1021/acsami.9b00210","","","0.71073","MoKα","","0.1055","0.0477","","","0.1301","0.1641","","","","","","1.014","","","","has coordinates","219756","2020-10-21","18:00:00",""
"4514572","7.4572","0.0007","9.0772","0.001","9.3799","0.0012","90","","102.675","0.012","90","","619.46","0.12","150.1","0.5","150","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H8 I N S -","- C2 H8 I N S -","- C8 H32 I4 N4 S4 -","4","1","","Leblanc, Antonin; Mercier, Nicolas; Allain, Magali; Dittmer, Jens; Pauporté, Thierry; Fernandez, Vincent; Boucher, Florent; Kepenekian, Mikael; Katan, Claudine","Enhanced Stability and Band Gap Tuning of α-[HC(NH<sub>2</sub>)<sub>2</sub>]PbI<sub>3</sub> Hybrid Perovskite by Large Cation Integration.","ACS applied materials & interfaces","2019","11","23","20743","20751","10.1021/acsami.9b00210","","","1.54184","CuKα","","0.0781","0.0769","","","0.2163","0.2184","","","","","","1.087","","","","has coordinates","219756","2020-10-21","18:00:00",""
"4514573","14.7847","0.0004","15.6515","0.0003","18.4365","0.0005","99.028","0.002","113.269","0.002","92.474","0.002","3844.6","0.18","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H40 Cd2 N16 O8 -","- C64 H40 Cd2 N16 O8 -","- C128 H80 Cd4 N32 O16 -","2","1","","Zhang, Ying; Meng, Xiao-Qing; Ding, Hao-Jing; Wang, Xi; Yu, Mei-Hui; Zhang, Shu-Ming; Chang, Ze; Bu, Xian-He","Rational Construction of Breathing Metal-Organic Frameworks through Synergy of a Stretchy Ligand and Highly Variable π-π Interaction.","ACS applied materials & interfaces","2019","11","23","20995","21003","10.1021/acsami.9b04759","","","1.54178","CuKα","","0.0553","0.0518","","","0.1529","0.1566","","","","","","1.033","","","","has coordinates","219757","2020-10-21","18:00:00",""
"4514574","15.1008","0.0004","15.1284","0.0003","18.1489","0.0004","76.71","0.002","67.069","0.002","89.629","0.002","3700.22","0.16","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H40 Cd2 N16 O8 -","- C64 H40 Cd2 N16 O8 -","- C128 H80 Cd4 N32 O16 -","2","1","","Zhang, Ying; Meng, Xiao-Qing; Ding, Hao-Jing; Wang, Xi; Yu, Mei-Hui; Zhang, Shu-Ming; Chang, Ze; Bu, Xian-He","Rational Construction of Breathing Metal-Organic Frameworks through Synergy of a Stretchy Ligand and Highly Variable π-π Interaction.","ACS applied materials & interfaces","2019","11","23","20995","21003","10.1021/acsami.9b04759","","","1.54178","CuKα","","0.0974","0.0925","","","0.2612","0.264","","","","","","1.119","","","","has coordinates","219758","2020-10-21","18:00:00",""
"4514575","15.0446","0.0006","15.3208","0.0006","18.3342","0.0006","77.504","0.003","66.142","0.004","88.035","0.003","3766.6","0.3","120","0.1","120","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H40 Cd2 N16 O8 -","- C64 H40 Cd2 N16 O8 -","- C128 H80 Cd4 N32 O16 -","2","1","","Zhang, Ying; Meng, Xiao-Qing; Ding, Hao-Jing; Wang, Xi; Yu, Mei-Hui; Zhang, Shu-Ming; Chang, Ze; Bu, Xian-He","Rational Construction of Breathing Metal-Organic Frameworks through Synergy of a Stretchy Ligand and Highly Variable π-π Interaction.","ACS applied materials & interfaces","2019","11","23","20995","21003","10.1021/acsami.9b04759","","x-ray","1.54184","CuKα","","0.0568","0.0524","","","0.1513","0.1557","","","","","","1.111","","","","has coordinates","219759","2020-10-21","18:00:00",""
"4514576","18.4591","0.0002","20.0087","0.0003","21.7899","0.0003","82.812","0.001","82.598","0.001","68.339","0.001","7390.98","0.18","298","0.1","298","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C128 H80 Cd4 N32 O16 -","- C128 H80 Cd4 N32 O16 -","- C256 H160 Cd8 N64 O32 -","2","1","","Zhang, Ying; Meng, Xiao-Qing; Ding, Hao-Jing; Wang, Xi; Yu, Mei-Hui; Zhang, Shu-Ming; Chang, Ze; Bu, Xian-He","Rational Construction of Breathing Metal-Organic Frameworks through Synergy of a Stretchy Ligand and Highly Variable π-π Interaction.","ACS applied materials & interfaces","2019","11","23","20995","21003","10.1021/acsami.9b04759","","x-ray","1.54184","CuKα","","0.0586","0.049","","","0.1446","0.1512","","","","","","1.058","","","","has coordinates","219760","2020-10-21","18:00:00",""
"4514577","15.4922","0.0002","17.7766","0.0002","29.2303","0.0004","76.613","0.001","78.781","0.001","74.378","0.001","7466.49","0.17","298.3","0.2","298.3","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C128 H81 Cd4 N32 O16 -","- C128 H81 Cd4 N32 O16 -","- C256 H162 Cd8 N64 O32 -","2","1","","Zhang, Ying; Meng, Xiao-Qing; Ding, Hao-Jing; Wang, Xi; Yu, Mei-Hui; Zhang, Shu-Ming; Chang, Ze; Bu, Xian-He","Rational Construction of Breathing Metal-Organic Frameworks through Synergy of a Stretchy Ligand and Highly Variable π-π Interaction.","ACS applied materials & interfaces","2019","11","23","20995","21003","10.1021/acsami.9b04759","","","1.54184","CuKα","","0.0641","0.056","","","0.169","0.1759","","","","","","1.072","","","","has coordinates","219761","2020-10-21","18:00:00",""
"4514578","14.8086","0.0004","15.9794","0.0005","18.2659","0.0003","101.054","0.002","111.35","0.002","90.981","0.002","3933.09","0.19","298.33","0.1","298.33","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C64 H40 Cd2 N16 O8 -","- C64 H40 Cd2 N16 O8 -","- C128 H80 Cd4 N32 O16 -","2","1","","Zhang, Ying; Meng, Xiao-Qing; Ding, Hao-Jing; Wang, Xi; Yu, Mei-Hui; Zhang, Shu-Ming; Chang, Ze; Bu, Xian-He","Rational Construction of Breathing Metal-Organic Frameworks through Synergy of a Stretchy Ligand and Highly Variable π-π Interaction.","ACS applied materials & interfaces","2019","11","23","20995","21003","10.1021/acsami.9b04759","","x-ray","0.71","MoKα","","0.0675","0.0616","","","0.1884","0.1947","","","","","","1.034","","","","has coordinates","219762","2020-10-21","18:00:00",""
"4514579","20.091","0.005","19.41","0.005","13.624","0.004","90","","90.1","","90","","5313","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 Cu2 N2 O12 -","- C26 H22 Cu2 N2 O12 -","- C208 H176 Cu16 N16 O96 -","8","2","","Zhou, Bihang; Zheng, Jia-Jia; Duan, Jingui; Hou, Chunchao; Wang, Yang; Jin, Wanqin; Xu, Qiang","Chemically Robust, Cu-based Porous Coordination Polymer Nanosheets for Efficient Hydrogen Evolution: Experimental and Theoretical Studies.","ACS applied materials & interfaces","2019","11","23","21086","21093","10.1021/acsami.9b04471","","","0.71073","MoKα","","0.1595","0.0768","","","0.1834","0.2032","","","","","","1.034","","","","has coordinates","219763","2020-10-21","18:00:00",""
"4514580","12.157","0.005","12.157","0.005","10.457","0.005","90","","90","","120","","1338.4","1","293","2","293","2","","","","","","","","7","P -3 1 m","-P 3 2","162","","","","- C12 H17 Ag5 Mo12 N18 O40 Si -","- C12 H12 Ag4.92 Mo12 N18 O40 Si -","- C12 H12 Ag4.92 Mo12 N18 O40 Si -","1","0.0833333","","Hou, Yan; Chai, Dongfeng; Li, Bonan; Pang, Haijun; Ma, Huiyuan; Wang, Xinming; Tan, Lichao","Polyoxometalate-Incorporated Metallacalixarene@Graphene Composite Electrodes for High-Performance Supercapacitors.","ACS applied materials & interfaces","2019","11","23","20845","20853","10.1021/acsami.9b04649","","","0.71069","MoKα","","0.0887","0.0789","","","0.1763","0.1826","","","","","","1.04","","","","has coordinates","219764","2020-10-21","18:00:00",""
"4514581","12.1796","0.0007","12.1796","0.0007","10.4736","0.0008","90","","90","","120","","1345.53","0.15","293","2","293","2","","","","","","","","7","P -3 1 m","-P 3 2","162","","","","- C12 H17 Ag5 N18 O40 Si W12 -","- C12 H12 Ag4.92 N18 O40 Si W12 -","- C12 H12 Ag4.92 N18 O40 Si W12 -","1","0.0833333","","Hou, Yan; Chai, Dongfeng; Li, Bonan; Pang, Haijun; Ma, Huiyuan; Wang, Xinming; Tan, Lichao","Polyoxometalate-Incorporated Metallacalixarene@Graphene Composite Electrodes for High-Performance Supercapacitors.","ACS applied materials & interfaces","2019","11","23","20845","20853","10.1021/acsami.9b04649","","","0.71","MoKα","","0.0489","0.0374","","","0.0906","0.0977","","","","","","1.06","","","","has coordinates","219765","2020-10-21","18:00:00",""
"4514582","6.3468","0.0004","12.4679","0.0008","13.0046","0.0009","70.524","0.003","85.858","0.003","82.85","0.003","962.12","0.11","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","N1,N4-(diterephthalic acid)terephthalamide","","- C36 H44 N6 O14 -","- C36 H44 N6 O14 -","- C36 H44 N6 O14 -","1","0.5","","Dietrich, Dennis; Licht, Christopher; Nuhnen, Alexander; Höfert, Simon-Patrick; De Laporte, Laura; Janiak, Christoph","Metal-Organic Gels Based on a Bisamide Tetracarboxyl Ligand for Carbon Dioxide, Sulfur Dioxide, and Selective Dye Uptake.","ACS applied materials & interfaces","2019","11","21","19654","19667","10.1021/acsami.9b04659","","","0.71073","MoKα","","0.0393","0.0364","","","0.0976","0.1004","","","","","","1.03","","","","has coordinates,has disorder","219766","2020-10-21","18:00:00",""
"4514583","9.8403","0.0004","21.3017","0.0009","24.2115","0.0012","90","","90","","90","","5075.1","0.4","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H27 N O2 S -","- C32 H27 N O2 S -","- C256 H216 N8 O16 S8 -","8","1","","Wu, Tien-Lin; Liao, Ssu-Yu; Huang, Pei-Yun; Hong, Zih-Siang; Huang, Man-Ping; Lin, Chih-Chun; Cheng, Mu-Jeng; Cheng, Chien-Hong","Exciplex Organic Light-Emitting Diodes with Nearly 20% External Quantum Efficiency: Effect of Intermolecular Steric Hindrance between the Donor and Acceptor Pair.","ACS applied materials & interfaces","2019","11","21","19294","19300","10.1021/acsami.9b04365","","","0.71073","MoKα","","0.0458","0.0357","","","0.085","0.0913","","","","","","1.029","","","","has coordinates","219767","2020-10-21","18:00:00",""
"4514584","25.1361","0.0006","4.6632","0.0002","23.7066","0.0007","90","","114.459","0.002","90","","2529.39","0.15","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Br6 N2 O4 Pb3 -","- C16 H16 Br6 N2 O4 Pb3 -","- C64 H64 Br24 N8 O16 Pb12 -","4","0.5","","Sun, Cai; Wang, Ming-Sheng; Guo, Guo-Cong","Covalently Bonded Pillared Layered Bromoplumbate with High Thermal Stability: High Capacitance Gain after Photoinduced Electron Transfer.","ACS applied materials & interfaces","2019","11","34","30713","30718","10.1021/acsami.9b06375","","","0.71073","MoKα","","0.0347","0.0309","","","0.0718","0.0734","","","","","","1.18","","","","has coordinates","219768","2020-10-21","18:00:00",""
"4514585","25.1351","0.0012","4.6642","0.0002","23.7112","0.0012","90","","114.438","0.004","90","","2530.7","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Br6 N2 O4 Pb3 -","- C16 H16 Br6 N2 O4 Pb3 -","- C64 H64 Br24 N8 O16 Pb12 -","4","0.5","","Sun, Cai; Wang, Ming-Sheng; Guo, Guo-Cong","Covalently Bonded Pillared Layered Bromoplumbate with High Thermal Stability: High Capacitance Gain after Photoinduced Electron Transfer.","ACS applied materials & interfaces","2019","11","34","30713","30718","10.1021/acsami.9b06375","","","0.71073","MoKα","","0.035","0.0309","","","0.0717","0.0734","","","","","","1.167","","","","has coordinates","219769","2020-10-21","18:00:00",""
"4514586","5.7381","0.0005","27.1129","0.0016","7.7795","0.0006","90","","100.679","0.008","90","","1189.35","0.16","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 Fe O3 -","- C14 H14 Fe O3 -","- C56 H56 Fe4 O12 -","4","1","","Qin, Yin; Gao, Tian-Li; Xie, Wen-Ping; Li, Zifeng; Li, Gang","Ultrahigh Proton Conduction in Two Highly Stable Ferrocenyl Carboxylate Frameworks.","ACS applied materials & interfaces","2019","11","34","31018","31027","10.1021/acsami.9b11056","","","","","","0.068","","","","","","","","","","","","","","","has coordinates","219770","2020-10-21","18:00:00",""
"4514587","5.809","0.0002","12.8698","0.0005","12.5766","0.0004","90","","97.114","0.003","90","","933","0.06","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Fe O2 -","- C11 H10 Fe O2 -","- C44 H40 Fe4 O8 -","4","1","","Qin, Yin; Gao, Tian-Li; Xie, Wen-Ping; Li, Zifeng; Li, Gang","Ultrahigh Proton Conduction in Two Highly Stable Ferrocenyl Carboxylate Frameworks.","ACS applied materials & interfaces","2019","11","34","31018","31027","10.1021/acsami.9b11056","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","219771","2020-10-21","18:00:00",""
"4514588","18.541","0.004","10.475","0.002","19.288","0.004","90","","91.25","0.003","90","","3745.2","1.3","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H16 Cd N2 O4 -","- C20 H16 Cd N2 O4 -","- C160 H128 Cd8 N16 O32 -","8","1","","Shi, Jinbiao; Zhang, Jianling; Liang, Tongling; Tan, Dongxing; Tan, Xiuniang; Wan, Qiang; Cheng, Xiuyan; Zhang, Bingxing; Han, Buxing; Liu, Lifei; Zhang, Fanyu; Chen, Gang","Bipyridyl-Containing Cadmium-Organic Frameworks for Efficient Photocatalytic Oxidation of Benzylamine.","ACS applied materials & interfaces","2019","11","34","30953","30958","10.1021/acsami.9b09879","","","0.71073","MoKα","","0.051","0.0492","","","0.1187","0.1199","","","","","","1.111","","","","has coordinates","219772","2020-10-21","18:00:00",""
"4514589","15.7287","0.0012","21.6518","0.0012","7.5242","0.0004","90","","116.784","0.006","90","","2287.5","0.3","173","2","173.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Cd N2 O4 -","- C18 H12 Cd N2 O4 -","- C72 H48 Cd4 N8 O16 -","4","0.5","","Shi, Jinbiao; Zhang, Jianling; Liang, Tongling; Tan, Dongxing; Tan, Xiuniang; Wan, Qiang; Cheng, Xiuyan; Zhang, Bingxing; Han, Buxing; Liu, Lifei; Zhang, Fanyu; Chen, Gang","Bipyridyl-Containing Cadmium-Organic Frameworks for Efficient Photocatalytic Oxidation of Benzylamine.","ACS applied materials & interfaces","2019","11","34","30953","30958","10.1021/acsami.9b09879","","","0.71073","MoKα","","0.0478","0.0459","","","0.1268","0.1281","","","","","","1.129","","","","has coordinates","219773","2020-10-21","18:00:00",""
"4514590","9.554","0.0001","26.8344","0.0003","32.851","0.0003","90","","90","","90","","8422.2","0.15","282","3","282","3","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C59 H37 N3 -","- C59 H37 N3 -","- C472 H296 N24 -","8","2","","Xu, Yuwei; Liang, Xiaoming; Liang, Yiqian; Guo, Xiaomin; Hanif, Muddasir; Zhou, Jiadong; Zhou, Xuehong; Wang, Cong; Yao, Jingwen; Zhao, Ruiyang; Hu, Dehua; Qiao, Xianfeng; Ma, Dongge; Ma, Yuguang","Efficient Deep-Blue Fluorescent OLEDs with a High Exciton Utilization Efficiency from a Fully Twisted Phenanthroimidazole-Anthracene Emitter.","ACS applied materials & interfaces","2019","11","34","31139","31146","10.1021/acsami.9b10823","","x-ray","1.54184","CuKα","","0.036","0.0335","","","0.0859","0.0875","","","","","","1.037","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4514591","8.9146","0.0003","13.5124","0.0004","35.9562","0.0008","100.017","0.002","91.151","0.002","103.317","0.003","4142.3","0.2","299.8","0.6","299.8","0.6","","","","","","","","3","P -1","-P 1","2","","","","- C59 H37 N3 -","- C59 H37 N3 -","- C236 H148 N12 -","4","2","","Xu, Yuwei; Liang, Xiaoming; Liang, Yiqian; Guo, Xiaomin; Hanif, Muddasir; Zhou, Jiadong; Zhou, Xuehong; Wang, Cong; Yao, Jingwen; Zhao, Ruiyang; Hu, Dehua; Qiao, Xianfeng; Ma, Dongge; Ma, Yuguang","Efficient Deep-Blue Fluorescent OLEDs with a High Exciton Utilization Efficiency from a Fully Twisted Phenanthroimidazole-Anthracene Emitter.","ACS applied materials & interfaces","2019","11","34","31139","31146","10.1021/acsami.9b10823","","x-ray","1.54184","CuKα","","0.1131","0.0464","","","0.0979","0.1233","","","","","","0.907","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4514592","15.1298","0.0009","17.3309","0.0011","18.2494","0.0011","97.755","0.003","110.714","0.002","100.074","0.002","4305.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C57 H50 B N3 O2 -","- C57 H50 B N3 O2 -","- C228 H200 B4 N12 O8 -","4","2","","Wu, Tien-Lin; Lo, Shih-Han; Chang, Yu-Che; Huang, Min-Jie; Cheng, Chien-Hong","Steric Switching for Thermally Activated Delayed Fluorescence by Controlling the Dihedral Angles between Donor and Acceptor in Organoboron Emitters.","ACS applied materials & interfaces","2019","11","11","10768","10776","10.1021/acsami.8b21568","","","0.71073","MoKα","","0.078","0.0477","","","0.1025","0.118","","","","","","1.02","","","","has coordinates","219776","2020-10-21","18:00:00",""
"4514593","16.332","0.0011","20.538","0.0015","16.6758","0.0012","90","","113.255","0.003","90","","5139.1","0.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C65 H66 B N3 -","- C65 H66 B N3 -","- C260 H264 B4 N12 -","4","1","","Wu, Tien-Lin; Lo, Shih-Han; Chang, Yu-Che; Huang, Min-Jie; Cheng, Chien-Hong","Steric Switching for Thermally Activated Delayed Fluorescence by Controlling the Dihedral Angles between Donor and Acceptor in Organoboron Emitters.","ACS applied materials & interfaces","2019","11","11","10768","10776","10.1021/acsami.8b21568","","","0.71073","MoKα","","0.0846","0.0517","","","0.1101","0.1264","","","","","","1.021","","","","has coordinates","219777","2020-10-21","18:00:00",""
"4514594","42.226","0.007","10.2992","0.0018","21.399","0.004","90","","104.757","0.005","90","","8999","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C57 H50 B N3 -","- C57 H50 B N3 -","- C456 H400 B8 N24 -","8","1","","Wu, Tien-Lin; Lo, Shih-Han; Chang, Yu-Che; Huang, Min-Jie; Cheng, Chien-Hong","Steric Switching for Thermally Activated Delayed Fluorescence by Controlling the Dihedral Angles between Donor and Acceptor in Organoboron Emitters.","ACS applied materials & interfaces","2019","11","11","10768","10776","10.1021/acsami.8b21568","","","0.71073","MoKα","","0.1486","0.0611","","","0.1417","0.194","","","","","","1.016","","","","has coordinates,has disorder","219778","2020-10-21","18:00:00",""
"4514595","13.08","0.007","13.557","0.007","17.885","0.009","69.176","0.01","89.731","0.01","63.458","0.01","2606","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C63 H62 B N3 -","- C63 H62 B N3 -","- C126 H124 B2 N6 -","2","1","","Wu, Tien-Lin; Lo, Shih-Han; Chang, Yu-Che; Huang, Min-Jie; Cheng, Chien-Hong","Steric Switching for Thermally Activated Delayed Fluorescence by Controlling the Dihedral Angles between Donor and Acceptor in Organoboron Emitters.","ACS applied materials & interfaces","2019","11","11","10768","10776","10.1021/acsami.8b21568","","","0.71073","MoKα","","0.1596","0.083","","","0.206","0.2561","","","","","","1.001","","","","has coordinates","219779","2020-10-21","18:00:00",""
"4514596","16.5673","0.0002","15.2797","0.0002","21.0925","0.0003","90","","90","","90","","5339.43","0.12","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H25 Gd N4 O8 -","- C27 H25 Gd N4 O8 -","- C216 H200 Gd8 N32 O64 -","8","1","","Zaręba, Jan K; Nyk, Marcin; Janczak, Jan; Samoć, Marek","Three-Photon Absorption of Coordination Polymer Transforms UV-to-VIS Thermometry into NIR-to-VIS Thermometry.","ACS applied materials & interfaces","2019","11","11","10435","10441","10.1021/acsami.8b21937","","","0.71073","MoKα","","0.0549","0.0295","","","0.0617","0.0734","","","","","","1.002","","","","has coordinates","219780","2020-10-21","18:00:00",""
"4514597","20.075","0.008","7.074","0.003","25.586","0.01","90","","105.098","0.005","90","","3508","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Cl N2 O2.5 -","- C22 H18 Cl N2 O2.5 -","- C176 H144 Cl8 N16 O20 -","8","2","","Isoda, Kyosuke; Ishiyama, Tatsuya; Mutoh, Yuichiro; Matsukuma, Daisuke","Stimuli-Responsive Room-Temperature N-Heteroacene Liquid: In Situ Observation of the Self-Assembling Process and Its Multiple Properties.","ACS applied materials & interfaces","2019","11","12","12053","12062","10.1021/acsami.8b21695","","","0.71073","MoKα","","0.1401","0.0788","","","0.1795","0.2121","","","","","","1.042","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4514598","13.036","0.002","7.996","0.0015","16.38","0.003","90","","110.428","0.002","90","","1600","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","1","","Isoda, Kyosuke; Ishiyama, Tatsuya; Mutoh, Yuichiro; Matsukuma, Daisuke","Stimuli-Responsive Room-Temperature N-Heteroacene Liquid: In Situ Observation of the Self-Assembling Process and Its Multiple Properties.","ACS applied materials & interfaces","2019","11","12","12053","12062","10.1021/acsami.8b21695","","","0.71073","MoKα","","0.0728","0.0465","","","0.1097","0.1235","","","","","","1.032","","","","has coordinates","219782","2020-10-21","18:00:00",""
"4514599","25.0266","0.0005","28.3182","0.0007","30.3737","0.0006","90","","90","","90","","21526.1","0.8","150","1","150","1","","","","","","","","4","F m m m","-F 2 2","69","","","","- C42 H22 O24 Zn4 -","- C42 H22 O24 Zn4 -","- C336 H176 O192 Zn32 -","8","0.25","","Jurcic, Monika; Peveler, William J.; Savory, Christopher N.; Bučar, Dejan-Krešimir; Kenyon, Anthony J.; Scanlon, David O.; Parkin, Ivan P.","Sensing and Discrimination of Explosives at Variable Concentrations with a Large-Pore MOF as Part of a Luminescent Array.","ACS applied materials & interfaces","2019","11","12","11618","11626","10.1021/acsami.8b22385","","x-ray","1.54184","CuKα","","0.0534","0.0465","","","0.1479","0.1623","","","","","","1.0189","","","","has coordinates","219783","2020-10-21","18:00:00",""
"4514600","17.1992","0.0012","5.8322","0.0004","5.6685","0.0004","90","","98.946","0.001","90","","561.69","0.07","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C3 H3 Au F3 N -","- C3 H3 Au F3 N -","- C12 H12 Au4 F12 N4 -","4","0.5","","Carden, Will G.; Thorman, Rachel M.; Unlu, Ilyas; Abboud, Khalil A.; Fairbrother, D. Howard; McElwee-White, Lisa","Design, Synthesis, and Evaluation of CF<sub>3</sub>AuCNR Precursors for Focused Electron Beam-Induced Deposition of Gold.","ACS applied materials & interfaces","2019","11","12","11976","11987","10.1021/acsami.8b18368","","","0.71073","MoKα","","0.0108","0.0105","","","0.0265","0.0265","","","","","","1.256","","","","has coordinates,has disorder","219785","2020-10-21","18:00:00",""
"4514601","6.8264","0.0003","7.7774","0.0004","19.185","0.0009","87.622","0.002","80.008","0.002","68.976","0.002","936.1","0.08","153","","153","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H32 F12 N4 P2 -","- C38 H32 F12 N4 P2 -","- C38 H32 F12 N4 P2 -","1","0.5","","Zhao, Na; Li, Pengfei; Zhuang, Jiabao; Liu, Yanyan; Xiao, Yuxin; Qin, Ruilin; Li, Nan","Aggregation-Induced Emission Luminogens with the Capability of Wide Color Tuning, Mitochondrial and Bacterial Imaging, and Photodynamic Anticancer and Antibacterial Therapy.","ACS applied materials & interfaces","2019","11","12","11227","11237","10.1021/acsami.9b01655","","","1.54178","CuKα","","0.0885","0.086","","","0.2323","0.2343","","","","","","1.058","","","","has coordinates","219786","2020-10-21","18:00:00",""
"4514602","6.504","0.0005","7.4221","0.0007","19.2502","0.0017","86.056","0.002","80.656","0.002","73.71","0.001","879.86","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 F12 N4 P2 -","- C36 H28 F12 N4 P2 -","- C36 H28 F12 N4 P2 -","1","0.5","","Zhao, Na; Li, Pengfei; Zhuang, Jiabao; Liu, Yanyan; Xiao, Yuxin; Qin, Ruilin; Li, Nan","Aggregation-Induced Emission Luminogens with the Capability of Wide Color Tuning, Mitochondrial and Bacterial Imaging, and Photodynamic Anticancer and Antibacterial Therapy.","ACS applied materials & interfaces","2019","11","12","11227","11237","10.1021/acsami.9b01655","","","0.71073","MoKα","","0.133","0.0723","","","0.2112","0.2334","","","","","","1.1","","","","has coordinates,has disorder","219787","2020-10-21","18:00:00",""
"4514603","8.205","0.0008","9.0601","0.0009","15.7179","0.0013","81.308","0.001","87.4","0.002","85.06","0.002","1150.11","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 F18 N6 P2 -","- C42 H32 F18 N6 P2 -","- C42 H32 F18 N6 P2 -","1","0.5","","Zhao, Na; Li, Pengfei; Zhuang, Jiabao; Liu, Yanyan; Xiao, Yuxin; Qin, Ruilin; Li, Nan","Aggregation-Induced Emission Luminogens with the Capability of Wide Color Tuning, Mitochondrial and Bacterial Imaging, and Photodynamic Anticancer and Antibacterial Therapy.","ACS applied materials & interfaces","2019","11","12","11227","11237","10.1021/acsami.9b01655","","","0.71073","MoKα","","0.1895","0.0828","","","0.169","0.1894","","","","","","1.087","","","","has coordinates,has disorder","219788","2020-10-21","18:00:00",""
"4514604","7.2183","0.0005","43.778","0.003","10.9651","0.0008","90","","93.594","0.003","90","","3458.2","0.4","296","2","296","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C32 H16 In O5 -","- C32 H16 In O5 -","- C128 H64 In4 O20 -","4","0.5","","Wei, Hongxia; Guo, Zhifen; Liang, Xiao; Chen, Peiqi; Liu, Hui; Xing, Hongzhu","Selective Photooxidation of Amines and Sulfides Triggered by a Superoxide Radical Using a Novel Visible-Light-Responsive Metal-Organic Framework.","ACS applied materials & interfaces","2019","11","3","3016","3023","10.1021/acsami.8b18206","","","0.71073","MoKα","","0.035","0.0283","","","0.0685","0.0715","","","","","","1.092","","","","has coordinates","219789","2020-10-21","18:00:00",""
"4515432","25.4167","0.0002","25.4167","0.0002","25.4167","0.0002","90","","90","","90","","16419.4","0.2","296","2","296.15","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","","","- C108 N6 O16 Zr3 -","- C108 N6 O16 Zr3 -","- C216 N12 O32 Zr6 -","2","0.0416667","","Xu, Xiaohui; Li, Shenhui; Liu, Qi; Liu, Zhiyu; Yan, Wei; Zhao, Ligong; Zhang, Wenhao; Zhang, Liang; Deng, Feng; Cong, Hengjiang; Deng, Hexiang","Isolated π-Interaction Sites in Mesoporous MOF Backbone for Repetitive and Reversible Dynamics in Water.","ACS applied materials & interfaces","2019","11","1","973","981","10.1021/acsami.8b19211","","","1.54178","CuKα","","0.0843","0.0786","","","0.245","0.2526","","","","","","1.189","","","","has coordinates,has disorder","225586","2020-10-21","18:00:00",""
"4515433","25.4024","0.0001","25.4024","0.0001","25.4024","0.0001","90","","90","","90","","16391.7","0.11","296","2","296.15","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C216 Fe3 N12 O32 Zr6 -","- C216 Fe3 N12 O32 Zr6 -","- C216 Fe3 N12 O32 Zr6 -","1","0.0208333","","Xu, Xiaohui; Li, Shenhui; Liu, Qi; Liu, Zhiyu; Yan, Wei; Zhao, Ligong; Zhang, Wenhao; Zhang, Liang; Deng, Feng; Cong, Hengjiang; Deng, Hexiang","Isolated π-Interaction Sites in Mesoporous MOF Backbone for Repetitive and Reversible Dynamics in Water.","ACS applied materials & interfaces","2019","11","1","973","981","10.1021/acsami.8b19211","","","1.54178","CuKα","","0.0666","0.062","","","0.1697","0.1729","","","","","","1.179","","","","has coordinates,has disorder","225587","2020-10-21","18:00:00",""
"4515434","25.3953","0.0002","25.3953","0.0002","25.3953","0.0002","90","","90","","90","","16378","0.2","296","2","296.15","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C216 Cu3 N12 O32 Zr6 -","- C216 Cu3 N12 O32 Zr6 -","- C216 Cu3 N12 O32 Zr6 -","1","0.0208333","","Xu, Xiaohui; Li, Shenhui; Liu, Qi; Liu, Zhiyu; Yan, Wei; Zhao, Ligong; Zhang, Wenhao; Zhang, Liang; Deng, Feng; Cong, Hengjiang; Deng, Hexiang","Isolated π-Interaction Sites in Mesoporous MOF Backbone for Repetitive and Reversible Dynamics in Water.","ACS applied materials & interfaces","2019","11","1","973","981","10.1021/acsami.8b19211","","","1.54178","CuKα","","0.1037","0.1009","","","0.2706","0.2737","","","","","","1.116","","","","has coordinates,has disorder","225588","2020-10-21","18:00:00",""
"4515435","31.4167","0.0002","31.4167","0.0002","31.4167","0.0002","90","","90","","90","","31008.6","0.3","296","2","296.15","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","","- C288 Cu3 N12 O32 Zr6 -","- C288 Cu3 N12 O32 Zr6 -","- C288 Cu3 N12 O32 Zr6 -","1","0.0208333","","Xu, Xiaohui; Li, Shenhui; Liu, Qi; Liu, Zhiyu; Yan, Wei; Zhao, Ligong; Zhang, Wenhao; Zhang, Liang; Deng, Feng; Cong, Hengjiang; Deng, Hexiang","Isolated π-Interaction Sites in Mesoporous MOF Backbone for Repetitive and Reversible Dynamics in Water.","ACS applied materials & interfaces","2019","11","1","973","981","10.1021/acsami.8b19211","","","1.54178","CuKα","","0.0777","0.0752","","","0.2212","0.2259","","","","","","1.129","","","","has coordinates,has disorder","225589","2020-10-21","18:00:00",""
"4515436","6.6666","0.0006","10.8671","0.0009","16.3934","0.0014","74.003","0.004","85.192","0.004","78.542","0.004","1118.37","0.17","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H28 N10 -","- C54 H28 N10 -","- C54 H28 N10 -","1","0.5","","Jin, Jianqun; Long, Guankui; Gao, Yongqian; Zhang, Jing; Ou, Changjin; Zhu, Caixia; Xu, Haixiao; Zhao, Jianfeng; Zhang, Mingtao; Huang, Wei","Supramolecular Design of Donor-Acceptor Complexes via Heteroatom Replacement toward Structure and Electrical Transporting Property Tailoring.","ACS applied materials & interfaces","2019","11","1","1109","1116","10.1021/acsami.8b16561","","","1.54178","CuKα","","0.0878","0.0656","","","0.1624","0.1797","","","","","","1.03","","","","has coordinates","225590","2020-10-21","18:00:00",""
"4515437","7.311","0.006","9.744","0.007","28.77","0.02","90","","91.9","0.01","90","","2048","3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H13 N6 -","- C26 H13 N6 -","- C104 H52 N24 -","4","1","","Jin, Jianqun; Long, Guankui; Gao, Yongqian; Zhang, Jing; Ou, Changjin; Zhu, Caixia; Xu, Haixiao; Zhao, Jianfeng; Zhang, Mingtao; Huang, Wei","Supramolecular Design of Donor-Acceptor Complexes via Heteroatom Replacement toward Structure and Electrical Transporting Property Tailoring.","ACS applied materials & interfaces","2019","11","1","1109","1116","10.1021/acsami.8b16561","","","0.71073","MoKα","","0.1166","0.0496","","","0.1113","0.1327","","","","","","0.877","","","","has coordinates","225591","2020-10-21","18:00:00",""
"4515438","11.4869","0.0017","13.353","0.002","16.424","0.003","95.203","0.004","102.662","0.004","111.433","0.004","2247.1","0.6","299","2","299","2","","","","","","","","4","P -1","-P 1","2","","","","- C58 H28 N14 O0 -","- C58 H28 N14 -","- C116 H56 N28 -","2","1","","Jin, Jianqun; Long, Guankui; Gao, Yongqian; Zhang, Jing; Ou, Changjin; Zhu, Caixia; Xu, Haixiao; Zhao, Jianfeng; Zhang, Mingtao; Huang, Wei","Supramolecular Design of Donor-Acceptor Complexes via Heteroatom Replacement toward Structure and Electrical Transporting Property Tailoring.","ACS applied materials & interfaces","2019","11","1","1109","1116","10.1021/acsami.8b16561","","","0.71073","MoKα","","0.1757","0.0954","","","0.2038","0.229","","","","","","1.015","","","","has coordinates","225592","2020-10-21","18:00:00",""
"4515439","14.1634","0.0015","13.0871","0.0013","17.0084","0.0018","90","","109.625","0.004","90","","2969.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 Cl2 O6 -","- C31 H34 Cl2 O6 -","- C124 H136 Cl8 O24 -","4","1","","Wu, Jia-Rui; Li, Bao; Zhang, Jiang-Wei; Yang, Ying-Wei","Semi-Rigid Molecular-Clip-Based Molecular Crystal Gearshift.","ACS applied materials & interfaces","2019","11","1","998","1003","10.1021/acsami.8b20108","","","0.71073","MoKα","","0.162","0.0819","","","0.2337","0.3013","","","","","","1.039","","","","has coordinates","225593","2020-10-21","18:00:00",""
"4515440","8.3088","0.0006","11.9427","0.0009","17.7977","0.0013","80.267","0.003","84.661","0.003","70.483","0.003","1639.4","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H42 O6 -","- C38 H42 O6 -","- C76 H84 O12 -","2","1","","Wu, Jia-Rui; Li, Bao; Zhang, Jiang-Wei; Yang, Ying-Wei","Semi-Rigid Molecular-Clip-Based Molecular Crystal Gearshift.","ACS applied materials & interfaces","2019","11","1","998","1003","10.1021/acsami.8b20108","","","0.71073","MoKα","","0.1208","0.0806","","","0.2515","0.2816","","","","","","1.054","","","","has coordinates","225594","2020-10-21","18:00:00",""
"4515441","5.1831","0.0006","16.4627","0.0019","14.3407","0.0016","90","","91.332","0.002","90","","1223.3","0.2","273","","273","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 O6 -","- C30 H32 O6 -","- C60 H64 O12 -","2","0.5","","Wu, Jia-Rui; Li, Bao; Zhang, Jiang-Wei; Yang, Ying-Wei","Semi-Rigid Molecular-Clip-Based Molecular Crystal Gearshift.","ACS applied materials & interfaces","2019","11","1","998","1003","10.1021/acsami.8b20108","","","0.71073","MoKα","","0.0595","0.0439","","","0.1103","0.1198","","","","","","1.035","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4515442","7.9769","0.0005","10.0672","0.0006","16.9845","0.001","76.037","0.002","84.077","0.002","78.348","0.002","1294.23","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H32 O6 -","- C30 H32 O6 -","- C60 H64 O12 -","2","1","","Wu, Jia-Rui; Li, Bao; Zhang, Jiang-Wei; Yang, Ying-Wei","Semi-Rigid Molecular-Clip-Based Molecular Crystal Gearshift.","ACS applied materials & interfaces","2019","11","1","998","1003","10.1021/acsami.8b20108","","","0.71073","MoKα","","0.151","0.0611","","","0.1097","0.1415","","","","","","1.001","","","","has coordinates","225596","2020-10-21","18:00:00",""
"4515443","7.9875","0.0015","11.333","0.002","15.342","0.003","82.119","0.004","84.605","0.004","86.509","0.004","1368","0.4","273","","273","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H64 I2 O12 -","- C60 H64 I2 O12 -","- C60 H64 I2 O12 -","1","0.5","","Wu, Jia-Rui; Li, Bao; Zhang, Jiang-Wei; Yang, Ying-Wei","Semi-Rigid Molecular-Clip-Based Molecular Crystal Gearshift.","ACS applied materials & interfaces","2019","11","1","998","1003","10.1021/acsami.8b20108","","","0.71073","MoKα","","0.1311","0.0962","","","0.2634","0.2916","","","","","","1.068","","","","has coordinates","225597","2020-10-21","18:00:00",""
"4515444","9.2582","0.001","10.8655","0.0011","14.1818","0.0013","95.074","0.004","101.207","0.004","109.104","0.004","1304.4","0.2","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C60 H64 O12 -","- C60 H64 O12 -","- C60 H64 O12 -","1","0.5","","Wu, Jia-Rui; Li, Bao; Zhang, Jiang-Wei; Yang, Ying-Wei","Semi-Rigid Molecular-Clip-Based Molecular Crystal Gearshift.","ACS applied materials & interfaces","2019","11","1","998","1003","10.1021/acsami.8b20108","","","0.71073","MoKα","","0.0848","0.0737","","","0.1465","0.1646","","","","","","1.218","","","","has coordinates","225598","2020-10-21","18:00:00",""
"4515445","14.4791","0.0017","13.0125","0.0013","16.8365","0.0017","90","","109.243","0.004","90","","2994.9","0.6","196","2","196.4","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 O8 -","- C30 H36 O8 -","- C120 H144 O32 -","4","1","","Wu, Jia-Rui; Li, Bao; Zhang, Jiang-Wei; Yang, Ying-Wei","Semi-Rigid Molecular-Clip-Based Molecular Crystal Gearshift.","ACS applied materials & interfaces","2019","11","1","998","1003","10.1021/acsami.8b20108","","","0.71073","MoKα","","0.1009","0.0717","","","0.1424","0.1824","","","","","","1.16","","","","has coordinates","225599","2020-10-21","18:00:00",""
"4515446","8.026","0.002","11.441","0.004","15.479","0.005","81.581","0.011","84.627","0.011","86.239","0.01","1397.9","0.8","273","","273","","","","","","","","","4","P -1","-P 1","2","","","","- C60 H64 I2 O12 -","- C60 H64 I2 O12 -","- C60 H64 I2 O12 -","1","0.5","","Wu, Jia-Rui; Li, Bao; Zhang, Jiang-Wei; Yang, Ying-Wei","Semi-Rigid Molecular-Clip-Based Molecular Crystal Gearshift.","ACS applied materials & interfaces","2019","11","1","998","1003","10.1021/acsami.8b20108","","","0.71076","MoKα","","0.1158","0.1017","","","0.3522","0.368","","","","","","1.137","","","","has coordinates","225600","2020-10-21","18:00:00",""
"4515447","16.3087","0.0008","16.3087","0.0008","6.4947","0.0003","90","","90","","90","","1727.42","0.14","120","","120","","","","","","","","","6","P 42/n m c :2","-P 4ac 2a","137","","","","- C6 H3 Cd N2 Na O4 -","- C6 H3 Cd N2 Na O4 -","- C48 H24 Cd8 N16 Na8 O32 -","8","0.5","","Liu, Ruilan; Liu, Yaru; Yu, Shihang; Yang, Chenglin; Li, Zifeng; Li, Gang","A Highly Proton-Conductive 3D Ionic Cadmium-Organic Framework for Ammonia and Amines Impedance Sensing.","ACS applied materials & interfaces","2019","11","1","1713","1722","10.1021/acsami.8b18891","","","0.71073","MoKα","","0.0501","0.0442","","","0.1104","0.1145","","","","","","1.147","","","","has coordinates,has disorder","225601","2020-10-21","18:00:00",""
"4515448","6.3029","0.0008","6.3029","0.0008","6.3029","0.0008","90","","90","","90","","250.39","0.06","293","2","293","2","","","","","","","","5","P -4 3 m","P -4 2 3","215","","","","- C H5 I3 N Pb -","- C0.9996 H5.0002 I3 N0.9996 Pb -","- C0.9996 H5.0002 I3 N0.9996 Pb -","1","0.0416667","","Shao, Feng; Qin, Peng; Wang, Dong; Zhang, Guoqing; Wu, Bo; He, Jianqiao; Peng, Wei; Sum, Tze Chien; Wang, Deliang; Huang, Fuqiang","Enhanced Photovoltaic Performance and Thermal Stability of CH<sub>3</sub>NH<sub>3</sub>PbI<sub>3</sub> Perovskite through Lattice Symmetrization.","ACS applied materials & interfaces","2019","11","1","740","746","10.1021/acsami.8b17068","","","0.71073","MoKα","","0.0153","0.0153","","","0.035","0.035","","","","","","1.173","","","","has coordinates","225602","2020-10-21","18:00:00",""
"4515449","16.6968","0.0009","16.6968","0.0009","18.9684","0.001","90","","90","","120","","4579.6","0.4","200","2","200","2","","","","","","","","6","P 63 m c","P 6c -2c","186","","","","- C45 H30 Br Co3 N15 O7 -","- C45 H30 Br1.0002 Co3 N15 O7 -","- C90 H60 Br2.0004 Co6 N30 O14 -","2","0.166667","","Brunet, Gabriel; Robeyns, Koen; Huynh, Racheal P. S.; Lin, Jian-Bin; Collins, Sean P.; Facey, Glenn A.; Shimizu, George K. H.; Woo, Tom K.; Murugesu, Muralee","Design Strategy for the Controlled Generation of Cationic Frameworks and Ensuing Anion-Exchange Capabilities.","ACS applied materials & interfaces","2019","11","3","3181","3188","10.1021/acsami.8b15946","","","0.71073","MoKα","","0.0469","0.0368","","","0.0941","0.0988","","","","","","1.004","","","","has coordinates,has disorder","225603","2020-10-21","18:00:00",""
"4515450","16.8384","0.001","16.8384","0.001","19.0516","0.0013","90","","90","","120","","4678","0.5","200","2","200","2","","","","","","","","6","P 63 m c","P 6c -2c","186","","","","- C46 H30 Co3 N16 O7 S -","- C46.002 H30 Co3 N16.002 O7 S1.001 -","- C92.004 H60 Co6 N32.004 O14 S2.002 -","2","0.166667","","Brunet, Gabriel; Robeyns, Koen; Huynh, Racheal P. S.; Lin, Jian-Bin; Collins, Sean P.; Facey, Glenn A.; Shimizu, George K. H.; Woo, Tom K.; Murugesu, Muralee","Design Strategy for the Controlled Generation of Cationic Frameworks and Ensuing Anion-Exchange Capabilities.","ACS applied materials & interfaces","2019","11","3","3181","3188","10.1021/acsami.8b15946","","","0.71073","MoKα","","0.0754","0.0644","","","0.1459","0.1539","","","","","","1.072","","","","has coordinates,has disorder","225604","2020-10-21","18:00:00",""
"4515451","16.7567","0.0005","16.7567","0.0005","19.0343","0.0007","90","","90","","120","","4628.5","0.3","200","2","200","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C45 H30 Co3 N16 O10 -","- C45 H30 Co3 N16.0002 O10.0006 -","- C90 H60 Co6 N32.0004 O20.0012 -","2","0.166667","","Brunet, Gabriel; Robeyns, Koen; Huynh, Racheal P. S.; Lin, Jian-Bin; Collins, Sean P.; Facey, Glenn A.; Shimizu, George K. H.; Woo, Tom K.; Murugesu, Muralee","Design Strategy for the Controlled Generation of Cationic Frameworks and Ensuing Anion-Exchange Capabilities.","ACS applied materials & interfaces","2019","11","3","3181","3188","10.1021/acsami.8b15946","","","0.71073","MoKα","","0.048","0.0404","","","0.088","0.0923","","","","","","1.045","","","","has coordinates,has disorder","225605","2020-10-21","18:00:00",""
"4515452","16.7599","0.0005","16.7599","0.0005","29.0651","0.0009","90","","90","","120","","7070.4","0.4","200","2","200","2","","","","","","","","7","P 63 m c","P 6c -2c","186","","","","- C63 H42 B Co3 F4 N15 O7 -","- C67.23 H42 B Co3 F4 N15 O7 -","- C134.46 H84 B2 Co6 F8 N30 O14 -","2","0.166667","","Brunet, Gabriel; Robeyns, Koen; Huynh, Racheal P. S.; Lin, Jian-Bin; Collins, Sean P.; Facey, Glenn A.; Shimizu, George K. H.; Woo, Tom K.; Murugesu, Muralee","Design Strategy for the Controlled Generation of Cationic Frameworks and Ensuing Anion-Exchange Capabilities.","ACS applied materials & interfaces","2019","11","3","3181","3188","10.1021/acsami.8b15946","","","0.71073","MoKα","","0.0551","0.0501","","","0.1168","0.1188","","","","","","1.103","","","","has coordinates,has disorder","225606","2020-10-21","18:00:00",""
"4515453","16.6267","0.0003","16.6267","0.0003","28.9795","0.0007","90","","90","","120","","6938","0.2","200","2","200","2","","","","","","","","5","P 63 m c","P 6c -2c","186","","","","- C63 H42 Co3 N16 O10 -","- C63 H42 Co3 N16.0002 O10.0006 -","- C126 H84 Co6 N32.0004 O20.0012 -","2","0.166667","","Brunet, Gabriel; Robeyns, Koen; Huynh, Racheal P. S.; Lin, Jian-Bin; Collins, Sean P.; Facey, Glenn A.; Shimizu, George K. H.; Woo, Tom K.; Murugesu, Muralee","Design Strategy for the Controlled Generation of Cationic Frameworks and Ensuing Anion-Exchange Capabilities.","ACS applied materials & interfaces","2019","11","3","3181","3188","10.1021/acsami.8b15946","","","0.71073","MoKα","","0.0333","0.0329","","","0.0715","0.0717","","","","","","1.033","","","","has coordinates,has disorder","225607","2020-10-21","18:00:00",""
"4515454","16.6264","0.0007","16.6264","0.0007","24.25","0.0013","90","","90","","120","","5805.5","0.5","200","2","200","2","","","","","","","","5","P 3 1 c","P 3 -2c","159","","","","- C57 H36 Co3 N15 O7 -","- C57 H36 Co3 N15 O7 -","- C114 H72 Co6 N30 O14 -","2","0.333333","","Brunet, Gabriel; Robeyns, Koen; Huynh, Racheal P. S.; Lin, Jian-Bin; Collins, Sean P.; Facey, Glenn A.; Shimizu, George K. H.; Woo, Tom K.; Murugesu, Muralee","Design Strategy for the Controlled Generation of Cationic Frameworks and Ensuing Anion-Exchange Capabilities.","ACS applied materials & interfaces","2019","11","3","3181","3188","10.1021/acsami.8b15946","","","0.71073","MoKα","","0.0795","0.0517","","","0.1344","0.1491","","","","","","1.004","","","","has coordinates,has disorder","225608","2020-10-21","18:00:00",""
"4515455","16.6138","0.0008","16.6138","0.0008","24.2258","0.0012","90","","90","","120","","5790.9","0.5","200","2","200","2","","","","","","","","6","P 3 1 c","P 3 -2c","159","","","","- C57 H36 Cl Co3 N15 O11 -","- C57 H36 Cl Co3 N15 O10.9996 -","- C114 H72 Cl2 Co6 N30 O21.9992 -","2","0.333333","","Brunet, Gabriel; Robeyns, Koen; Huynh, Racheal P. S.; Lin, Jian-Bin; Collins, Sean P.; Facey, Glenn A.; Shimizu, George K. H.; Woo, Tom K.; Murugesu, Muralee","Design Strategy for the Controlled Generation of Cationic Frameworks and Ensuing Anion-Exchange Capabilities.","ACS applied materials & interfaces","2019","11","3","3181","3188","10.1021/acsami.8b15946","","","0.71073","MoKα","","0.0945","0.0587","","","0.1499","0.179","","","","","","1.045","","","","has coordinates,has disorder","225609","2020-10-21","18:00:00",""
"4516229","9.11","0.05","20.33","0.05","10.32","0.05","90","","97.43","0.05","90","","1895","15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Cl5 N6 Sb -","- C10 H16 Cl5 N6 Sb -","- C40 H64 Cl20 N24 Sb4 -","4","1","","Fredj, Donia; Alkarsifi, Riva; Pourcin, Florent; Liu, Xianjie; Boudjada, Nassira Chniba; Pierron, Pascal; Nourdine, Ali; Boujelbene, Mohamed; Fahlman, Mats; Videlot-Ackermann, Christine; Flandin, Lionel; Ben Dkhil, Sadok; Margeat, Olivier; Ackermann, Jörg","New Antimony-Based Organic-Inorganic Hybrid Material as Electron Extraction Layer for Efficient and Stable Polymer Solar Cells.","ACS applied materials & interfaces","2019","11","47","44820","44828","10.1021/acsami.9b12409","","","0.71073","MoKα","","0.0498","0.0382","","","0.1232","0.1381","","","","","","0.709","","","","has coordinates","246529","2020-10-21","18:00:00",""
"4516653","23.201","0.003","23.201","0.003","21.302","0.004","90","","90","","120","","9930","3","293","2","293","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C78 H84 N4 -","- C78 H84 N4 -","- C468 H504 N24 -","6","0.333333","","Song, Xiaozeng; Zhang, Dongdong; Li, Haoyuan; Cai, Minghan; Huang, Tianyu; Duan, Lian","Exciplex System with Increased Donor-Acceptor Distance as the Sensitizing Host for Conventional Fluorescent OLEDs with High Efficiency and Extremely Low Roll-Off.","ACS applied materials & interfaces","2019","11","25","22595","22602","10.1021/acsami.9b05963","","","0.71073","MoKα","","0.1144","0.1075","","","0.2998","0.3111","","","","","","1.242","","","","has coordinates,has disorder","239430","2020-10-21","18:00:00",""
"4517298","34.4562","0.0007","34.4562","0.0007","38.796","0.0005","90","","90","","120","","39888.9","1.3","296","2","296.15","","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C126 H60 N6 O55 Zn14 -","- C126 H60 N6 O55 Zn14 -","- C1134 H540 N54 O495 Zn126 -","9","0.25","","Wu, Yun-Long; Yang, Guo-Ping; Cheng, Shan; Qian, Jinjie; Fan, Daidi; Wang, Yao-Yu","Facile Incorporation of Au Nanoparticles into an Unusual Twofold Entangled Zn(II)-MOF with Nanocages for Highly Efficient CO<sub>2</sub> Fixation under Mild Conditions.","ACS applied materials & interfaces","2019","11","50","47437","47445","10.1021/acsami.9b17348","","","0.71073","MoKα","","0.1321","0.0986","","","0.3135","0.3435","","","","","","1.301","","","","has coordinates,has disorder","246474","2020-10-21","18:00:00",""
"4517299","20.2634","0.0002","8.05923","0.0001","15.99977","0.00018","90","","99.033","0.0006","90","","2580.48","0.05","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H8 Cl2 N4 -","- C15 H8 Cl2 N4 -","- C120 H64 Cl16 N32 -","8","1","","Gao, Weichen; Su, Yan; Wang, Zhonghao; Zhang, Yongfeng; Zhang, Dan; Jia, Peng; Yang, Chaolong; Li, Youbing; Ganguly, Rakesh; Zhao, Yanli","Effect of Carbazolyl Groups on Photophysical Properties of Cyanuric Chloride.","ACS applied materials & interfaces","2019","11","50","47162","47169","10.1021/acsami.9b17554","","","1.54178","CuKα","","0.0379","0.0362","","","0.0966","0.098","","","","","","1.063","","","","has coordinates","246475","2020-10-21","18:00:00",""
"4517300","22.4205","0.0004","3.8584","0.00007","46.0494","0.0008","90","","90","","90","","3983.61","0.12","103","2","103","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C27 H16 Cl N5 -","- C27 H16 Cl N5 -","- C216 H128 Cl8 N40 -","8","2","","Gao, Weichen; Su, Yan; Wang, Zhonghao; Zhang, Yongfeng; Zhang, Dan; Jia, Peng; Yang, Chaolong; Li, Youbing; Ganguly, Rakesh; Zhao, Yanli","Effect of Carbazolyl Groups on Photophysical Properties of Cyanuric Chloride.","ACS applied materials & interfaces","2019","11","50","47162","47169","10.1021/acsami.9b17554","","","1.54178","CuKα","","0.0604","0.0594","","","0.1512","0.152","","","","","","1.094","","","","has coordinates","246477","2020-10-21","18:00:00",""
"4518430","15.2754","0.0016","28.119","0.003","10.416","0.0009","90","","90","","90","","4474","0.8","200","2","200","2","","","","","","","","7","P n a 21","P 2c -2n","33","vs_7mem_db_coord","","","- C48 H52 Cl4 N2 O Ru Si -","- C48 H52 Cl4 N2 O Ru Si -","- C192 H208 Cl16 N8 O4 Ru4 Si4 -","4","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.0463","0.0412","","","0.1194","0.1275","","","","","","1.006","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518431","13.6581","0.0008","10.7783","0.0006","30.3452","0.0016","90","","96.306","0.001","90","","4440.1","0.4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H51 Cl4 N3 O3 Ru S -","- C43 H51 Cl4 N3 O3 Ru S -","- C172 H204 Cl16 N12 O12 Ru4 S4 -","4","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.0642","0.0452","","","0.1236","0.1341","","","","","","0.987","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518432","21.747","0.007","16.485","0.005","23.171","0.008","90","","90","","90","","8307","5","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","vs_db_vs_nts_6mem","","","- C41 H47 Cl4 N3 O2 Ru S -","- C41 H47 Cl4 N3 O2 Ru S -","- C328 H376 Cl32 N24 O16 Ru8 S8 -","8","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.2258","0.0924","","","0.1899","0.2371","","","","","","1.008","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518433","11.0039","0.0007","12.6857","0.0009","20.649","0.0015","101.995","0.002","101.394","0.002","106.335","0.002","2603.1","0.3","200","2","200","2","","","","","","","","7","P -1","-P 1","2","vs_nts_db_coord2","","","- C55 H67 Cl2 N3 O6 Ru S -","- C55 H67 Cl2 N3 O6 Ru S -","- C110 H134 Cl4 N6 O12 Ru2 S2 -","2","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.0349","0.0292","","","0.0872","0.1022","","","","","","1.162","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518434","12.269","0.004","13.206","0.004","13.74","0.004","103.978","0.008","96.479","0.009","116.864","0.007","1862.7","1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H44 Cl2 Fe N2 Ru -","- C42 H49 Cl2 Fe N2 Ru -","- C84 H98 Cl4 Fe2 N4 Ru2 -","2","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.174","0.152","","","0.3805","0.3911","","","","","","2.544","","","","has coordinates,has disorder","262439","2021-03-04","02:51:52",""
"4518435","12.58","0.003","13.814","0.004","19.537","0.005","90.61","0.009","105.904","0.008","113.609","0.008","2963.8","1.4","200","2","200","2","","","","","","","","7","P -1","-P 1","2","vs_gh_2","","","- C59 H75 Cl4 N3 O7 Ru S -","- C59 H75 Cl4 N3 O7 Ru S -","- C118 H150 Cl8 N6 O14 Ru2 S2 -","2","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.1357","0.0872","","","0.2108","0.2415","","","","","","1.203","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518436","11.6701","0.0009","29.6716","0.0019","13.7738","0.001","90","","93.446","0.002","90","","4760.8","0.6","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H51 Cl2 N4 O4 Ru S2 -","- C48 H51 Cl2 N4 O4 Ru S2 -","- C192 H204 Cl8 N16 O16 Ru4 S8 -","4","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.1189","0.0708","","","0.1658","0.184","","","","","","1.126","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518437","10.2526","0.0009","12.923","0.0013","14.9304","0.0015","75.27","0.003","77.074","0.003","87.61","0.003","1864.5","0.3","200","2","200.15","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H52 Cl2 N2 O Ru -","- C41 H52 Cl2 N2 O Ru -","- C82 H104 Cl4 N4 O2 Ru2 -","2","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.0403","0.0346","","","0.0999","0.1068","","","","","","1.087","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518438","8.471","0.002","26.951","0.008","18.341","0.006","90","","97.843","0.009","90","","4148","2","300","2","300","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","venkata_Ru_Ts_coordination","","","- C40 H45 Cl4 N3 O2 Ru S -","- C40 H45 Cl4 N3 O2 Ru S -","- C160 H180 Cl16 N12 O8 Ru4 S4 -","4","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.2783","0.1342","","","0.2586","0.3254","","","","","","1.248","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518439","15.3127","0.0015","13.8064","0.0011","22.985","0.002","90","","91.3","0.003","90","","4858.1","0.7","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","vs_db_coord_6","","","- C46 H55 Cl6 N3 O2 Ru S -","- C46 H55 Cl6 N3 O2 Ru S -","- C184 H220 Cl24 N12 O8 Ru4 S4 -","4","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.0711","0.053","","","0.1488","0.1696","","","","","","1.088","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518440","13.3662","0.0008","19.3514","0.0012","18.2778","0.0011","90","","107.451","0.002","90","","4510","0.5","300","2","300","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H51 Cl4 N3 O3 Ru S -","- C43 H52 Cl4 N3 O3 Ru S -","- C172 H208 Cl16 N12 O12 Ru4 S4 -","4","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.076","0.0579","","","0.1743","0.1901","","","","","","1.354","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518441","19.5436","0.0012","16.2686","0.001","25.2292","0.0014","90","","92.134","0.002","90","","8016","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C75 H78 Cl10 N6 O4 Ru2 -","- C75 H78 Cl10 N6 O4 Ru2 -","- C300 H312 Cl40 N24 O16 Ru8 -","4","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.199","0.1476","","","0.31","0.3245","","","","","","1.879","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518442","11.9816","0.001","10.5576","0.0007","13.8098","0.0012","90","","93.972","0.003","90","","1742.7","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","vs_Ru_db_coord2","","","- C38 H46 Cl2 N2 Ru -","- C38 H46 Cl2 N2 Ru -","- C76 H92 Cl4 N4 Ru2 -","2","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.0437","0.0358","","","0.0995","0.1149","","","","","","0.599","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518443","10.9001","0.0007","16.3943","0.001","21.6403","0.0014","90","","98.664","0.002","90","","3823","0.4","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H42 Cl2 N3 O3 Ru S -","- C41 H42 Cl2 N3 O3 Ru S -","- C164 H168 Cl8 N12 O12 Ru4 S4 -","4","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.097","0.0497","","","0.1174","0.1417","","","","","","0.901","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518444","12.6853","0.0018","12.842","0.002","32.754","0.005","90","","96.636","0.004","90","","5300","1.4","200","2","200.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H57 Cl2 N3 O3 Ru S -","- C48 H57 Cl2 N3 O3 Ru S -","- C192 H228 Cl8 N12 O12 Ru4 S4 -","4","1","","Gupta, Saswata; Sabbasani, Venkata R.; Su, Siyuan; Wink, Donald J.; Lee, Daesung","Alkene-Chelated Ruthenium Alkylidenes: A Missing Link to New Catalysts","ACS Catalysis","2021","11","4","1977","1987","10.1021/acscatal.0c04972","","","0.71073","MoKα","","0.0626","0.0543","","","0.1286","0.133","","","","","","1.103","","","","has coordinates","262439","2021-03-04","02:51:52",""
"4518468","5.591","0.0011","21.778","0.004","12.608","0.003","90","","99.18","0.03","90","","1515.5","0.6","113","2","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-pyridone","","- C18 H17 N O S2 -","- C18 H17 N O S2 -","- C72 H68 N4 O4 S8 -","4","1","","Wang, Rong-Hua; Li, Jiang-Fei; Li, Yue; Qi, Shao-Long; Zhang, Tao; Luan, Yu-Xin; Ye, Mengchun","Selective C(sp3)‒H Cleavage of Enamides for Synthesis of 2-Pyridones via Ligand-Enabled Ni‒Al Bimetallic Catalysis","ACS Catalysis","2021","11","2","858","864","10.1021/acscatal.0c04585","","","0.71073","MoKα","","0.0665","0.0517","","","0.1603","0.1787","","","","","","1.113","","","","has coordinates","261413","2021-02-03","20:26:27",""
"4518469","12.5558","0.0019","12.2352","0.0018","21.214","0.003","90","","91.478","0.005","90","","3257.9","0.8","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H40 I N3 O5 S -","- C32 H40 I N3 O5 S -","- C128 H160 I4 N12 O20 S4 -","4","2","","Zhang, Yueteng; Ji, Peng; Gao, Feng; Huang, He; Zeng, Fanxun; Wang, Wei","Photoredox Asymmetric Nucleophilic Dearomatization of Indoles with Neutral Radicals","ACS Catalysis","2021","11","2","998","1007","10.1021/acscatal.0c04696","","","0.71073","MoKα","","0.0355","0.0322","","","0.0793","0.0817","","","","","","1.043","","","","has coordinates,has disorder","261414","2021-02-03","20:26:54",""
"4518470","22.7379","0.0012","7.3689","0.0004","14.3911","0.0007","90","","91.61","0.002","90","","2410.3","0.2","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H28 N2 O5 S -","- C27 H28 N2 O5 S -","- C108 H112 N8 O20 S4 -","4","1","","Zhang, Yueteng; Ji, Peng; Gao, Feng; Huang, He; Zeng, Fanxun; Wang, Wei","Photoredox Asymmetric Nucleophilic Dearomatization of Indoles with Neutral Radicals","ACS Catalysis","2021","11","2","998","1007","10.1021/acscatal.0c04696","","","0.71073","MoKα","","0.0322","0.0301","","","0.0732","0.0747","","","","","","1.05","","","","has coordinates","261415","2021-02-03","20:27:22",""
"4518471","9.912","0.002","17.662","0.004","10.435","0.002","90","","114.281","0.002","90","","1665.2","0.6","123","2","123","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H2 B F13 -","- C19 H2 B F13 -","- C76 H8 B4 F52 -","4","1","","Nakashima, Tomoya; Nakayama, Yuushou; Shiono, Takeshi; Tanaka, Ryo","Neutral, Noncoordinating, and Hydrocarbon-Soluble Protic Cocatalyst for Olefin Polymerization","ACS Catalysis","2021","11","2","865","870","10.1021/acscatal.0c04758","","","0.71069","MoKα","","0.0374","0.0349","","","0.1134","0.1159","","","","","","1.056","","","","has coordinates","261416","2021-02-03","20:28:06",""
"4518472","16.0009","0.0012","4.7685","0.0004","16.6499","0.0012","90","","116.991","0.0008","90","","1132.02","0.15","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H3 B F8 O -","- C13 H3 B F8 O -","- C52 H12 B4 F32 O4 -","4","1","","Nakashima, Tomoya; Nakayama, Yuushou; Shiono, Takeshi; Tanaka, Ryo","Neutral, Noncoordinating, and Hydrocarbon-Soluble Protic Cocatalyst for Olefin Polymerization","ACS Catalysis","2021","11","2","865","870","10.1021/acscatal.0c04758","","","0.71069","MoKα","","0.0374","0.0329","","","0.0934","0.0981","","","","","","1.059","","","","has coordinates","261416","2021-02-03","20:28:07",""
"4518473","7.1648","0.0019","12.225","0.003","8.905","0.002","90","","110.083","0.003","90","","732.6","0.3","123","2","123","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H8 F8 Sn -","- C15 H8 F8 Sn -","- C30 H16 F16 Sn2 -","2","0.5","","Nakashima, Tomoya; Nakayama, Yuushou; Shiono, Takeshi; Tanaka, Ryo","Neutral, Noncoordinating, and Hydrocarbon-Soluble Protic Cocatalyst for Olefin Polymerization","ACS Catalysis","2021","11","2","865","870","10.1021/acscatal.0c04758","","","0.71069","MoKα","","0.0261","0.0258","","","0.1012","0.1015","","","","","","1.163","","","","has coordinates","261416","2021-02-03","20:28:07",""
"4518514","11.657","0.002","32.375","0.006","12.033","0.002","90","","97.304","0.002","90","","4504.3","1.4","110","","110","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H45 B11 Cl11 F N2 Si Ti -","- C26 H45 B11 Cl11 F N2 Si Ti -","- C104 H180 B44 Cl44 F4 N8 Si4 Ti4 -","4","1","","Gunther, S. Olivia; Lai, Qingheng; Senecal, Todd; Huacuja, Rafael; Bremer, Sean; Pearson, David M.; DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V.; Klosin, Jerzy","Highly Efficient Carborane-Based Activators for Molecular Olefin Polymerization Catalysts","ACS Catalysis","2021","11","6","3335","3342","10.1021/acscatal.0c04228","","","0.71073","MoKα","","0.0558","0.0456","","","0.0886","0.0983","","","","","","1.198","","","","has coordinates,has disorder","263578","2021-04-04","09:57:33",""
"4518515","12.1095","0.0013","15.0642","0.0017","17.4165","0.0019","83.88","0.001","75.362","0.001","85.783","0.001","3052.9","0.6","110","","110","","","","","","","","","8","P -1","-P 1","2","","","","- C40 H69 B11 Cl11 F N2 Si2 Ti2 -","- C40 H69 B11 Cl11 F N2 Si2 Ti2 -","- C80 H138 B22 Cl22 F2 N4 Si4 Ti4 -","2","1","","Gunther, S. Olivia; Lai, Qingheng; Senecal, Todd; Huacuja, Rafael; Bremer, Sean; Pearson, David M.; DeMott, Jessica C.; Bhuvanesh, Nattamai; Ozerov, Oleg V.; Klosin, Jerzy","Highly Efficient Carborane-Based Activators for Molecular Olefin Polymerization Catalysts","ACS Catalysis","2021","11","6","3335","3342","10.1021/acscatal.0c04228","","","0.71073","MoKα","","0.0493","0.0332","","","0.0725","0.0829","","","","","","1.068","","","","has coordinates","263578","2021-04-04","09:57:33",""
"4518524","28.027","0.002","10.1457","0.0007","12.2742","0.0009","90","","114.564","0.001","90","","3174.3","0.4","298","2","298.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","CHTosMe","","","- C15 H22 N2 O2 S -","- C15 H22 N2 O2 S -","- C120 H176 N16 O16 S8 -","8","1","","Coin, Guillaume; Dubourdeaux, Patrick; Avenier, Frédéric; Patra, Ranjan; Castro, Ludovic; Lebrun, Colette; Bayle, Pierre-Alain; Pécaut, Jacques; Blondin, Geneviève; Maldivi, Pascale; Latour, Jean-Marc","Experiments and DFT Computations Combine to Decipher Fe-Catalyzed Amidine Synthesis through Nitrene Transfer and Nitrile Insertion","ACS Catalysis","2021","11","4","2253","2266","10.1021/acscatal.0c03791","","","0.71073","MoKα","","0.0665","0.0384","","","0.1003","0.1081","","","","","","0.925","","","","has coordinates","262409","2021-03-03","20:35:29",""
"4518525","10.30461","0.00016","7.07541","0.00011","13.213","0.0002","90","","92.0022","0.0014","90","","962.76","0.03","240","0.1","240","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N O2 -","- C22 H27 N O2 -","- C44 H54 N2 O4 -","2","1","","Wu, Liexin; Xu, Huiying; Gao, Hui; Li, Liping; Chen, Weijie; Zhou, Zhi; Yi, Wei","Chiral Allylic Amine Synthesis Enabled by the Enantioselective CpXRh(III)-Catalyzed Carboaminations of 1,3-Dienes","ACS Catalysis","2021","11","4","2279","2287","10.1021/acscatal.0c04777","","x-ray","1.54184","CuKα","","0.0333","0.0324","","","0.0892","0.0905","","","","","","1.03","","","","has coordinates","262410","2021-03-03","20:37:47",""
"4518526","12.9092","0.0008","22.3669","0.0012","18.0189","0.0011","90","","101.288","0.002","90","","5102.1","0.5","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[(TpAd,iPr)Ca(o-MeO-C6H3-Br-p)]","","","- C55 H76 B Br Ca N6 O -","- C55 H76 B Br Ca N6 O -","- C220 H304 B4 Br4 Ca4 N24 O4 -","4","1","","Zhao, Lanxiao; Shi, Xianghui; Cheng, Jianhua","Calcium-Catalyzed Dehydrogenative Silylation of Aromatic Ethers with Hydrosilane","ACS Catalysis","2021","11","4","2041","2046","10.1021/acscatal.0c05440","","","0.71073","MoKα","","0.0716","0.0581","","","0.1509","0.1608","","","","","","1.046","","","","has coordinates","262411","2021-03-03","20:38:30",""
"4518527","13.0462","0.0007","21.9662","0.0009","17.99","0.0009","90","","104.112","0.002","90","","4999.9","0.4","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[(TpAd,iPr)Ca(o-MeO-CH2C6H4)]","","","- C56 H79 B Ca N6 O -","- C56 H79 B Ca N6 O -","- C224 H316 B4 Ca4 N24 O4 -","4","1","","Zhao, Lanxiao; Shi, Xianghui; Cheng, Jianhua","Calcium-Catalyzed Dehydrogenative Silylation of Aromatic Ethers with Hydrosilane","ACS Catalysis","2021","11","4","2041","2046","10.1021/acscatal.0c05440","","","0.71073","MoKα","","0.0809","0.059","","","0.1388","0.1562","","","","","","1.028","","","","has coordinates,has disorder","262411","2021-03-03","20:38:31",""
"4518533","12.771","0.0006","12.1463","0.0005","9.6862","0.0004","90","","92.048","0.004","90","","1501.57","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 N2 O -","- C15 H22 N2 O -","- C60 H88 N8 O4 -","4","1","","Yi, Ming-Jun; Zhang, Huan-Xin; Xiao, Teng-Fei; Zhang, Ji-Hua; Feng, Zhi-Tao; Wei, Li-Pu; Xu, Guo-Qiang; Xu, Peng-Fei","Photoinduced Metal-Free α-C(sp3)‒H Carbamoylation of Saturated Aza-Heterocycles via Rationally Designed Organic Photocatalyst","ACS Catalysis","2021","11","6","3466","3472","10.1021/acscatal.1c00242","","x-ray","1.54184","CuKα","","0.0646","0.0475","","","0.1288","0.1428","","","","","","1.043","","","","has coordinates","263580","2021-04-04","09:57:46",""
"4518535","8.3926","0.0004","23.5709","0.0011","14.3271","0.0007","90","","92.6796","0.0014","90","","2831.1","0.2","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H47 Cl N O3 P S -","- C25 H47 Cl N O3 P S -","- C100 H188 Cl4 N4 O12 P4 S4 -","4","1","","Hu, Rong-Bin; Lam, Ying-Pong; Ng, Wing-Hin; Wong, Chun-Yuen; Yeung, Ying-Yeung","Zwitterion-Induced Organic‒Metal Hybrid Catalysis in Aerobic Oxidation","ACS Catalysis","2021","11","6","3498","3506","10.1021/acscatal.0c05684","","","0.71073","MoKα","","0.0601","0.0488","","","0.1357","0.1479","","","","","","1.057","","","","has coordinates,has disorder","263576","2021-04-04","09:57:09",""
"4518536","10.4612","0.0006","6.7009","0.0003","15.9349","0.001","90","","102.822","0.006","90","","1089.17","0.11","150","2","150.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H30 O3 Si -","- C25 H30 O3 Si -","- C50 H60 O6 Si2 -","2","1","","Zhang, Liangliang; Oestreich, Martin","Diastereotopic Group-Selective Intramolecular Aldol Reactions Initiated by Enantioselective Conjugate Silylation: Diastereodivergence Controlled by the Silicon Nucleophile","ACS Catalysis","2021","11","6","3516","3522","10.1021/acscatal.1c00436","","x-ray","1.54184","CuKα","","0.0537","0.0414","","","0.0853","0.0938","","","","","","1.061","","","","has coordinates","263579","2021-04-04","09:57:40",""
"4518544","22.5321","0.0006","8.3857","0.0002","22.2758","0.0005","90","","100.736","0.003","90","","4135.28","0.18","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H24 Br N O3 S -","- C22 H24 Br N O3 S -","- C176 H192 Br8 N8 O24 S8 -","8","1","","Qi, Lin-Jun; Shi, Chong-Yang; Chen, Peng-Fei; Li, Long; Fang, Gang; Qian, Peng-Cheng; Deng, Chao; Zhou, Jin-Mei; Ye, Long-Wu","Gold-Catalyzed 1,1-Carboalkoxylation of Oxetane-Ynamides via Exocyclic Metal Carbenes: Divergent and Atom-Economical Synthesis of Tricyclic N-Heterocycles","ACS Catalysis","2021","11","6","3679","3686","10.1021/acscatal.1c00461","","x-ray","1.54184","CuKα","","0.0524","0.0471","","","0.1216","0.1285","","","","","","1.035","","","","has coordinates","263581","2021-04-04","09:57:58",""
"4518545","8.3815","0.0002","16.1769","0.0003","28.5494","0.0006","90","","90","","90","","3870.92","0.14","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 Br2 N2 O6 S2 -","- C40 H40 Br2 N2 O6 S2 -","- C160 H160 Br8 N8 O24 S8 -","4","1","","Qi, Lin-Jun; Shi, Chong-Yang; Chen, Peng-Fei; Li, Long; Fang, Gang; Qian, Peng-Cheng; Deng, Chao; Zhou, Jin-Mei; Ye, Long-Wu","Gold-Catalyzed 1,1-Carboalkoxylation of Oxetane-Ynamides via Exocyclic Metal Carbenes: Divergent and Atom-Economical Synthesis of Tricyclic N-Heterocycles","ACS Catalysis","2021","11","6","3679","3686","10.1021/acscatal.1c00461","","x-ray","1.54184","CuKα","","0.0602","0.052","","","0.138","0.1704","","","","","","1.111","","","","has coordinates","263581","2021-04-04","09:57:58",""
"4518546","6.923","0.003","21.697","0.01","15.616","0.008","90","","90","","90","","2345.7","1.9","273","2","273","2","","","","","","","","4","C 2 e b","C -2ac 2","41","","","","- C17 H13 N O -","- C17 H13 N O -","- C136 H104 N8 O8 -","8","1","","Qi, Lin-Jun; Shi, Chong-Yang; Chen, Peng-Fei; Li, Long; Fang, Gang; Qian, Peng-Cheng; Deng, Chao; Zhou, Jin-Mei; Ye, Long-Wu","Gold-Catalyzed 1,1-Carboalkoxylation of Oxetane-Ynamides via Exocyclic Metal Carbenes: Divergent and Atom-Economical Synthesis of Tricyclic N-Heterocycles","ACS Catalysis","2021","11","6","3679","3686","10.1021/acscatal.1c00461","","","0.71073","MoKα","","0.1445","0.0868","","","0.1951","0.2354","","","","","","1.071","","","","has coordinates,has disorder","263581","2021-04-04","09:57:58",""
"4518548","9.0104","0.0006","16.6022","0.001","18.9828","0.0011","90","","90","","90","","2839.7","0.3","150","","150.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","z","","- C32 H33 N O5 S2 -","- C32 H33 N O5 S2 -","- C128 H132 N4 O20 S8 -","4","1","","Zhang, Yuanyuan; Liang, Yaoyu; Zhao, Xiaodan","Chiral Selenide-Catalyzed, Highly Regio- and Enantioselective Intermolecular Thioarylation of Alkenes with Phenols","ACS Catalysis","2021","11","6","3755","3761","10.1021/acscatal.1c00296","","","1.34138","GaKα","","0.0414","0.0359","","","0.0902","0.0924","","","","","","1.091","","","","has coordinates","263577","2021-04-04","09:57:20",""
"4518561","10.5311","0.0003","12.1035","0.0003","14.8941","0.0004","90","","100.65","0.003","90","","1865.75","0.09","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H61 Al N2 O3 -","- C38 H61 Al N2 O3 -","- C76 H122 Al2 N4 O6 -","2","1","","Gesslbauer, Sami; Hutchinson, George; White, Andrew J. P.; Burés, Jordi; Romain, Charles","Chirality-Induced Catalyst Aggregation: Insights into Catalyst Speciation and Activity Using Chiral Aluminum Catalysts in Cyclic Ester Ring-Opening Polymerization","ACS Catalysis","2021","11","7","4084","4093","10.1021/acscatal.0c05245","","","1.54184","CuKα","","0.0551","0.0432","","","0.0932","0.1056","","","","","","1.034","","","","has coordinates,has disorder","263582","2021-04-04","09:58:09",""
"4518562","14.2817","0.0003","19.6139","0.0002","16.3139","0.0003","90","","112.131","0.002","90","","4233.16","0.14","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C87 H124 Al2 N4 O6 -","- C87 H124 Al2 N4 O6 -","- C174 H248 Al4 N8 O12 -","2","1","","Gesslbauer, Sami; Hutchinson, George; White, Andrew J. P.; Burés, Jordi; Romain, Charles","Chirality-Induced Catalyst Aggregation: Insights into Catalyst Speciation and Activity Using Chiral Aluminum Catalysts in Cyclic Ester Ring-Opening Polymerization","ACS Catalysis","2021","11","7","4084","4093","10.1021/acscatal.0c05245","","","1.54184","CuKα","","0.0631","0.0555","","","0.1442","0.1582","","","","","","1.036","","","","has coordinates,has disorder","263582","2021-04-04","09:58:09",""
"4518563","14.7009","0.0005","19.8009","0.0006","15.5738","0.0006","90","","112.532","0.004","90","","4187.3","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C83.25 H120.5 Al2 Cl2.5 N4 O6 -","- C82 H118 Al2 N4 O6 -","- C164 H236 Al4 N8 O12 -","2","0.5","","Gesslbauer, Sami; Hutchinson, George; White, Andrew J. P.; Burés, Jordi; Romain, Charles","Chirality-Induced Catalyst Aggregation: Insights into Catalyst Speciation and Activity Using Chiral Aluminum Catalysts in Cyclic Ester Ring-Opening Polymerization","ACS Catalysis","2021","11","7","4084","4093","10.1021/acscatal.0c05245","","","0.71073","MoKα","","0.1134","0.0864","","","0.2313","0.2563","","","","","","1.03","","","","has coordinates,has disorder","263582","2021-04-04","09:58:09",""
"4518564","11.7864","0.0009","12.0598","0.0008","16.8359","0.0012","90","","105.394","0.002","90","","2307.2","0.3","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 Cl2 N3 Ni P -","- C22 H30 Cl2 N3 Ni P -","- C88 H120 Cl8 N12 Ni4 P4 -","4","1","","Li, Huaifeng; Lupp, Daniel; Das, Pradip K.; Yang, Li; Gonçalves, Théo P.; Huang, Mei-Hui; El Hajoui, Marwa; Liang, Lan-Chang; Huang, Kuo-Wei","Redox-Neutral Imination of Alcohol with Azide: A Sustainable Alternative to the Staudinger/Aza-Wittig Reaction","ACS Catalysis","2021","11","7","4071","4076","10.1021/acscatal.1c00379","","","0.71073","MoKα","","0.0487","0.0379","","","0.1621","0.2046","","","","","","1.091","","","","has coordinates","263584","2021-04-04","09:58:44",""
"4518565","8.853","0.002","16.369","0.004","18.452","0.004","105.791","0.008","100.542","0.009","105.669","0.008","2380.6","1","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H32 Cl0 N3 Ni O P -","- C25 H32 N3 Ni O P -","- C100 H128 N12 Ni4 O4 P4 -","4","2","","Li, Huaifeng; Lupp, Daniel; Das, Pradip K.; Yang, Li; Gonçalves, Théo P.; Huang, Mei-Hui; El Hajoui, Marwa; Liang, Lan-Chang; Huang, Kuo-Wei","Redox-Neutral Imination of Alcohol with Azide: A Sustainable Alternative to the Staudinger/Aza-Wittig Reaction","ACS Catalysis","2021","11","7","4071","4076","10.1021/acscatal.1c00379","","","0.71073","MoKα","","0.0929","0.0471","","","0.1175","0.1405","","","","","","1.099","","","","has coordinates","263584","2021-04-04","09:58:44",""
"4518566","16.1382","0.0015","8.1442","0.0008","16.0627","0.0018","90","","118.179","0.003","90","","1860.9","0.3","120","2","119.99","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 Cl N3 Ni P -","- C18 H25 Cl N3 Ni P -","- C72 H100 Cl4 N12 Ni4 P4 -","4","1","","Li, Huaifeng; Lupp, Daniel; Das, Pradip K.; Yang, Li; Gonçalves, Théo P.; Huang, Mei-Hui; El Hajoui, Marwa; Liang, Lan-Chang; Huang, Kuo-Wei","Redox-Neutral Imination of Alcohol with Azide: A Sustainable Alternative to the Staudinger/Aza-Wittig Reaction","ACS Catalysis","2021","11","7","4071","4076","10.1021/acscatal.1c00379","","","0.71073","MoKα","","0.0576","0.0407","","","0.0903","0.0959","","","","","","1.078","","","","has coordinates","263584","2021-04-04","09:58:44",""
"4518567","14.2865","0.0015","11.363","0.0013","14.9046","0.0016","90","","109.571","0.004","90","","2279.8","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H30 Cl2 N3 Ni O P -","- C21 H30 Cl2 N3 Ni O P -","- C84 H120 Cl8 N12 Ni4 O4 P4 -","4","1","","Li, Huaifeng; Lupp, Daniel; Das, Pradip K.; Yang, Li; Gonçalves, Théo P.; Huang, Mei-Hui; El Hajoui, Marwa; Liang, Lan-Chang; Huang, Kuo-Wei","Redox-Neutral Imination of Alcohol with Azide: A Sustainable Alternative to the Staudinger/Aza-Wittig Reaction","ACS Catalysis","2021","11","7","4071","4076","10.1021/acscatal.1c00379","","","0.71073","MoKα","","0.0405","0.0378","","","0.0958","0.0981","","","","","","1.09","","","","has coordinates","263584","2021-04-04","09:58:44",""
"4518568","12.1286","0.0008","12.4385","0.0008","13.4746","0.0009","90","","95.4","0.003","90","","2023.8","0.2","136","2","136","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 Cl2 N3 Ni P -","- C18 H26 Cl2 N3 Ni P -","- C72 H104 Cl8 N12 Ni4 P4 -","4","1","","Li, Huaifeng; Lupp, Daniel; Das, Pradip K.; Yang, Li; Gonçalves, Théo P.; Huang, Mei-Hui; El Hajoui, Marwa; Liang, Lan-Chang; Huang, Kuo-Wei","Redox-Neutral Imination of Alcohol with Azide: A Sustainable Alternative to the Staudinger/Aza-Wittig Reaction","ACS Catalysis","2021","11","7","4071","4076","10.1021/acscatal.1c00379","","","0.71073","MoKα","","0.0447","0.0357","","","0.1462","0.1615","","","","","","1.028","","","","has coordinates","263584","2021-04-04","09:58:44",""
"4518571","5.836","0.0007","10.2615","0.0016","21.051","0.003","82.853","0.013","85.165","0.012","89.89","0.012","1246.4","0.3","291.51","0.1","291.51","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C27 H30 N4 O3 -","- C27 H30 N4 O3 -","- C54 H60 N8 O6 -","2","1","","Gou, Xue-Ya; Li, Yuke; Luan, Yu-Yong; Shi, Wei-Yu; Wang, Cui-Tian; An, Yang; Zhang, Bo-Sheng; Liang, Yong-Min","Ruthenium-Catalyzed Radical Cyclization/meta-Selective C‒H Alkylation of Arenes via σ-Activation Strategy","ACS Catalysis","2021","11","7","4263","4270","10.1021/acscatal.1c00359","","x-ray","1.54184","CuKα","","0.1103","0.0723","","","0.173","0.1947","","","","","","1.101","","","","has coordinates,has disorder","263583","2021-04-04","09:58:19",""
"4518572","31.7124","0.0014","6.29804","0.00019","22.6491","0.0005","90","","93.248","0.003","90","","4516.3","0.3","285.3","0.4","285.3","0.4","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H27 N3 O3 -","- C25 H27 N3 O3 -","- C200 H216 N24 O24 -","8","1","","Gou, Xue-Ya; Li, Yuke; Luan, Yu-Yong; Shi, Wei-Yu; Wang, Cui-Tian; An, Yang; Zhang, Bo-Sheng; Liang, Yong-Min","Ruthenium-Catalyzed Radical Cyclization/meta-Selective C‒H Alkylation of Arenes via σ-Activation Strategy","ACS Catalysis","2021","11","7","4263","4270","10.1021/acscatal.1c00359","","x-ray","1.54184","CuKα","","0.065","0.0555","","","0.1483","0.1555","","","","","","1.034","","","","has coordinates","263583","2021-04-04","09:58:19",""
"4518573","6.407","0.0005","11.0997","0.0012","31.594","0.004","90","","91.726","0.008","90","","2245.8","0.4","287","1","287","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 N2 O4 -","- C25 H28 N2 O4 -","- C100 H112 N8 O16 -","4","1","","Gou, Xue-Ya; Li, Yuke; Luan, Yu-Yong; Shi, Wei-Yu; Wang, Cui-Tian; An, Yang; Zhang, Bo-Sheng; Liang, Yong-Min","Ruthenium-Catalyzed Radical Cyclization/meta-Selective C‒H Alkylation of Arenes via σ-Activation Strategy","ACS Catalysis","2021","11","7","4263","4270","10.1021/acscatal.1c00359","","x-ray","1.54184","CuKα","","0.1099","0.0693","","","0.1752","0.2085","","","","","","1.088","","","","has coordinates","263583","2021-04-04","09:58:19",""
"4518597","8.8213","0.0004","10.1609","0.0004","11.288","0.0004","104.489","0.003","103.879","0.004","91.518","0.003","946.96","0.07","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H19 N3 Ni O2 -","- C24 H19 N3 Ni O2 -","- C48 H38 N6 Ni2 O4 -","2","1","","Nohira, Itsuki; Chatani, Naoto","Nickel-Catalyzed Cross-Electrophile Coupling between C(sp2)‒F and C(sp2)‒Cl Bonds by the Reaction of ortho-Fluoro-Aromatic Amides with Aryl Chlorides","ACS Catalysis","2021","11","8","4644","4649","10.1021/acscatal.1c01102","","","1.54184","CuKα","","0.0513","0.048","","","0.1334","0.137","","","","","","1.085","","","","has coordinates","264815","2021-05-04","00:47:53",""
"4518602","11.3688","0.0009","15.8213","0.0004","22.0726","0.0009","90","","90","","90","","3970.2","0.4","85","2","85","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C44 H56 N6 O -","- C44 H56 N6 O -","- C176 H224 N24 O4 -","4","1","","Hohlman, Robert M.; Newmister, Sean A.; Sanders, Jacob N.; Khatri, Yogan; Li, Shasha; Keramati, Nikki R.; Lowell, Andrew N.; Houk, K. N.; Sherman, David H.","Structural Diversification of Hapalindole and Fischerindole Natural Products via Cascade Biocatalysis","ACS Catalysis","2021","11","8","4670","4681","10.1021/acscatal.0c05656","","","1.54184","CuKα","","0.1088","0.0874","","","0.2313","0.2539","","","","","","1.017","","","","has coordinates,has disorder","264816","2021-05-04","00:48:03",""
"4518675","13.737","0.003","14.478","0.003","22.319","0.005","79.86","0.03","77.01","0.03","76.01","0.03","4162.1","1.7","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 N O -","- C26 H29 N O -","- C208 H232 N8 O8 -","8","4","","Yin, Ge; Li, Yue; Wang, Rong-Hua; Li, Jiang-Fei; Xu, Xue-Tao; Luan, Yu-Xin; Ye, Mengchun","Ligand-Controlled Ni(0)‒Al(III) Bimetal-Catalyzed C3‒H Alkenylation of 2-Pyridones by Reversing Conventional Selectivity","ACS Catalysis","2021","11","8","4606","4612","10.1021/acscatal.1c00750","","","0.71073","MoKα","","0.0999","0.0717","","","0.1892","0.2149","","","","","","1.097","","","","has coordinates","264792","2021-05-03","19:25:15",""
"4518676","8.38863","0.00008","11.45356","0.0001","24.7725","0.0002","90","","90","","90","","2380.13","0.04","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 F3 N O4 Si -","- C22 H28 F3 N O4 Si -","- C88 H112 F12 N4 O16 Si4 -","4","1","","Dong, Kuiyong; Zheng, Haifeng; Su, Yongliang; Humeidi, Ahmad; Arman, Hadi; Xu, Xinfang; Doyle, Michael P.","Catalyst-Directed Divergent Catalytic Approaches to Expand Structural and Functional Scaffold Diversity via Metallo-Enolcarbene Intermediates","ACS Catalysis","2021","11","8","4712","4721","10.1021/acscatal.1c01051","","x-ray","1.54184","CuKα","","0.0329","0.0311","","","0.078","0.0797","","","","","","0.972","","","","has coordinates","264793","2021-05-03","19:25:39",""
"4518677","11.3628","0.0001","14.9417","0.0001","32.8659","0.0003","90","","90","","90","","5579.96","0.08","99.99","0.1","99.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H38 Br N O4 Si -","- C26 H38 Br N O4 Si -","- C208 H304 Br8 N8 O32 Si8 -","8","2","","Dong, Kuiyong; Zheng, Haifeng; Su, Yongliang; Humeidi, Ahmad; Arman, Hadi; Xu, Xinfang; Doyle, Michael P.","Catalyst-Directed Divergent Catalytic Approaches to Expand Structural and Functional Scaffold Diversity via Metallo-Enolcarbene Intermediates","ACS Catalysis","2021","11","8","4712","4721","10.1021/acscatal.1c01051","","x-ray","1.54184","CuKα","","0.0297","0.0285","","","0.0717","0.0726","","","","","","1.007","","","","has coordinates","264794","2021-05-03","19:26:06",""
"4518678","14.5798","0.0005","9.6574","0.0003","15.0886","0.0005","90","","115.724","0.001","90","","1913.97","0.11","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 Cl F N -","- C22 H23 Cl F N -","- C88 H92 Cl4 F4 N4 -","4","1","","Taeufer, Tobias; Hauptmann, Richy; El-Hage, Firas; Mayer, Thea S.; Jiao, Haijun; Rabeah, Jabor; Pospech, Jola","Pyrimidopteridine-Catalyzed Hydroamination of Stilbenes with Primary Amines: A Dual Photoredox and Hydrogen Atom Transfer Catalyst","ACS Catalysis","2021","11","8","4862","4869","10.1021/acscatal.0c05540","","","0.71073","MoKα","","0.0394","0.0342","","","0.088","0.0932","","","","","","1.037","","","","has coordinates","264795","2021-05-03","19:26:29",""
"4518679","6.4598","0.0002","13.9948","0.0003","21.6147","0.0005","90","","90","","90","","1954.05","0.09","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 Cl N -","- C22 H24 Cl N -","- C88 H96 Cl4 N4 -","4","1","","Taeufer, Tobias; Hauptmann, Richy; El-Hage, Firas; Mayer, Thea S.; Jiao, Haijun; Rabeah, Jabor; Pospech, Jola","Pyrimidopteridine-Catalyzed Hydroamination of Stilbenes with Primary Amines: A Dual Photoredox and Hydrogen Atom Transfer Catalyst","ACS Catalysis","2021","11","8","4862","4869","10.1021/acscatal.0c05540","","","1.54178","CuKα","","0.0352","0.0336","","","0.0873","0.0886","","","","","","1.06","","","","has coordinates","264796","2021-05-03","19:26:53",""
"4518680","19.1956","0.0005","5.6975","0.0002","16.7242","0.0004","90","","114.44","0.0011","90","","1665.19","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl N -","- C21 H20 Cl N -","- C84 H80 Cl4 N4 -","4","1","","Taeufer, Tobias; Hauptmann, Richy; El-Hage, Firas; Mayer, Thea S.; Jiao, Haijun; Rabeah, Jabor; Pospech, Jola","Pyrimidopteridine-Catalyzed Hydroamination of Stilbenes with Primary Amines: A Dual Photoredox and Hydrogen Atom Transfer Catalyst","ACS Catalysis","2021","11","8","4862","4869","10.1021/acscatal.0c05540","","","1.54178","CuKα","","0.0396","0.035","","","0.0875","0.091","","","","","","1.051","","","","has coordinates","264797","2021-05-03","19:27:16",""
"4518688","5.9557","0.0009","10.9058","0.0017","24.74","0.004","90","","90","","90","","1606.9","0.4","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(2S,4aS,7aR)-2-(3-bromophenyl)-4,4,7,7- tetramethylhexahydrocyclopenta[d][1,3]dioxine","","","- C17 H23 Br O2 -","- C17 H23 Br O2 -","- C68 H92 Br4 O8 -","4","1","","Ishihara, Hideyuki; Huang, Jianhao; Mochizuki, Takuya; Hatano, Manabu; Ishihara, Kazuaki","Enantio- and Diastereoselective Carbonyl-Ene Cyclization‒Acetalization Tandem Reaction Catalyzed by Tris(pentafluorophenyl)borane-Assisted Chiral Phosphoric Acids","ACS Catalysis","2021","11","10","6121","6127","10.1021/acscatal.1c01242","","","0.71075","MoKα","","0.0372","0.0305","","","0.0637","0.0646","","","","","","0.954","","","","has coordinates","265748","2021-06-04","00:57:49",""
"4518697","9.14307","0.00019","11.5592","0.0003","19.6135","0.0004","90","","90","","90","","2072.88","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 F3 N3 O4 -","- C20 H22 F3 N3 O4 -","- C80 H88 F12 N12 O16 -","4","1","","Guo, Fangfang; Chen, Jiean; Huang, Yong","A Bifunctional N-Heterocyclic Carbene as a Noncovalent Organocatalyst for Enantioselective Aza-Michael Addition Reactions","ACS Catalysis","2021","11","10","6316","6324","10.1021/acscatal.1c01908","","x-ray","1.54184","CuKα","","0.0312","0.0295","","","0.071","0.0723","","","","","","1.047","","","","has coordinates","265747","2021-06-04","00:57:43",""
"4518698","17.3627","0.0004","7.45954","0.00017","20.2256","0.0005","90","","92.932","0.002","90","","2616.15","0.11","100","0.12","100","0.12","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H25 Cl F6 N5 O0.5 S -","- C24 H25 Cl F6 N5 O0.5 S -","- C96 H100 Cl4 F24 N20 O2 S4 -","4","2","","Guo, Fangfang; Chen, Jiean; Huang, Yong","A Bifunctional N-Heterocyclic Carbene as a Noncovalent Organocatalyst for Enantioselective Aza-Michael Addition Reactions","ACS Catalysis","2021","11","10","6316","6324","10.1021/acscatal.1c01908","","x-ray","1.54184","CuKα","","0.0631","0.0591","","","0.1607","0.1681","","","","","","1.019","","","","has coordinates","265747","2021-06-04","00:57:43",""
"4518777","43.339","0.006","43.339","0.006","43.339","0.006","90","","90","","90","","81402","2","173","2","173","","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C151 H130 Cl5 Ir0.5 N7.5 O40 Zr12 -","- C139.488 H65.4912 Cl4.9998 Ir0.5004 N13.4976 O40 Zr12 -","- C1115.9 H523.93 Cl39.9984 Ir4.0032 N107.981 O320 Zr96 -","8","0.0416667","","Qi, Xiangjuan; Zhong, Ronglin; Chen, Mengmeng; Sun, Chunyi; You, Siqi; Gu, Jianxia; Shan, Guogang; Cui, Dongxu; Wang, Xinlong; Su, Zhongmin","Single Metal‒Organic Cage Decorated with an Ir(III) Complex for CO2 Photoreduction","ACS Catalysis","2021","11","12","7241","7248","10.1021/acscatal.1c01974","","","1.54178","CuKα","","0.2263","0.1908","","","0.4761","0.5176","","","","","","2.337","","","","has coordinates,has disorder","266960","2021-07-04","01:34:50",""
"4518787","13.347","0.003","7.9177","0.0016","13.683","0.003","90","","91.98","0.002","90","","1445.1","0.5","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H14 B F2 N -","- C18 H14 B F2 N -","- C72 H56 B4 F8 N4 -","4","2","","Song, Peidong; Hu, Linlin; Yu, Tao; Jiao, Jiao; He, Yangqing; Xu, Liang; Li, Pengfei","Development of a Tunable Chiral Pyridine Ligand Unit for Enantioselective Iridium-Catalyzed C‒H Borylation","ACS Catalysis","2021","11","12","7339","7349","10.1021/acscatal.1c01671","","","0.71073","MoKα","","0.0519","0.0432","","","0.0935","0.0982","","","","","","1.055","","","","has coordinates","266959","2021-07-04","01:33:54",""
"4518788","7.791","0.002","10.316","0.003","13.717","0.004","72.903","0.004","78.602","0.004","70.427","0.004","986.8","0.5","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 B N O2 -","- C24 H26 B N O2 -","- C48 H52 B2 N2 O4 -","2","1","","Song, Peidong; Hu, Linlin; Yu, Tao; Jiao, Jiao; He, Yangqing; Xu, Liang; Li, Pengfei","Development of a Tunable Chiral Pyridine Ligand Unit for Enantioselective Iridium-Catalyzed C‒H Borylation","ACS Catalysis","2021","11","12","7339","7349","10.1021/acscatal.1c01671","","","0.71073","MoKα","","0.1083","0.0695","","","0.1589","0.1753","","","","","","1.061","","","","has coordinates","266959","2021-07-04","01:33:54",""
"4518789","8.2846","0.0005","11.5452","0.0007","17.4901","0.001","90","","90","","90","","1672.88","0.17","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Cl N O2 -","- C20 H18 Cl N O2 -","- C80 H72 Cl4 N4 O8 -","4","1","","Song, Peidong; Hu, Linlin; Yu, Tao; Jiao, Jiao; He, Yangqing; Xu, Liang; Li, Pengfei","Development of a Tunable Chiral Pyridine Ligand Unit for Enantioselective Iridium-Catalyzed C‒H Borylation","ACS Catalysis","2021","11","12","7339","7349","10.1021/acscatal.1c01671","","","1.54178","CuKα","","0.0223","0.0216","","","0.053","0.0535","","","","","","1.057","","","","has coordinates","266959","2021-07-04","01:33:54",""
"4518790","7.738","0.003","11.313","0.004","11.517","0.004","90","","95.132","0.004","90","","1004.2","0.6","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3.67 H3.67 Cl0.33 N0.33 O0.67 -","- C3.66667 H3.66667 Cl0.333333 N0.333333 O0.666667 -","- C44 H44 Cl4 N4 O8 -","12","3","","Song, Peidong; Hu, Linlin; Yu, Tao; Jiao, Jiao; He, Yangqing; Xu, Liang; Li, Pengfei","Development of a Tunable Chiral Pyridine Ligand Unit for Enantioselective Iridium-Catalyzed C‒H Borylation","ACS Catalysis","2021","11","12","7339","7349","10.1021/acscatal.1c01671","","","0.71073","MoKα","","0.0525","0.0413","","","0.11","0.1186","","","","","","1.035","","","","has coordinates","266959","2021-07-04","01:33:54",""
"4518791","9.3814","0.0001","12.2395","0.0002","21.7629","0.0003","85.937","0.001","85.118","0.001","71.918","0.002","2364.26","0.06","120.01","0.1","120.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C54 H60 P4 Re2 -","- C54 H60 P4 Re2 -","- C108 H120 P8 Re4 -","2","1","","Donnelly, Liam J.; Faber, Teresa; Morrison, Carole A.; Nichol, Gary S.; Thomas, Stephen P.; Love, Jason B.","C‒H Borylation Catalysis of Heteroaromatics by a Rhenium Boryl Polyhydride","ACS Catalysis","2021","11","12","7394","7400","10.1021/acscatal.1c00869","","x-ray","0.71073","MoKα","","0.0549","0.0421","","","0.0683","0.072","","","","","","1.176","","","","has coordinates,has disorder","266961","2021-07-04","01:35:44",""
"4518792","12.9998","0.0002","29.3027","0.0004","14.5738","0.0002","90","","102.888","0.001","90","","5411.73","0.14","120.01","0.1","120.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H67 B K O8 P2 Re -","- C45 H67 B K O8 P2 Re -","- C180 H268 B4 K4 O32 P8 Re4 -","4","1","","Donnelly, Liam J.; Faber, Teresa; Morrison, Carole A.; Nichol, Gary S.; Thomas, Stephen P.; Love, Jason B.","C‒H Borylation Catalysis of Heteroaromatics by a Rhenium Boryl Polyhydride","ACS Catalysis","2021","11","12","7394","7400","10.1021/acscatal.1c00869","","x-ray","0.71073","MoKα","","0.0297","0.0286","","","0.0633","0.0637","","","","","","1.151","","","","has coordinates","266961","2021-07-04","01:35:47",""
"4518793","11.5282","0.0003","24.9634","0.0008","26.1194","0.0009","90","","90","","90","","7516.7","0.4","120.01","0.1","120.01","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","ReH6(dppp)(Bpin)","","- C40 H52 B O2 P2 Re -","- C40 H52 B O2 P2 Re -","- C320 H416 B8 O16 P16 Re8 -","8","1","","Donnelly, Liam J.; Faber, Teresa; Morrison, Carole A.; Nichol, Gary S.; Thomas, Stephen P.; Love, Jason B.","C‒H Borylation Catalysis of Heteroaromatics by a Rhenium Boryl Polyhydride","ACS Catalysis","2021","11","12","7394","7400","10.1021/acscatal.1c00869","","x-ray","0.71073","MoKα","","0.0585","0.0381","","","0.0503","0.0541","","","","","","1.095","","","","has coordinates","266961","2021-07-04","01:35:47",""
"4518810","9.167","0.003","9.525","0.003","11.969","0.004","79.705","0.008","87.577","0.008","80.445","0.008","1013.9","0.6","129","2","129","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 Cl5 N4 Zn -","- C19 H13 Cl5 N4 Zn -","- C38 H26 Cl10 N8 Zn2 -","2","1","","Das, Siuli; Mondal, Rakesh; Chakraborty, Gargi; Guin, Amit Kumar; Das, Abhishek; Paul, Nanda D.","Zinc Stabilized Azo-anion Radical in Dehydrogenative Synthesis of N-Heterocycles. An Exclusively Ligand Centered Redox Controlled Approach","ACS Catalysis","2021","11","12","7498","7512","10.1021/acscatal.1c00275","","","0.71073","MoKα","","0.0373","0.0312","","","0.0843","0.0873","","","","","","1.065","","","","has coordinates","266962","2021-07-04","01:36:33",""
"4518811","11.2672","0.001","10.7013","0.001","29.775","0.003","90","","90.307","0.001","90","","3590","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H54 N3 O Rh -","- C40 H54 N3 O Rh -","- C160 H216 N12 O4 Rh4 -","4","1","","Galiana-Cameo, María; Urriolabeitia, Asier; Barrenas, Eduardo; Passarelli, Vincenzo; Pérez-Torrente, Jesús J.; Di Giuseppe, Andrea; Polo, Víctor; Castarlenas, Ricardo","Metal‒Ligand Cooperative Proton Transfer as an Efficient Trigger for Rhodium-NHC-Pyridonato Catalyzed gem-Specific Alkyne Dimerization","ACS Catalysis","2021","11","12","7553","7567","10.1021/acscatal.1c00602","","","0.71073","MoKα","","0.0366","0.0282","","","0.06","0.0635","","","","","","1.041","","","","has coordinates,has disorder","266963","2021-07-04","01:37:01",""
"4518820","6.5335","0.0004","9.7082","0.0006","21.2586","0.0013","90","","90","","90","","1348.4","0.14","240","2","240","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C68 H72 O12 -","4","1","","Xu, Hao; Tan, Yun-Xuan; Xie, Pei-Pei; Ding, Rui; Liao, Qi; Zhang, Jian-Wei; Li, Qing-Hua; Wang, Yu-Hui; Hong, Xin; Lin, Guo-Qiang; Tian, Ping","Rhodium(III)-Catalyzed Asymmetric Reductive Cyclization of Cyclohexadienone-Containing 1,6-Dienes via an Anti-Michael/Michael Cascade Process","ACS Catalysis","2021","11","13","8015","8022","10.1021/acscatal.1c02431","","","1.54178","cukα","","0.0302","0.0299","","","0.0755","0.0761","","","","","","1.053","","","","has coordinates","266955","2021-07-04","01:31:14",""
"4518821","5.5908","0.0006","12.4361","0.0012","16.2473","0.0015","90","","90","","90","","1129.64","0.19","237","2","237","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Xu, Hao; Tan, Yun-Xuan; Xie, Pei-Pei; Ding, Rui; Liao, Qi; Zhang, Jian-Wei; Li, Qing-Hua; Wang, Yu-Hui; Hong, Xin; Lin, Guo-Qiang; Tian, Ping","Rhodium(III)-Catalyzed Asymmetric Reductive Cyclization of Cyclohexadienone-Containing 1,6-Dienes via an Anti-Michael/Michael Cascade Process","ACS Catalysis","2021","11","13","8015","8022","10.1021/acscatal.1c02431","","","1.54178","cukα","","0.0304","0.0295","","","0.072","0.0726","","","","","","1.054","","","","has coordinates","266955","2021-07-04","01:31:14",""
"4518822","9.7823","0.0005","6.7565","0.0003","11.0023","0.0005","90","","90.42","0.002","90","","727.17","0.06","246","2","246","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C30 H44 O8 -","2","1","","Xu, Hao; Tan, Yun-Xuan; Xie, Pei-Pei; Ding, Rui; Liao, Qi; Zhang, Jian-Wei; Li, Qing-Hua; Wang, Yu-Hui; Hong, Xin; Lin, Guo-Qiang; Tian, Ping","Rhodium(III)-Catalyzed Asymmetric Reductive Cyclization of Cyclohexadienone-Containing 1,6-Dienes via an Anti-Michael/Michael Cascade Process","ACS Catalysis","2021","11","13","8015","8022","10.1021/acscatal.1c02431","","","1.54178","cukα","","0.0329","0.0321","","","0.0787","0.0796","","","","","","1.084","","","","has coordinates","266955","2021-07-04","01:31:14",""
"4518823","5.5111","0.0002","13.0823","0.0004","19.6436","0.0006","90","","90","","90","","1416.26","0.08","155","2","155","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C68 H80 O12 -","4","1","","Xu, Hao; Tan, Yun-Xuan; Xie, Pei-Pei; Ding, Rui; Liao, Qi; Zhang, Jian-Wei; Li, Qing-Hua; Wang, Yu-Hui; Hong, Xin; Lin, Guo-Qiang; Tian, Ping","Rhodium(III)-Catalyzed Asymmetric Reductive Cyclization of Cyclohexadienone-Containing 1,6-Dienes via an Anti-Michael/Michael Cascade Process","ACS Catalysis","2021","11","13","8015","8022","10.1021/acscatal.1c02431","","","1.54178","cukα","","0.0298","0.0292","","","0.0777","0.0782","","","","","","1.065","","","","has coordinates","266955","2021-07-04","01:31:14",""
"4518824","6.5561","0.0007","10.1014","0.0013","22.992","0.002","90","","90","","90","","1522.7","0.3","267","2","267","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 O4 -","- C15 H22 O4 -","- C60 H88 O16 -","4","1","","Xu, Hao; Tan, Yun-Xuan; Xie, Pei-Pei; Ding, Rui; Liao, Qi; Zhang, Jian-Wei; Li, Qing-Hua; Wang, Yu-Hui; Hong, Xin; Lin, Guo-Qiang; Tian, Ping","Rhodium(III)-Catalyzed Asymmetric Reductive Cyclization of Cyclohexadienone-Containing 1,6-Dienes via an Anti-Michael/Michael Cascade Process","ACS Catalysis","2021","11","13","8015","8022","10.1021/acscatal.1c02431","","","1.54178","cukα","","0.0482","0.0433","","","0.1126","0.1179","","","","","","1.044","","","","has coordinates","266955","2021-07-04","01:31:14",""
"4518825","7.7829","0.0003","6.2561","0.0003","14.2118","0.0006","90","","91.797","0.002","90","","691.64","0.05","270","2","270","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O3 -","- C17 H18 O3 -","- C34 H36 O6 -","2","1","","Xu, Hao; Tan, Yun-Xuan; Xie, Pei-Pei; Ding, Rui; Liao, Qi; Zhang, Jian-Wei; Li, Qing-Hua; Wang, Yu-Hui; Hong, Xin; Lin, Guo-Qiang; Tian, Ping","Rhodium(III)-Catalyzed Asymmetric Reductive Cyclization of Cyclohexadienone-Containing 1,6-Dienes via an Anti-Michael/Michael Cascade Process","ACS Catalysis","2021","11","13","8015","8022","10.1021/acscatal.1c02431","","","1.54178","cukα","","0.0373","0.0337","","","0.0874","0.0903","","","","","","1.082","","","","has coordinates","266955","2021-07-04","01:31:14",""
"4518826","10.2602","0.0009","10.2602","0.0009","61.043","0.005","90","","90","","120","","5565.2","0.8","153","2","153","2","","","","","","","","6","P 65","P 65","170","","","","- C16 H19 Br Mn N3 O3 -","- C16 H19 Br Mn N3 O3 -","- C192 H228 Br12 Mn12 N36 O36 -","12","2","","Wang, Lixian; Lin, Jin; Sun, Qiangsheng; Xia, Chungu; Sun, Wei","Amino Acid Derived Chiral Aminobenzimidazole Manganese Catalysts for Asymmetric Transfer Hydrogenation of Ketones","ACS Catalysis","2021","11","13","8033","8041","10.1021/acscatal.1c00616","","","0.71073","MoKα","","0.0479","0.039","","","0.1022","0.1068","","","","","","1","","","","has coordinates","266956","2021-07-04","01:31:59",""
"4518827","13.1249","0.001","18.8575","0.0014","20.0527","0.0015","90","","90","","90","","4963.1","0.6","153","2","153.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 Br Mn N3 O3 -","- C21 H19 Br Mn N3 O3 -","- C168 H152 Br8 Mn8 N24 O24 -","8","2","","Wang, Lixian; Lin, Jin; Sun, Qiangsheng; Xia, Chungu; Sun, Wei","Amino Acid Derived Chiral Aminobenzimidazole Manganese Catalysts for Asymmetric Transfer Hydrogenation of Ketones","ACS Catalysis","2021","11","13","8033","8041","10.1021/acscatal.1c00616","","","0.71073","MoKα","","0.0458","0.0389","","","0.0938","0.0964","","","","","","1.098","","","","has coordinates","266956","2021-07-04","01:32:00",""
"4518828","29.0406","0.0016","16.9643","0.0009","19.5677","0.0011","90","","102.448","0.001","90","","9413.5","0.9","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H61 Hf N O2 -","- C55 H61 Hf N O2 -","- C440 H488 Hf8 N8 O16 -","8","1","","Goryunov, Georgy P.; Sharikov, Mikhail I.; Iashin, Andrei N.; Canich, Jo Ann M.; Mattler, Sarah J.; Hagadorn, John R.; Uborsky, Dmitry V.; Voskoboynikov, Alexander Z.","Rigid Postmetallocene Catalysts for Propylene Polymerization: Ligand Design Prevents the Temperature-Dependent Loss of Stereo- and Regioselectivities","ACS Catalysis","2021","11","13","8079","8086","10.1021/acscatal.1c01611","","","0.71073","MoKα","","0.027","0.0218","","","0.049","0.0517","","","","","","1.027","","","","has coordinates","266957","2021-07-04","01:32:31",""
"4518829","10.9084","0.0001","11.7353","0.0002","16.7685","0.0002","90","","90","","90","","2146.59","0.05","297","","297","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 Cl N4 O2 -","- C22 H29 Cl N4 O2 -","- C88 H116 Cl4 N16 O8 -","4","1","","Xie, Ming-Sheng; Li, Ning; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming","Dynamic Kinetic Resolution of Carboxylic Esters Catalyzed by Chiral PPY N-Oxides: Synthesis of Nonsteroidal Anti-Inflammatory Drugs and Mechanistic Insights","ACS Catalysis","2021","11","13","8183","8196","10.1021/acscatal.1c01438","","x-ray","1.54184","CuKα","","0.0388","0.0376","","","0.1045","0.1055","","","","","","1.051","","","","has coordinates,has disorder","266958","2021-07-04","01:33:09",""
"4518830","19.2893","0.0001","19.2893","0.0001","6.0504","0.0001","90","","90","","90","","2251.22","0.04","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C23 H24 Cl N3 O3 -","- C23 H24 Cl N3 O3 -","- C92 H96 Cl4 N12 O12 -","4","1","","Xie, Ming-Sheng; Li, Ning; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming","Dynamic Kinetic Resolution of Carboxylic Esters Catalyzed by Chiral PPY N-Oxides: Synthesis of Nonsteroidal Anti-Inflammatory Drugs and Mechanistic Insights","ACS Catalysis","2021","11","13","8183","8196","10.1021/acscatal.1c01438","","x-ray","1.54184","CuKα","","0.039","0.0363","","","0.098","0.0998","","","","","","1.047","","","","has coordinates","266958","2021-07-04","01:33:10",""
"4518831","14.6667","0.0002","15.3682","0.0002","23.1466","0.0003","90","","90","","90","","5217.26","0.12","170","0.1","170","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C55 H65 Cl3 N8 O5 -","- C55 H65 Cl3 N8 O5 -","- C220 H260 Cl12 N32 O20 -","4","1","","Xie, Ming-Sheng; Li, Ning; Tian, Yin; Wu, Xiao-Xia; Deng, Yun; Qu, Gui-Rong; Guo, Hai-Ming","Dynamic Kinetic Resolution of Carboxylic Esters Catalyzed by Chiral PPY N-Oxides: Synthesis of Nonsteroidal Anti-Inflammatory Drugs and Mechanistic Insights","ACS Catalysis","2021","11","13","8183","8196","10.1021/acscatal.1c01438","","x-ray","1.54184","CuKα","","0.0519","0.0503","","","0.1373","0.1391","","","","","","1.037","","","","has coordinates","266958","2021-07-04","01:33:10",""
"4518848","17.1276","0.0012","17.7163","0.0012","17.8919","0.0013","112.381","0.002","115.776","0.002","90.585","0.002","4418.7","0.6","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C35 H35 Cl3 F3 O10 P3 Pt S -","- C35 H35 Cl3 F3 O10 P3 Pt S -","- C140 H140 Cl12 F12 O40 P12 Pt4 S4 -","4","2","","Li, Chengcheng; Chang, Xiao-Yong; Huo, Luqiong; Tan, Haibo; Xing, Xiangyou; Xu, Chen","Hydration of Cyanohydrins by Highly Active Cationic Pt Catalysts: Mechanism and Scope","ACS Catalysis","2021","11","14","8716","8726","10.1021/acscatal.1c02254","","x-ray","0.71073","MoKα","","0.0787","0.0593","","","0.1527","0.1675","","","","","","1.057","","","","has coordinates,has disorder","267926","2021-08-03","23:30:16",""
"4518849","9.3276","0.0006","10.4475","0.0007","21.4237","0.0014","98.845","0.002","100.326","0.002","94.635","0.002","2016.9","0.2","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C38 H35 F6 Fe O7 P3 Pt S2 -","- C38 H35 F6 Fe O7 P3 Pt S2 -","- C76 H70 F12 Fe2 O14 P6 Pt2 S4 -","2","1","","Li, Chengcheng; Chang, Xiao-Yong; Huo, Luqiong; Tan, Haibo; Xing, Xiangyou; Xu, Chen","Hydration of Cyanohydrins by Highly Active Cationic Pt Catalysts: Mechanism and Scope","ACS Catalysis","2021","11","14","8716","8726","10.1021/acscatal.1c02254","","x-ray","0.71073","MoKα","","0.0478","0.0406","","","0.0908","0.0944","","","","","","1.095","","","","has coordinates,has disorder","267926","2021-08-03","23:30:16",""
"4518850","12.0101","0.0007","13.0185","0.0008","20.5982","0.0012","89.708","0.003","73.604","0.003","66.285","0.003","2807.1","0.3","150","","150","","","","","","","","","10","P -1","-P 1","2","","","","- C55.5 H51 F6 Fe I N O7 P3 Pt S2 -","- C55.5 H51 F6 Fe I N O7 P3 Pt S2 -","- C111 H102 F12 Fe2 I2 N2 O14 P6 Pt2 S4 -","2","1","","Li, Chengcheng; Chang, Xiao-Yong; Huo, Luqiong; Tan, Haibo; Xing, Xiangyou; Xu, Chen","Hydration of Cyanohydrins by Highly Active Cationic Pt Catalysts: Mechanism and Scope","ACS Catalysis","2021","11","14","8716","8726","10.1021/acscatal.1c02254","","x-ray","1.54184","CuKα","","0.0543","0.0515","","","0.1301","0.1331","","","","","","1.048","","","","has coordinates,has disorder","267926","2021-08-03","23:30:16",""
"4518851","14.8139","0.0007","9.5761","0.0005","27.8457","0.0012","90","","102.566","0.002","90","","3855.6","0.3","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 Cl4 F3 O4 P3 Pt S -","- C34 H32 Cl4 F3 O4 P3 Pt S -","- C136 H128 Cl16 F12 O16 P12 Pt4 S4 -","4","1","","Li, Chengcheng; Chang, Xiao-Yong; Huo, Luqiong; Tan, Haibo; Xing, Xiangyou; Xu, Chen","Hydration of Cyanohydrins by Highly Active Cationic Pt Catalysts: Mechanism and Scope","ACS Catalysis","2021","11","14","8716","8726","10.1021/acscatal.1c02254","","x-ray","1.54178","CuKα","","0.0386","0.0358","","","0.1093","0.1117","","","","","","1.111","","","","has coordinates,has disorder","267926","2021-08-03","23:30:16",""
"4518852","11.1267","0.0013","13.0225","0.0015","28.766","0.004","102.068","0.004","96.51","0.004","93.444","0.004","4034.6","0.9","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C38 H35 Cl3 F3 O4 P3 Pt S -","- C38 H35 Cl3 F3 O4 P3 Pt S -","- C152 H140 Cl12 F12 O16 P12 Pt4 S4 -","4","2","","Li, Chengcheng; Chang, Xiao-Yong; Huo, Luqiong; Tan, Haibo; Xing, Xiangyou; Xu, Chen","Hydration of Cyanohydrins by Highly Active Cationic Pt Catalysts: Mechanism and Scope","ACS Catalysis","2021","11","14","8716","8726","10.1021/acscatal.1c02254","","x-ray","0.71073","MoKα","","0.0792","0.0558","","","0.1163","0.125","","","","","","1.047","","","","has coordinates,has disorder","267926","2021-08-03","23:30:16",""
"4518856","10.4985","0.0013","11.4124","0.001","13.4302","0.0012","79.15","0.007","89.525","0.008","79.395","0.009","1552.8","0.3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C56 H72 Cl2 F6 N2 O6 P2 Pd2 S2 -","- C56 H72 Cl2 F6 N2 O6 P2 Pd2 S2 -","- C56 H72 Cl2 F6 N2 O6 P2 Pd2 S2 -","1","0.5","","So, Chau Ming; Yuen, On Ying; Ng, Shan Shan; Chen, Zicong","General Chemoselective Suzuki‒Miyaura Coupling of Polyhalogenated Aryl Triflates Enabled by an Alkyl-Heteroaryl-Based Phosphine Ligand","ACS Catalysis","2021","11","13","7820","7827","10.1021/acscatal.1c02146","","x-ray","0.71073","MoKα","","0.1135","0.0662","","","0.1031","0.1246","","","","","","0.998","","","","has coordinates","266939","2021-07-03","19:34:25",""
"4518857","18.9569","0.0014","14.9929","0.0011","23.8375","0.0018","90","","104.419","0.001","90","","6561.7","0.8","133","2","133","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C73 H88 B2 N4 Na O5 Rh S2 -","- C73 H88 B2 N4 Na O5 Rh S2 -","- C292 H352 B8 N16 Na4 O20 Rh4 S8 -","4","1","","Barlow, Jeffrey M.; Ziller, Joseph W.; Yang, Jenny Y.","Inhibiting the Hydrogen Evolution Reaction (HER) with Proximal Cations: A Strategy for Promoting Selective Electrocatalytic Reduction","ACS Catalysis","2021","11","13","8155","8164","10.1021/acscatal.1c01527","","","0.71073","MoKα","","0.0602","0.0438","","","0.1067","0.1165","","","","","","1.032","","","","has coordinates,has disorder","266940","2021-07-03","19:34:48",""
"4518858","8.2674","0.0009","9.8268","0.001","10.9563","0.0011","116.565","0.0011","96.392","0.0012","103.022","0.0011","752.35","0.14","88","2","88","2","","","","","","","","8","P -1","-P 1","2","","","","- C9 H19 B F4 N O Rh S2 -","- C9 H19 B F4 N O Rh S2 -","- C18 H38 B2 F8 N2 O2 Rh2 S4 -","2","1","","Barlow, Jeffrey M.; Ziller, Joseph W.; Yang, Jenny Y.","Inhibiting the Hydrogen Evolution Reaction (HER) with Proximal Cations: A Strategy for Promoting Selective Electrocatalytic Reduction","ACS Catalysis","2021","11","13","8155","8164","10.1021/acscatal.1c01527","","","0.71073","MoKα","","0.0211","0.0204","","","0.0541","0.0546","","","","","","1.068","","","","has coordinates","266941","2021-07-03","19:35:10",""
"4518859","16.3353","0.0011","14.4426","0.0011","12.0371","0.0009","90","","90","","90","","2839.8","0.4","103","2","103","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C25 H43 B F4 Mn N O2 P2 -","- C25 H43 B F4 Mn N O2 P2 -","- C100 H172 B4 F16 Mn4 N4 O8 P8 -","4","1","","Schlenker, Kevin; Christensen, Elizabeth G.; Zhanserkeev, Asylbek A.; McDonald, Gabriel R.; Yang, Emily L.; Lutz, Kevin T.; Steele, Ryan P.; VanderLinden, Ryan T.; Saouma, Caroline T.","Role of Ligand-Bound CO2 in the Hydrogenation of CO2 to Formate with a (PNP)Mn Catalyst","ACS Catalysis","2021","11","13","8358","8369","10.1021/acscatal.1c01709","","","0.71073","MoKα","","0.0556","0.0398","","","0.0715","0.0764","","","","","","0.994","","","","has coordinates,has disorder","266942","2021-07-03","19:36:19",""
"4518860","17.7198","0.0007","12.1114","0.0005","15.6986","0.0007","90","","112.202","0.002","90","","3119.3","0.2","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H50 Mn N O5 P2 -","- C30 H50 Mn N O5 P2 -","- C120 H200 Mn4 N4 O20 P8 -","4","1","","Schlenker, Kevin; Christensen, Elizabeth G.; Zhanserkeev, Asylbek A.; McDonald, Gabriel R.; Yang, Emily L.; Lutz, Kevin T.; Steele, Ryan P.; VanderLinden, Ryan T.; Saouma, Caroline T.","Role of Ligand-Bound CO2 in the Hydrogenation of CO2 to Formate with a (PNP)Mn Catalyst","ACS Catalysis","2021","11","13","8358","8369","10.1021/acscatal.1c01709","","","0.71073","MoKα","","0.0722","0.04","","","0.0759","0.0863","","","","","","1.018","","","","has coordinates","266942","2021-07-03","19:36:20",""
"4518861","14.762","0.008","15.414","0.008","19.157","0.01","104.574","0.019","100.59","0.02","113.484","0.016","3666","3","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H54 K Mn N O5.5 P2 -","- C32 H54 K Mn N O5.5 P2 -","- C128 H216 K4 Mn4 N4 O22 P8 -","4","2","","Schlenker, Kevin; Christensen, Elizabeth G.; Zhanserkeev, Asylbek A.; McDonald, Gabriel R.; Yang, Emily L.; Lutz, Kevin T.; Steele, Ryan P.; VanderLinden, Ryan T.; Saouma, Caroline T.","Role of Ligand-Bound CO2 in the Hydrogenation of CO2 to Formate with a (PNP)Mn Catalyst","ACS Catalysis","2021","11","13","8358","8369","10.1021/acscatal.1c01709","","","0.71073","MoKα","","0.1445","0.0838","","","0.1926","0.2324","","","","","","1.052","","","","has coordinates,has disorder","266942","2021-07-03","19:36:20",""
"4518862","40.52","0.005","11.0361","0.0012","29.824","0.003","90","","99.137","0.003","90","","13168","3","165","2","165","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C58 H105 K Mn N O15 P2 -","- C58 H105 K Mn N O15 P2 -","- C464 H840 K8 Mn8 N8 O120 P16 -","8","1","","Schlenker, Kevin; Christensen, Elizabeth G.; Zhanserkeev, Asylbek A.; McDonald, Gabriel R.; Yang, Emily L.; Lutz, Kevin T.; Steele, Ryan P.; VanderLinden, Ryan T.; Saouma, Caroline T.","Role of Ligand-Bound CO2 in the Hydrogenation of CO2 to Formate with a (PNP)Mn Catalyst","ACS Catalysis","2021","11","13","8358","8369","10.1021/acscatal.1c01709","","","0.71073","MoKα","","0.0599","0.0443","","","0.1209","0.1332","","","","","","1.056","","","","has coordinates,has disorder","266942","2021-07-03","19:36:20",""
"4518934","10.5492","0.0004","10.6045","0.0005","15.0677","0.0008","90","","90","","90","","1685.61","0.14","295","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Cl F3 N O -","- C19 H15 Cl F3 N O -","- C76 H60 Cl4 F12 N4 O4 -","4","1","","Xu, Lei; Zhong, Sishi; Yang, Qian; Wei, Jie; Zou, Jiaming; Li, Hongxiang; Cai, Yunfei","Catalytic Asymmetric Radical-Mediated Three-Component Piancatelli-Type Rearrangement of Furylalkenes","ACS Catalysis","2021","11","16","10198","10207","10.1021/acscatal.1c03119","","x-ray","0.71073","MoKα","","0.0813","0.0525","","","0.1086","0.129","","","","","","1.024","","","","has coordinates","268478","2021-09-04","02:57:00",""
"4518935","8.6182","0.0004","7.3866","0.0004","19.3609","0.001","90","","93.692","0.004","90","","1229.94","0.11","292","2","292","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H24 Cl F2 N O3 -","- C28 H24 Cl F2 N O3 -","- C56 H48 Cl2 F4 N2 O6 -","2","1","","Xu, Lei; Zhong, Sishi; Yang, Qian; Wei, Jie; Zou, Jiaming; Li, Hongxiang; Cai, Yunfei","Catalytic Asymmetric Radical-Mediated Three-Component Piancatelli-Type Rearrangement of Furylalkenes","ACS Catalysis","2021","11","16","10198","10207","10.1021/acscatal.1c03119","","x-ray","0.71073","MoKα","","0.09","0.0612","","","0.147","0.172","","","","","","1.048","","","","has coordinates","268478","2021-09-04","02:57:00",""
"4518936","18.358","0.003","10.6384","0.0011","20.055","0.002","90","","100.967","0.006","90","","3845.2","0.8","173","2","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H42 N4 O4 P2 Rh2 -","- C39 H42 N4 O4 P2 Rh2 -","- C156 H168 N16 O16 P8 Rh8 -","4","1","","Lu, Wenkui; Zhu, Xiaoyu; Yang, Liqun; Wu, Xiaoyu; Xie, Xiaomin; Zhang, Zhaoguo","Distinct Catalytic Performance of Dirhodium(II) Complexes with ortho-Metalated DPPP in Dehydrosilylation of Styrene Derivatives with Alkoxysilanes","ACS Catalysis","2021","11","16","10190","10197","10.1021/acscatal.1c02129","","","1.54178","CuKα","","0.0263","0.0211","","","0.0472","0.0489","","","","","","1.039","","","","has coordinates","268479","2021-09-04","02:57:27",""
"4518937","9.8701","0.0002","21.0572","0.0004","16.6273","0.0003","90","","90","","90","","3455.76","0.11","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C34 H39 O7 P3 Rh2 -","- C34 H39 O7 P3 Rh2 -","- C136 H156 O28 P12 Rh8 -","4","0.5","","Lu, Wenkui; Zhu, Xiaoyu; Yang, Liqun; Wu, Xiaoyu; Xie, Xiaomin; Zhang, Zhaoguo","Distinct Catalytic Performance of Dirhodium(II) Complexes with ortho-Metalated DPPP in Dehydrosilylation of Styrene Derivatives with Alkoxysilanes","ACS Catalysis","2021","11","16","10190","10197","10.1021/acscatal.1c02129","","","1.54178","CuKα","","0.0284","0.0238","","","0.0559","0.0576","","","","","","1.106","","","","has coordinates","268479","2021-09-04","02:57:27",""
"4518945","5.067","0.0002","18.8912","0.0009","20.6194","0.001","90","","90","","90","","1973.72","0.16","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N O -","- C23 H31 N O -","- C92 H124 N4 O4 -","4","1","","Zhou, Fang; Zhu, Shaolin","Catalytic Asymmetric Hydroalkylation of α,β-Unsaturated Amides Enabled by Regio-Reversed and Enantiodifferentiating syn-Hydronickellation","ACS Catalysis","2021","11","14","8766","8773","10.1021/acscatal.1c02299","","","0.71073","MoKα","","0.0548","0.047","","","0.1123","0.1186","","","","","","1.022","","","","has coordinates","267919","2021-08-03","19:40:15",""
"4518946","10.1942","0.0009","10.1942","0.0009","14.1934","0.0017","90","","90","","120","","1277.4","0.2","193","","193","","","","","","","","","4","P 32","P 32","145","","","","- C20 H25 N O -","- C20 H25 N O -","- C60 H75 N3 O3 -","3","1","","Zhou, Fang; Zhu, Shaolin","Catalytic Asymmetric Hydroalkylation of α,β-Unsaturated Amides Enabled by Regio-Reversed and Enantiodifferentiating syn-Hydronickellation","ACS Catalysis","2021","11","14","8766","8773","10.1021/acscatal.1c02299","","","0.71073","MoKα","","0.0712","0.0517","","","0.115","0.1263","","","","","","1.032","","","","has coordinates","267920","2021-08-03","19:40:35",""
"4518975","9.487","0.0019","10.576","0.003","15.286","0.003","96.2","0.04","91.16","0.03","116.58","0.03","1359.5","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H64 Cl2 N4 P2 Pd2 -","- C60 H64 Cl2 N4 P2 Pd2 -","- C60 H64 Cl2 N4 P2 Pd2 -","1","0.5","","Ence, Chloe C.; Martinez, Erin E.; Himes, Samuel R.; Nazari, S. Hadi; Moreno, Mariur Rodriguez; Matu, Manase F.; Larsen, Samantha G.; Gassaway, Kyle J.; Valdivia-Berroeta, Gabriel A.; Smith, Stacey J.; Ess, Daniel H.; Michaelis, David J.","Experiment and Theory of Bimetallic Pd-Catalyzed α-Arylation and Annulation for Naphthalene Synthesis","ACS Catalysis","2021","11","16","10394","10404","10.1021/acscatal.1c02731","","","1.54178","CuKα","","0.0516","0.0433","","","0.1022","0.1053","","","","","","1.089","","","","has coordinates","268407","2021-09-03","19:36:48",""
"4518976","38.6949","0.0018","17.3828","0.0007","19.7361","0.0008","90","","99.654","0.003","90","","13087","1","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H28.5 B0 Cl3 N2 P Pd1.5 -","- C27 H28.5 Cl3 N2 P Pd1.5 -","- C432 H456 Cl48 N32 P16 Pd24 -","16","2","","Ence, Chloe C.; Martinez, Erin E.; Himes, Samuel R.; Nazari, S. Hadi; Moreno, Mariur Rodriguez; Matu, Manase F.; Larsen, Samantha G.; Gassaway, Kyle J.; Valdivia-Berroeta, Gabriel A.; Smith, Stacey J.; Ess, Daniel H.; Michaelis, David J.","Experiment and Theory of Bimetallic Pd-Catalyzed α-Arylation and Annulation for Naphthalene Synthesis","ACS Catalysis","2021","11","16","10394","10404","10.1021/acscatal.1c02731","","","1.54178","CuKα","","0.0835","0.0701","","","0.1881","0.205","","","","","","0.671","","","","has coordinates","268408","2021-09-03","19:37:18",""
"4518977","14.761","0.004","15.803","0.005","17.805","0.005","111.215","0.008","104.832","0.008","96.15","0.008","3649.7","1.9","100","2","100","2","","","","","","","","10","P -1","-P 1","2","","","","- C62.46 H62.16 Ag0.16 F9.46 I N4 O10.62 P2 Pd2 S3.16 -","- C62.4615 H62.155 Ag0.15375 F9.4605 I N4 O10.6135 P2 Pd2 S3.1535 -","- C124.923 H124.31 Ag0.3075 F18.921 I2 N8 O21.227 P4 Pd4 S6.307 -","2","1","","Ence, Chloe C.; Martinez, Erin E.; Himes, Samuel R.; Nazari, S. Hadi; Moreno, Mariur Rodriguez; Matu, Manase F.; Larsen, Samantha G.; Gassaway, Kyle J.; Valdivia-Berroeta, Gabriel A.; Smith, Stacey J.; Ess, Daniel H.; Michaelis, David J.","Experiment and Theory of Bimetallic Pd-Catalyzed α-Arylation and Annulation for Naphthalene Synthesis","ACS Catalysis","2021","11","16","10394","10404","10.1021/acscatal.1c02731","","","0.71073","MoKα","","0.0765","0.0608","","","0.1567","0.1707","","","","","","1.119","","","","has coordinates,has disorder","268409","2021-09-03","19:37:50",""
"4518978","10.9294","0.0005","12.06","0.0006","14.6295","0.0007","70.649","0.002","71.301","0.002","71.001","0.002","1670.63","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H31 Cl8 N2 P Pd -","- C29 H31 Cl8 N2 P Pd -","- C58 H62 Cl16 N4 P2 Pd2 -","2","1","","Ence, Chloe C.; Martinez, Erin E.; Himes, Samuel R.; Nazari, S. Hadi; Moreno, Mariur Rodriguez; Matu, Manase F.; Larsen, Samantha G.; Gassaway, Kyle J.; Valdivia-Berroeta, Gabriel A.; Smith, Stacey J.; Ess, Daniel H.; Michaelis, David J.","Experiment and Theory of Bimetallic Pd-Catalyzed α-Arylation and Annulation for Naphthalene Synthesis","ACS Catalysis","2021","11","16","10394","10404","10.1021/acscatal.1c02731","","","1.54178","CuKα","","0.0273","0.026","","","0.0662","0.0672","","","","","","1.049","","","","has coordinates,has disorder","268410","2021-09-03","19:38:15",""
"4518979","11.5675","0.0011","15.2858","0.0015","18.2662","0.0017","90","","90","","90","","3229.8","0.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O2 -","- C20 H17 N O2 -","- C160 H136 N8 O16 -","8","1","","Yanagimoto, Aika; Uwabe, Yota; Wu, Qikun; Muto, Kei; Yamaguchi, Junichiro","Convergent Azaspirocyclization of Bromoarenes with N-Tosylhydrazones by a Palladium Catalyst","ACS Catalysis","2021","11","16","10429","10435","10.1021/acscatal.1c02627","","","1.5418","CuKα","","0.0402","0.0368","","","0.0887","0.0908","","","","","","1.07","","","","has coordinates","268411","2021-09-03","19:38:38",""
"4518980","12.6518","0.0002","15.3285","0.0003","16.7761","0.0004","90","","104.703","0.002","90","","3146.91","0.11","99.97","0.11","99.97","0.11","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 F Mn N2 O2 P2 -","- C32 H46 F Mn N2 O2 P2 -","- C128 H184 F4 Mn4 N8 O8 P8 -","4","1","","Zhou, Quan-Quan; Zou, You-Quan; Kar, Sayan; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Manganese-Pincer-Catalyzed Nitrile Hydration, α-Deuteration, and α-Deuterated Amide Formation via Metal Ligand Cooperation","ACS Catalysis","2021","11","16","10239","10245","10.1021/acscatal.1c01748","","x-ray","1.54184","CuKα","","0.0421","0.0388","","","0.103","0.1051","","","","","","1.048","","","","has coordinates","268412","2021-09-03","19:39:12",""
"4518981","12.92524","0.00018","16.7518","0.0002","16.3352","0.0002","90","","101.96","0.0013","90","","3460.14","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H47 Mn N2 O2 P2 -","- C32 H47 Mn N2 O2 P2 -","- C128 H188 Mn4 N8 O8 P8 -","4","1","","Zhou, Quan-Quan; Zou, You-Quan; Kar, Sayan; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Manganese-Pincer-Catalyzed Nitrile Hydration, α-Deuteration, and α-Deuterated Amide Formation via Metal Ligand Cooperation","ACS Catalysis","2021","11","16","10239","10245","10.1021/acscatal.1c01748","","x-ray","1.54184","CuKα","","0.035","0.0332","","","0.086","0.087","","","","","","1.055","","","","has coordinates,has disorder","268413","2021-09-03","19:39:37",""
"4518982","12.1759","0.0003","13.3287","0.0003","25.6006","0.0006","90","","90","","90","","4154.69","0.17","99.99","0.1","99.99","0.1","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C36 H53 Cl2 F3 Mn N2 O5 P2 S -","- C36 H53 Cl2 F3 Mn N2 O5 P2 S -","- C144 H212 Cl8 F12 Mn4 N8 O20 P8 S4 -","4","1","","Zhou, Quan-Quan; Zou, You-Quan; Kar, Sayan; Diskin-Posner, Yael; Ben-David, Yehoshoa; Milstein, David","Manganese-Pincer-Catalyzed Nitrile Hydration, α-Deuteration, and α-Deuterated Amide Formation via Metal Ligand Cooperation","ACS Catalysis","2021","11","16","10239","10245","10.1021/acscatal.1c01748","","x-ray","0.71073","MoKα","","0.0536","0.0465","","","0.1097","0.1135","","","","","","1.052","","","","has coordinates,has disorder","268414","2021-09-03","19:40:02",""
"4518983","18.259","0.003","17.663","0.002","11.5624","0.0013","90","","104.816","0.005","90","","3605","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 N4 Ni -","- C48 H40 N4 Ni -","- C192 H160 N16 Ni4 -","4","1","","Tortajada, Andreu; Menezes Correia, Jose Tiago; Serrano, Eloisa; Monleón, Alicia; Tampieri, Alberto; Day, Craig S.; Juliá-Hernández, Francisco; Martin, Ruben","Ligand-Controlled Regiodivergent Catalytic Amidation of Unactivated Secondary Alkyl Bromides","ACS Catalysis","2021","11","16","10223","10227","10.1021/acscatal.1c02913","","","0.71073","MoKα","","0.2162","0.0756","","","0.1124","0.153","","","","","","0.97","","","","has coordinates,has disorder","268415","2021-09-03","19:40:56",""
"4518984","17.2651","0.0013","8.0978","0.0006","20.5663","0.0016","90","","102.933","0.002","90","","2802.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 N4 Ni -","- C32 H40 N4 Ni -","- C128 H160 N16 Ni4 -","4","1","","Tortajada, Andreu; Menezes Correia, Jose Tiago; Serrano, Eloisa; Monleón, Alicia; Tampieri, Alberto; Day, Craig S.; Juliá-Hernández, Francisco; Martin, Ruben","Ligand-Controlled Regiodivergent Catalytic Amidation of Unactivated Secondary Alkyl Bromides","ACS Catalysis","2021","11","16","10223","10227","10.1021/acscatal.1c02913","","","0.71073","MoKα","","0.0863","0.0468","","","0.0965","0.1106","","","","","","1.028","","","","has coordinates,has disorder","268416","2021-09-03","19:41:23",""
"4518985","8.1133","0.0001","10.8783","0.0002","30.3409","0.0005","90","","91.993","0.002","90","","2676.23","0.07","93","2","93","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H42 Fe N2 O2 P2 -","- C19 H42 Fe N2 O2 P2 -","- C76 H168 Fe4 N8 O8 P8 -","4","1","","Townsend, Tanya M.; Bernskoetter, Wesley H.; Hazari, Nilay; Mercado, Brandon Q.","Dehydrogenative Synthesis of Carbamates from Formamides and Alcohols Using a Pincer-Supported Iron Catalyst","ACS Catalysis","2021","11","16","10614","10624","10.1021/acscatal.1c02718","","","1.54184","CuKα","","0.0651","0.0538","","","0.135","0.1445","","","","","","1.054","","","","has coordinates","268417","2021-09-03","19:42:25",""
"4518986","8.1307","0.0005","13.0711","0.0008","13.4922","0.0009","74.165","0.005","79.061","0.005","83.962","0.005","1352.27","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H44 Fe N2 O2 P2 -","- C25 H44 Fe N2 O2 P2 -","- C50 H88 Fe2 N4 O4 P4 -","2","1","","Townsend, Tanya M.; Bernskoetter, Wesley H.; Hazari, Nilay; Mercado, Brandon Q.","Dehydrogenative Synthesis of Carbamates from Formamides and Alcohols Using a Pincer-Supported Iron Catalyst","ACS Catalysis","2021","11","16","10614","10624","10.1021/acscatal.1c02718","","","0.71073","MoKα","","0.1034","0.0638","","","0.145","0.1733","","","","","","1.029","","","","has coordinates","268417","2021-09-03","19:42:28",""
"4518987","11.3294","0.0002","14.7816","0.0003","18.2519","0.0003","110.842","0.0016","92.5202","0.0015","100.479","0.0016","2789.23","0.1","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H48 Fe N2 O2 P2 -","- C24 H48 Fe N2 O2 P2 -","- C96 H192 Fe4 N8 O8 P8 -","4","2","","Townsend, Tanya M.; Bernskoetter, Wesley H.; Hazari, Nilay; Mercado, Brandon Q.","Dehydrogenative Synthesis of Carbamates from Formamides and Alcohols Using a Pincer-Supported Iron Catalyst","ACS Catalysis","2021","11","16","10614","10624","10.1021/acscatal.1c02718","","","0.71073","MoKα","","0.0997","0.0848","","","0.1933","0.1997","","","","","","1.169","","","","has coordinates","268417","2021-09-03","19:42:37",""
"4518988","19.181","0.0006","12.4038","0.0004","22.3606","0.0008","90","","90","","90","","5320","0.3","93","2","93","2","","","","","","","","7","C m c e","-C 2ac 2","64","","","","- C24 H45 Fe N O P2 S -","- C24 H45 Fe N O P2 S -","- C192 H360 Fe8 N8 O8 P16 S8 -","8","0.5","","Townsend, Tanya M.; Bernskoetter, Wesley H.; Hazari, Nilay; Mercado, Brandon Q.","Dehydrogenative Synthesis of Carbamates from Formamides and Alcohols Using a Pincer-Supported Iron Catalyst","ACS Catalysis","2021","11","16","10614","10624","10.1021/acscatal.1c02718","","","0.71073","MoKα","","0.0255","0.0234","","","0.0598","0.0607","","","","","","1.066","","","","has coordinates","268417","2021-09-03","19:42:40",""
"4518989","8.4036","0.0013","8.9796","0.0011","11.167","0.001","79.028","0.009","81.338","0.01","63.09","0.014","735.69","0.18","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 Mo N3 O4 -","- C14 H11 Mo N3 O4 -","- C28 H22 Mo2 N6 O8 -","2","1","","Li, Weikang; Huang, Ming; Liu, Jiahao; Huang, Yong-Liang; Lan, Xiao-Bing; Ye, Zongren; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng","Enhanced Hydride Donation Achieved Molybdenum Catalyzed Direct N-Alkylation of Anilines or Nitroarenes with Alcohols: From Computational Design to Experiment","ACS Catalysis","2021","11","16","10377","10382","10.1021/acscatal.1c02956","","x-ray","1.54184","CuKα","","0.117","0.1079","","","0.2775","0.2885","","","","","","1.089","","","","has coordinates","268418","2021-09-03","19:43:28",""
"4518990","13.3874","0.0002","8.8532","0.0001","25.1701","0.0003","90","","90","","90","","2983.19","0.07","150","0.1","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Mo-1","","- C13 H12 Mo N4 O4 -","- C13 H12 Mo N4 O4 -","- C104 H96 Mo8 N32 O32 -","8","1","","Li, Weikang; Huang, Ming; Liu, Jiahao; Huang, Yong-Liang; Lan, Xiao-Bing; Ye, Zongren; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng","Enhanced Hydride Donation Achieved Molybdenum Catalyzed Direct N-Alkylation of Anilines or Nitroarenes with Alcohols: From Computational Design to Experiment","ACS Catalysis","2021","11","16","10377","10382","10.1021/acscatal.1c02956","","","1.54184","CuKα","","0.0397","0.0347","","","0.0905","0.0946","","","","","","1.077","","","","has coordinates","268419","2021-09-03","19:43:54",""
"4518991","7.898","0.0005","14.1645","0.0008","17.4273","0.001","90","","98.613","0.003","90","","1927.6","0.2","150","2","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 Mo N4 O4 -","- C17 H20 Mo N4 O4 -","- C68 H80 Mo4 N16 O16 -","4","1","","Li, Weikang; Huang, Ming; Liu, Jiahao; Huang, Yong-Liang; Lan, Xiao-Bing; Ye, Zongren; Zhao, Cunyuan; Liu, Yan; Ke, Zhuofeng","Enhanced Hydride Donation Achieved Molybdenum Catalyzed Direct N-Alkylation of Anilines or Nitroarenes with Alcohols: From Computational Design to Experiment","ACS Catalysis","2021","11","16","10377","10382","10.1021/acscatal.1c02956","","","1.34138","GaKα","","0.0665","0.0452","","","0.114","0.1262","","","","","","1.059","","","","has coordinates","268420","2021-09-03","19:44:16",""
"4518992","9.0787","0.0002","9.6059","0.0002","11.9391","0.0003","85.356","0.002","80.16","0.002","68.34","0.002","953.26","0.04","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Br2 N2 Ni -","- C20 H20 Br2 N2 Ni -","- C40 H40 Br4 N4 Ni2 -","2","1","","Kolluru, Srinivas; Singh, Manvendra; Gaskins, Bryce; Boskovic, Zarko","Nickel-Catalyzed Annulations of ortho-Haloarylimines","ACS Catalysis","2021","11","16","10351","10361","10.1021/acscatal.1c03092","","","1.54178","CuKα","","0.0501","0.0368","","","0.0844","0.0891","","","","","","1.043","","","","has coordinates","268421","2021-09-03","19:44:37",""
"4518993","16.5425","0.0005","9.582","0.0003","17.3269","0.0005","90","","109.906","0.001","90","","2582.39","0.14","199.99","","199.99","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Cl N O0.61 P Pd -","- C30 H22 Cl N O0.61 P Pd -","- C120 H88 Cl4 N4 O2.44 P4 Pd4 -","4","1","","Kolluru, Srinivas; Singh, Manvendra; Gaskins, Bryce; Boskovic, Zarko","Nickel-Catalyzed Annulations of ortho-Haloarylimines","ACS Catalysis","2021","11","16","10351","10361","10.1021/acscatal.1c03092","","","1.54178","CuKα","","0.0492","0.0472","","","0.1294","0.1313","","","","","","1.151","","","","has coordinates,has disorder","268422","2021-09-03","19:45:03",""
"4518994","8.9273","0.0003","9.4515","0.0003","11.9381","0.0004","86.117","0.001","80.324","0.001","67.532","0.001","917.58","0.05","199.99","","199.99","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H20 Cl2 N2 Ni -","- C20 H20 Cl2 N2 Ni -","- C40 H40 Cl4 N4 Ni2 -","2","1","","Kolluru, Srinivas; Singh, Manvendra; Gaskins, Bryce; Boskovic, Zarko","Nickel-Catalyzed Annulations of ortho-Haloarylimines","ACS Catalysis","2021","11","16","10351","10361","10.1021/acscatal.1c03092","","","1.54178","CuKα","","0.028","0.0276","","","0.0707","0.071","","","","","","1.068","","","","has coordinates","268423","2021-09-03","19:45:24",""
"4518995","8.0773","0.0004","9.9718","0.0005","13.0748","0.0006","105.435","0.002","91.184","0.002","91.402","0.002","1014.42","0.09","199.99","","199.99","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 Br N2 Ni -","- C23 H24 Br N2 Ni -","- C46 H48 Br2 N4 Ni2 -","2","1","","Kolluru, Srinivas; Singh, Manvendra; Gaskins, Bryce; Boskovic, Zarko","Nickel-Catalyzed Annulations of ortho-Haloarylimines","ACS Catalysis","2021","11","16","10351","10361","10.1021/acscatal.1c03092","","","1.54178","CuKα","","0.027","0.0258","","","0.0669","0.0678","","","","","","1.039","","","","has coordinates","268424","2021-09-03","19:45:47",""
"4518996","8.0595","0.0002","30.6742","0.0007","8.6369","0.0002","90","","112.236","0.002","90","","1976.41","0.09","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Br2 N2 Ni -","- C20 H20 Br2 N2 Ni -","- C80 H80 Br8 N8 Ni4 -","4","1","","Kolluru, Srinivas; Singh, Manvendra; Gaskins, Bryce; Boskovic, Zarko","Nickel-Catalyzed Annulations of ortho-Haloarylimines","ACS Catalysis","2021","11","16","10351","10361","10.1021/acscatal.1c03092","","","1.54178","CuKα","","0.0521","0.041","","","0.1012","0.1063","","","","","","1.004","","","","has coordinates","268425","2021-09-03","19:46:09",""
"4518997","27.33","0.011","9.978","0.004","17.222","0.006","90","","90.618","0.013","90","","4696","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H60 I4 N2 Ni O2 -","- C44 H60 I4 N2 Ni O2 -","- C176 H240 I16 N8 Ni4 O8 -","4","0.5","","Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M.","Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II)","ACS Catalysis","2021","11","16","10208","10222","10.1021/acscatal.1c02790","","","0.71073","MoKα","","0.1036","0.065","","","0.1585","0.1943","","","","","","1.075","","","","has coordinates,has disorder","268427","2021-09-03","19:47:44",""
"4518998","12.7775","0.0013","14.7475","0.0015","15.2774","0.0016","73.188","0.004","86.253","0.004","70.648","0.004","2598.6","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H80 I2 N2 Ni2 O6.5 -","- C50 H80 I2 N2 Ni2 O6.5 -","- C100 H160 I4 N4 Ni4 O13 -","2","1","","Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M.","Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II)","ACS Catalysis","2021","11","16","10208","10222","10.1021/acscatal.1c02790","","","0.71073","MoKα","","0.0524","0.0483","","","0.131","0.1337","","","","","","1.127","","","","has coordinates,has disorder","268427","2021-09-03","19:47:44",""
"4518999","14.7031","0.0009","17.8228","0.0011","23.8035","0.0015","90","","90","","90","","6237.7","0.7","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C64 H82 I2 N6 Ni2 O2 -","- C64 H82 I2 N6 Ni2 O2 -","- C256 H328 I8 N24 Ni8 O8 -","4","0.5","","Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M.","Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II)","ACS Catalysis","2021","11","16","10208","10222","10.1021/acscatal.1c02790","","","0.71073","MoKα","","0.0296","0.0224","","","0.046","0.0487","","","","","","1.08","","","","has coordinates,has disorder","268427","2021-09-03","19:47:45",""
"4519000","11.0239","0.0009","11.4716","0.0009","13.6693","0.0011","81.983","0.003","78.073","0.003","75.856","0.003","1632.8","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H55 I N Ni O P -","- C34 H55 I N Ni O P -","- C68 H110 I2 N2 Ni2 O2 P2 -","2","1","","Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M.","Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II)","ACS Catalysis","2021","11","16","10208","10222","10.1021/acscatal.1c02790","","","0.71073","MoKα","","0.0716","0.0425","","","0.0915","0.1027","","","","","","1.028","","","","has coordinates,has disorder","268427","2021-09-03","19:47:45",""
"4519001","29.259","0.003","29.259","0.003","23.165","0.002","90","","90","","120","","17174","3","100","2","100","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","NiI(PCy3)2 diethyl ether solvate","","","- C36 H66 I Ni P2 -","- C36 H66 I Ni P2 -","- C648 H1188 I18 Ni18 P36 -","18","0.5","","Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M.","Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II)","ACS Catalysis","2021","11","16","10208","10222","10.1021/acscatal.1c02790","","","0.71073","MoKα","","0.0473","0.032","","","0.0784","0.0861","","","","","","1.067","","","","has coordinates","268427","2021-09-03","19:47:45",""
"4519002","7.4617","0.0017","10.686","0.002","10.939","0.003","90","","97.511","0.01","90","","864.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","[(COD)NiI]2","","","- C16 H24 I2 Ni2 -","- C16 H24 I2 Ni2 -","- C32 H48 I4 Ni4 -","2","0.5","","Lohrey, Trevor D.; Cusumano, Alexander Q.; Goddard, William A.; Stoltz, Brian M.","Identifying the Imperative Role of Metal‒Olefin Interactions in Catalytic C‒O Reductive Elimination from Nickel(II)","ACS Catalysis","2021","11","16","10208","10222","10.1021/acscatal.1c02790","","","0.71073","MoKα","","0.0414","0.0278","","","0.0499","0.0546","","","","","","1.052","","","","has coordinates","268427","2021-09-03","19:47:45",""
"4519059","11.7183","0.0004","14.6907","0.0005","21.1331","0.0007","90","","100.812","0.001","90","","3573.5","0.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H56 Cl2 P2 Pd -","- C35 H56 Cl2 P2 Pd -","- C140 H224 Cl8 P8 Pd4 -","4","1","","Zhu, Bin-Bin; Ye, Wen-Bo; He, Zhi-Tao; Zhang, Shu-Sheng; Feng, Chen-Guo; Lin, Guo-Qiang","Regioselective Tandem C–H Alkylation/Coupling Reaction of ortho-Iodophenylethylenes via C,C-Pallada(II)cycles","ACS Catalysis","2021","11","19","12123","12132","10.1021/acscatal.1c03386","","","0.71073","MoKα","","0.0458","0.0394","","","0.1045","0.1099","","","","","","1.039","","","","has coordinates","269481","2021-10-03","19:50:20",""
"4519060","8.1288","0.0002","13.7875","0.0004","16.7891","0.0006","90","","90","","90","","1881.65","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 Br N O3 -","- C20 H18 Br N O3 -","- C80 H72 Br4 N4 O12 -","4","1","","Xia, Jin-Tao; Li, Ling; Hu, Xiang-Ping","Copper-Catalyzed Decarboxylative Propargylic Alkylation of Enol Carbonates: Stereoselective Synthesis of Quaternary α-Amino Acids","ACS Catalysis","2021","11","19","11843","11848","10.1021/acscatal.1c03421","","","0.71073","MoKα","","0.0498","0.0389","","","0.0948","0.1013","","","","","","1.028","","","","has coordinates","269482","2021-10-03","19:50:53",""
"4519061","7.1752","0.0002","8.6053","0.0002","18.3209","0.0005","83.552","0.002","89.982","0.002","67.377","0.003","1036.44","0.05","123","2","123","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H26 Cl2 N3 Rh -","- C21 H26 Cl2 N3 Rh -","- C42 H52 Cl4 N6 Rh2 -","2","1","","Khake, Shrikant M.; Chatani, Naoto","Rh(III)-Catalyzed [3 + 2] Annulation of Aniline Derivatives with Vinylsilanes via C–H Activation/Alkene Cyclization: Access to Highly Regioselective Indoline Derivatives","ACS Catalysis","2021","11","19","12375","12383","10.1021/acscatal.1c03603","","","0.71073","MoKα","","0.0338","0.0303","","","0.0697","0.0715","","","","","","1.039","","","","has coordinates","269483","2021-10-03","19:51:16",""
"4519062","9.4517","0.0005","10.586","0.0007","13.7057","0.0007","109.919","0.006","90.438","0.004","106.701","0.006","1226.4","0.14","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H27 N3 Si -","- C31 H27 N3 Si -","- C62 H54 N6 Si2 -","2","1","","Khake, Shrikant M.; Chatani, Naoto","Rh(III)-Catalyzed [3 + 2] Annulation of Aniline Derivatives with Vinylsilanes via C–H Activation/Alkene Cyclization: Access to Highly Regioselective Indoline Derivatives","ACS Catalysis","2021","11","19","12375","12383","10.1021/acscatal.1c03603","","","1.54184","CuKα","","0.1242","0.0971","","","0.2811","0.3174","","","","","","1.199","","","","has coordinates","269484","2021-10-03","19:51:48",""
"4519063","8.18927","0.00008","12.80314","0.0001","10.83576","0.00009","90","","97.8768","0.0008","90","","1125.39","0.017","140","0.1","140","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C56 H52 N4 O4 -","2","1","","Herraiz, Ana G.; Cramer, Nicolai","Cobalt(III)-Catalyzed Diastereo- and Enantioselective Three-Component C–H Functionalization","ACS Catalysis","2021","11","19","11938","11944","10.1021/acscatal.1c03153","","x-ray","1.54184","CuKα","","0.0273","0.0268","","","0.0682","0.0687","","","","","","1.057","","","","has coordinates","269485","2021-10-03","19:52:09",""
"4519064","10.41118","0.00008","17.39267","0.00012","36.5868","0.0002","90","","90","","90","","6625.07","0.08","140","0.1","140","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C73 H71 Cl3 Co2 I4 O4 -","- C73 H71 Cl3 Co2 I4 O4 -","- C292 H284 Cl12 Co8 I16 O16 -","4","1","","Herraiz, Ana G.; Cramer, Nicolai","Cobalt(III)-Catalyzed Diastereo- and Enantioselective Three-Component C–H Functionalization","ACS Catalysis","2021","11","19","11938","11944","10.1021/acscatal.1c03153","","x-ray","1.54184","CuKα","","0.0465","0.0457","","","0.1226","0.1232","","","","","","1.087","","","","has coordinates","269486","2021-10-03","19:52:41",""
"4519065","15.6752","0.0009","13.0378","0.0008","17.6651","0.0012","90","","110.456","0.002","90","","3382.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H34 N4 O2 -","- C44 H34 N4 O2 -","- C176 H136 N16 O8 -","4","1","","Ankade, Shidheshwar B.; Samal, Pragnya Paramita; Soni, Vineeta; Gonnade, Rajesh G.; Krishnamurty, Sailaja; Punji, Benudhar","Ni(II)-Catalyzed Intramolecular C–H/C–H Oxidative Coupling: An Efficient Route to Functionalized Cycloindolones and Indenoindolones","ACS Catalysis","2021","11","19","12384","12393","10.1021/acscatal.1c03314","","","0.71073","MoKα","","0.0687","0.0458","","","0.1024","0.1179","","","","","","1.018","","","","has coordinates","269487","2021-10-03","19:53:07",""
"4519066","10.5707","0.0012","14.0848","0.0015","22.353","0.002","90","","94.915","0.004","90","","3315.8","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N2 O -","- C21 H20 N2 O -","- C168 H160 N16 O8 -","8","2","","Ankade, Shidheshwar B.; Samal, Pragnya Paramita; Soni, Vineeta; Gonnade, Rajesh G.; Krishnamurty, Sailaja; Punji, Benudhar","Ni(II)-Catalyzed Intramolecular C–H/C–H Oxidative Coupling: An Efficient Route to Functionalized Cycloindolones and Indenoindolones","ACS Catalysis","2021","11","19","12384","12393","10.1021/acscatal.1c03314","","","0.71073","MoKα","","0.0938","0.0558","","","0.1221","0.1432","","","","","","1.069","","","","has coordinates","269488","2021-10-03","19:53:31",""
"4519067","10.1004","0.0014","10.721","0.0013","13.77","0.002","89.487","0.004","78.138","0.005","80.183","0.004","1437.4","0.3","301","2","301","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 O -","- C18 H16 N2 O -","- C72 H64 N8 O4 -","4","2","","Ankade, Shidheshwar B.; Samal, Pragnya Paramita; Soni, Vineeta; Gonnade, Rajesh G.; Krishnamurty, Sailaja; Punji, Benudhar","Ni(II)-Catalyzed Intramolecular C–H/C–H Oxidative Coupling: An Efficient Route to Functionalized Cycloindolones and Indenoindolones","ACS Catalysis","2021","11","19","12384","12393","10.1021/acscatal.1c03314","","","0.71073","MoKα","","0.1164","0.0654","","","0.1461","0.1759","","","","","","1.039","","","","has coordinates","269489","2021-10-03","19:53:54",""
"4519068","15.2287","0.0007","12.7164","0.0005","8.0895","0.0003","90","","92.882","0.001","90","","1564.58","0.11","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N2 Ni O6 -","- C14 H18 N2 Ni O6 -","- C56 H72 N8 Ni4 O24 -","4","0.5","","Ankade, Shidheshwar B.; Samal, Pragnya Paramita; Soni, Vineeta; Gonnade, Rajesh G.; Krishnamurty, Sailaja; Punji, Benudhar","Ni(II)-Catalyzed Intramolecular C–H/C–H Oxidative Coupling: An Efficient Route to Functionalized Cycloindolones and Indenoindolones","ACS Catalysis","2021","11","19","12384","12393","10.1021/acscatal.1c03314","","","1.54178","CuKα","","0.0323","0.0317","","","0.0838","0.0843","","","","","","1.089","","","","has coordinates","269490","2021-10-03","19:54:19",""
"4519069","16.7476","0.0011","9.0897","0.0005","18.6802","0.0012","90","","96.74","0.002","90","","2824","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 N4 O2 -","- C36 H30 N4 O2 -","- C144 H120 N16 O8 -","4","1","","Ankade, Shidheshwar B.; Samal, Pragnya Paramita; Soni, Vineeta; Gonnade, Rajesh G.; Krishnamurty, Sailaja; Punji, Benudhar","Ni(II)-Catalyzed Intramolecular C–H/C–H Oxidative Coupling: An Efficient Route to Functionalized Cycloindolones and Indenoindolones","ACS Catalysis","2021","11","19","12384","12393","10.1021/acscatal.1c03314","","","0.71073","MoKα","","0.0652","0.0452","","","0.1068","0.1212","","","","","","1.031","","","","has coordinates","269491","2021-10-03","19:54:43",""
"4519070","10.5571","0.0002","12.9667","0.0004","21.3679","0.0006","90","","90","","90","","2925.07","0.13","250","2","250","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","VL_909_aftercol_250K","","","- C31 H31 N O6.5 S -","- C31 H31 N O6.5 S -","- C124 H124 N4 O26 S4 -","4","1","","Laina-Martín, Víctor; Humbrías-Martín, Jorge; Mas-Ballesté, Rubén; Fernández-Salas, Jose A.; Alemán, José","Enantioselective Inverse-Electron Demand Aza-Diels–Alder Reaction: ipso,α-Selectivity of Silyl Dienol Ethers","ACS Catalysis","2021","11","19","12133","12145","10.1021/acscatal.1c03390","","","0.71073","MoKα","","0.0567","0.0483","","","0.1353","0.1444","","","","","","0.999","","","","has coordinates,has disorder","269492","2021-10-03","19:55:08",""
"4519098","10.956","0.005","11.975","0.005","22.501","0.009","86.546","0.01","79.404","0.007","67.694","0.01","2684","2","153","","153","","","","","","","","","4","P -1","-P 1","2","","","","- C32 H35 N O4 -","- C32 H35 N O4 -","- C128 H140 N4 O16 -","4","2","","Simlandy, Amit Kumar; Lyu, Mao-Yun; Brown, M. Kevin","Catalytic Arylboration of Spirocyclic Cyclobutenes: Rapid Access to Highly Substituted Spiro[3.n]alkanes","ACS Catalysis","2021","11","20","12815","12820","10.1021/acscatal.1c03491","","","0.71073","MoKα","","0.0672","0.0463","","","0.1089","0.1215","","","","","","1.032","","","","has coordinates","270237","2021-11-03","20:28:32",""
"4519099","9.9066","0.0004","11.0766","0.0004","11.6203","0.0005","112.849","0.001","92.575","0.001","92.484","0.001","1171.31","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H36 B N O4 -","- C24 H36 B N O4 -","- C48 H72 B2 N2 O8 -","2","1","","Simlandy, Amit Kumar; Lyu, Mao-Yun; Brown, M. Kevin","Catalytic Arylboration of Spirocyclic Cyclobutenes: Rapid Access to Highly Substituted Spiro[3.n]alkanes","ACS Catalysis","2021","11","20","12815","12820","10.1021/acscatal.1c03491","","","0.71073","MoKα","","0.074","0.0458","","","0.1031","0.118","","","","","","1.021","","","","has coordinates","270238","2021-11-03","20:29:05",""
"4519100","23.3649","0.0007","11.1865","0.0003","19.019","0.0005","90","","95.1336","0.0011","90","","4951.1","0.2","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C31 H34 Ge -","- C31 H34 Ge -","- C248 H272 Ge8 -","8","1","","Sahoo, Manoj Kumar; Kim, Dongwook; Chang, Sukbok; Park, Jung-Woo","Regioselective Access to α-Vinylsilanes and α-Vinylgermanes by Cobalt-Catalyzed Migratory Hydrofunctionalization of 2-Alkynes","ACS Catalysis","2021","11","20","12777","12784","10.1021/acscatal.1c03769","","","0.71073","MoKα","","0.0268","0.024","","","0.0621","0.0638","","","","","","1.043","","","","has coordinates","270240","2021-11-03","20:29:32",""
"4519101","9.1738","0.0017","10.045","0.002","17.518","0.003","90.845","0.006","96.983","0.006","114.712","0.006","1451.7","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H55 Co P2 -","- C30 H55 Co P2 -","- C60 H110 Co2 P4 -","2","1","","Sahoo, Manoj Kumar; Kim, Dongwook; Chang, Sukbok; Park, Jung-Woo","Regioselective Access to α-Vinylsilanes and α-Vinylgermanes by Cobalt-Catalyzed Migratory Hydrofunctionalization of 2-Alkynes","ACS Catalysis","2021","11","20","12777","12784","10.1021/acscatal.1c03769","","","0.71073","MoKα","","0.1602","0.1351","","","0.3143","0.3252","","","","","","1.16","","","","has coordinates","270241","2021-11-03","20:29:53",""
"4519145","9.0642","0.0012","13.1695","0.0018","24.86","0.003","90","","94.902","0.002","90","","2956.7","0.7","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 B10 N O P Pd -","- C27 H30 B10 N O P Pd -","- C108 H120 B40 N4 O4 P4 Pd4 -","4","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","","0.71073","MoKα","","0.0328","0.0272","","","0.0654","0.0686","","","","","","1.035","","","","has coordinates","271026","2021-12-03","20:44:07",""
"4519146","22.9926","0.0011","6.5798","0.0003","24.1534","0.0012","90","","115.752","0.002","90","","3291.2","0.3","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 B10 O3 -","- C11 H18 B10 O3 -","- C88 H144 B80 O24 -","8","2","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","","0.71073","MoKα","","0.0828","0.0528","","","0.1334","0.1492","","","","","","1.035","","","","has coordinates","271026","2021-12-03","20:44:08",""
"4519147","6.8374","0.0006","18.2868","0.0015","18.8324","0.0016","90","","90","","90","","2354.7","0.3","225","2","225.27","","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- C19 H24 B10 O5 -","- C19 H24 B10 O5 -","- C76 H96 B40 O20 -","4","0.5","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","","1.34138","GaKα","","0.1419","0.1123","","","0.2766","0.2961","","","","","","1.202","","","","has coordinates","271026","2021-12-03","20:44:08",""
"4519148","14.2655","0.0018","19.45","0.003","8.314","0.0011","90","","102.863","0.005","90","","2248.9","0.5","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H21 B10 F3 O -","- C21 H21 B10 F3 O -","- C84 H84 B40 F12 O4 -","4","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","","0.71073","MoKα","","0.0687","0.0464","","","0.1106","0.1199","","","","","","1.068","","","","has coordinates","271026","2021-12-03","20:44:08",""
"4519149","22.445","0.012","8.524","0.005","20.897","0.011","90","","116.232","0.008","90","","3586","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 B10 O9 -","- C35 H36 B10 O9 -","- C140 H144 B40 O36 -","4","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","","0.71073","MoKα","","0.1724","0.0882","","","0.2678","0.3467","","","","","","1.021","","","","has coordinates","271026","2021-12-03","20:44:08",""
"4519150","12.9702","0.0013","13.498","0.0013","16.6031","0.0016","70.165","0.002","71.761","0.002","64.698","0.002","2423.3","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H47 B10 Cl2 N O12 -","- C46 H47 B10 Cl2 N O12 -","- C92 H94 B20 Cl4 N2 O24 -","2","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","x-ray","1.5478","MoKα","","0.1134","0.0834","","","0.2444","0.2836","","","","","","1.069","","","","has coordinates","271026","2021-12-03","20:44:08",""
"4519151","15.475","0.0011","25.5038","0.0019","16.9662","0.0012","90","","102.143","0.002","90","","6546.3","0.8","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H42 B10 N O5 P Pd -","- C43 H42 B10 N O5 P Pd -","- C172 H168 B40 N4 O20 P4 Pd4 -","4","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","x-ray","0.71073","MoKα","","0.1714","0.0747","","","0.1846","0.2321","","","","","","0.979","","","","has coordinates","271026","2021-12-03","20:44:09",""
"4519152","30.248","0.006","12.321","0.002","25.333","0.005","90","","116.221","0.004","90","","8470","3","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C43 H60 B10 O -","- C43 H60 B10 O -","- C344 H480 B80 O8 -","8","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","x-ray","0.71073","MoKα","","0.1938","0.0888","","","0.1818","0.2224","","","","","","1.023","","","","has coordinates","271026","2021-12-03","20:44:09",""
"4519153","24.4616","0.0012","13.4493","0.0006","18.7508","0.0008","90","","100.232","0.002","90","","6070.7","0.5","296","2","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H36 B10 O -","- C31 H36 B10 O -","- C248 H288 B80 O8 -","8","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","x-ray","0.71073","MoKα","","0.17","0.1041","","","0.2454","0.2852","","","","","","1.055","","","","has coordinates","271026","2021-12-03","20:44:10",""
"4519154","10.804","0.005","11.906","0.005","25.209","0.011","90.09","0.009","87.216","0.01","88.784","0.011","3238","2","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C66 H58 B20 F8 N2 O2 -","- C66 H58 B20 F8 N2 O2 -","- C132 H116 B40 F16 N4 O4 -","2","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","x-ray","0.71073","MoKα","","0.2215","0.1538","","","0.3544","0.3904","","","","","","1.071","","","","has coordinates","271026","2021-12-03","20:44:10",""
"4519155","23.4028","0.0015","10.4909","0.0007","17.9732","0.0013","90","","111.455","0.002","90","","4106.9","0.5","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H39 B10 N O3 S -","- C37 H39 B10 N O3 S -","- C148 H156 B40 N4 O12 S4 -","4","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","x-ray","0.71073","MoKα","","0.2007","0.1042","","","0.2526","0.2973","","","","","","1.043","","","","has coordinates,has disorder","271026","2021-12-03","20:44:10",""
"4519156","20.541","0.003","21.748","0.003","21.85","0.003","90","","90","","90","","9761","2","296","2","296.15","","","","","","","","","5","P 2 2 2","P 2 2","16","","","","- C90 H110 B20 N2 O4 -","- C90 H110 B20 N2 O4 -","- C360 H440 B80 N8 O16 -","4","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","x-ray","0.71073","MoKα","","0.1428","0.0683","","","0.1512","0.1897","","","","","","0.957","","","","has coordinates","271026","2021-12-03","20:44:11",""
"4519157","12.427","0.012","37.88","0.04","13.129","0.013","90","","103.168","0.019","90","","6018","10","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H73 B10 N -","- C54 H73 B10 N -","- C216 H292 B40 N4 -","4","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","","0.71073","MoKα","","0.147","0.094","","","0.261","0.32","","","","","","1.05","","","","has coordinates,has disorder","271026","2021-12-03","20:44:11",""
"4519158","11.646","0.002","11.847","0.002","22.42","0.004","91.159","0.003","103.259","0.003","105.903","0.003","2884.2","0.9","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C59 H86 B10 O -","- C59 H86 B10 O -","- C118 H172 B20 O2 -","2","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","x-ray","0.71073","MoKα","","0.155","0.0775","","","0.179","0.22","","","","","","1.013","","","","has coordinates,has disorder","271026","2021-12-03","20:44:11",""
"4519159","14.9214","0.0009","15.0111","0.001","17.2386","0.0013","108.538","0.002","106.645","0.002","102.932","0.002","3290","0.4","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H83 B9 Cl3 N2 O2 -","- C60 H83 B9 Cl3 N2 O2 -","- C120 H166 B18 Cl6 N4 O4 -","2","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","x-ray","0.71073","MoKα","","0.1456","0.0837","","","0.2288","0.2717","","","","","","1.001","","","","has coordinates,has disorder","271026","2021-12-03","20:44:11",""
"4519160","10.816","0.0018","16.257","0.003","21.721","0.004","100.657","0.01","92.975","0.011","92.071","0.011","3744.3","1.2","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C93 H67 B10 N5 O6 -","- C93 H67 B10 N5 O6 -","- C186 H134 B20 N10 O12 -","2","1","","Cao, Hou-ji; Chen, Meng; Sun, Fangxiang; Zhao, Yue; Lu, Changsheng; Zhang, Xiaolei; Shi, Zhuangzhi; Yan, Hong","Variable Metal Chelation Modes and Activation Sequence in Pd-Catalyzed B–H Poly-arylation of Carboranes","ACS Catalysis","2021","11","22","14047","14057","10.1021/acscatal.1c04473","","","1.34139","GaKα","","0.2533","0.1008","","","0.2114","0.2683","","","","","","1.074","","","","has coordinates,has disorder","271026","2021-12-03","20:44:11",""
"4519161","10.2419","0.0003","15.1653","0.0005","10.3309","0.0003","90","","103.069","0.003","90","","1563.05","0.08","294.3","0.8","294.3","0.8","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H42 I N2 O3 P -","- C28 H42 I N2 O3 P -","- C56 H84 I2 N4 O6 P2 -","2","1","","Chen, Yuan; Yu, Zhaoyuan; Jiang, Zhiyu; Tan, Jian-Ping; Wu, Jia-Hong; Lan, Yu; Ren, Xiaoyu; Wang, Tianli","Asymmetric Construction of Tertiary/Secondary Carbon–Phosphorus Bonds via Bifunctional Phosphonium Salt Catalyzed 1,6-Addition","ACS Catalysis","2021","11","22","14168","14180","10.1021/acscatal.1c03149","","x-ray","1.54184","CuKα","","0.0664","0.0643","","","0.1636","0.1704","","","","","","1.047","","","","has coordinates","271027","2021-12-03","20:45:53",""
"4519162","10.772","0.0004","13.7803","0.0006","13.8713","0.0006","90","","90","","90","","2059.08","0.15","292.08","0.18","292.08","0.18","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H21 O3 P -","- C25 H21 O3 P -","- C100 H84 O12 P4 -","4","1","","Chen, Yuan; Yu, Zhaoyuan; Jiang, Zhiyu; Tan, Jian-Ping; Wu, Jia-Hong; Lan, Yu; Ren, Xiaoyu; Wang, Tianli","Asymmetric Construction of Tertiary/Secondary Carbon–Phosphorus Bonds via Bifunctional Phosphonium Salt Catalyzed 1,6-Addition","ACS Catalysis","2021","11","22","14168","14180","10.1021/acscatal.1c03149","","x-ray","1.54184","CuKα","","0.063","0.0608","","","0.1528","0.1572","","","","","","1.051","","","","has coordinates","271028","2021-12-03","20:46:15",""
"4519163","11.8935","0.0012","13.9039","0.0016","21.127","0.003","90","","90","","90","","3493.7","0.7","150","2","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C33 H37 Cl3 N O4 P S -","- C33 H37 Cl3 N O4 P S -","- C132 H148 Cl12 N4 O16 P4 S4 -","4","1","","Fang, Siqiang; Liu, Zanjiao; Zhang, Hongkui; Pan, Jianke; Chen, Yuan; Ren, Xiaoyu; Wang, Tianli","Access to S-Stereogenic Free Sulfoximines via Bifunctional Phosphonium Salt-Catalyzed Desymmetrization of Bisphenols","ACS Catalysis","2021","11","22","13902","13912","10.1021/acscatal.1c03966","","","0.71073","MoKα","","0.124","0.0739","","","0.1704","0.2019","","","","","","1.048","","","","has coordinates","271029","2021-12-03","20:46:44",""
"4519164","9.0907","0.0003","19.9189","0.0008","10.3884","0.0004","90","","94.407","0.001","90","","1875.54","0.12","304","","304","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H17 N O5 S2 -","- C19 H17 N O5 S2 -","- C76 H68 N4 O20 S8 -","4","2","","Fang, Siqiang; Liu, Zanjiao; Zhang, Hongkui; Pan, Jianke; Chen, Yuan; Ren, Xiaoyu; Wang, Tianli","Access to S-Stereogenic Free Sulfoximines via Bifunctional Phosphonium Salt-Catalyzed Desymmetrization of Bisphenols","ACS Catalysis","2021","11","22","13902","13912","10.1021/acscatal.1c03966","","","0.71073","MoKα","","0.0664","0.044","","","0.1","0.1132","","","","","","1.018","","","","has coordinates","271030","2021-12-03","20:47:06",""
"4519165","5.693","0.002","7.6997","0.0014","17.596","0.004","90","","90.139","0.016","90","","771.3","0.4","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 -","- C19 H18 N2 -","- C38 H36 N4 -","2","1","","Long, Jinguo; Xia, Shaomiao; Wang, Ting; Cheng, Gui-Juan; Fang, Xianjie","Nickel-Catalyzed Regiodivergent Cyanation of Allylic Alcohols: Scope, Mechanism, and Application to the Synthesis of 1,n-Dinitriles","ACS Catalysis","2021","11","22","13880","13890","10.1021/acscatal.1c03729","","","1.54178","CuKα","","0.1057","0.0392","","","0.1027","0.1169","","","","","","1.028","","","","has coordinates","271031","2021-12-03","20:47:27",""
"4519166","6.4329","0.0001","12.0639","0.0002","35.625","0.0005","90","","90","","90","","2764.71","0.07","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C31 H50 N2 -","- C31 H50 N2 -","- C124 H200 N8 -","4","1","","Long, Jinguo; Xia, Shaomiao; Wang, Ting; Cheng, Gui-Juan; Fang, Xianjie","Nickel-Catalyzed Regiodivergent Cyanation of Allylic Alcohols: Scope, Mechanism, and Application to the Synthesis of 1,n-Dinitriles","ACS Catalysis","2021","11","22","13880","13890","10.1021/acscatal.1c03729","","","1.54178","CuKα","","0.0344","0.0321","","","0.082","0.0844","","","","","","1.023","","","","has coordinates","271032","2021-12-03","20:47:49",""
"4519167","10.2524","0.0001","10.0212","0.0001","19.2295","0.0002","90","","90.56","0.001","90","","1975.57","0.03","149.99","0.1","149.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H57 O P -","- C48 H57 O P -","- C96 H114 O2 P2 -","2","1","","Zhang, Xi; Wang, Juan; Yang, Shang-Dong","Enantioselective Cobalt-Catalyzed Reductive Cross-Coupling for the Synthesis of Axially Chiral Phosphine–Olefin Ligands","ACS Catalysis","2021","11","22","14008","14015","10.1021/acscatal.1c04128","","x-ray","1.54184","CuKα","","0.0473","0.0428","","","0.1019","0.1034","","","","","","1.116","","","","has coordinates","271033","2021-12-03","20:48:12",""
"4519168","10.697","0.004","5.5963","0.0019","12.344","0.004","90","","113.17","0.04","90","","679.4","0.5","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H15 F3 O -","- C15 H15 F3 O -","- C30 H30 F6 O2 -","2","1","","Zhang, Xinyu; Sivaguru, Paramasivam; Zanoni, Giuseppe; Han, Xinyue; Tong, Minghui; Bi, Xihe","Catalytic Asymmetric C(sp3)–H Carbene Insertion Approach to Access Enantioenriched 3-Fluoroalkyl 2,3-Dihydrobenzofurans","ACS Catalysis","2021","11","22","14293","14301","10.1021/acscatal.1c04523","","x-ray","0.71073","MoKα","","0.0754","0.0485","","","0.1042","0.1261","","","","","","1.045","","","","has coordinates","271034","2021-12-03","20:48:34",""
"4519169","10.224","0.0003","15.6567","0.0005","20.8337","0.0007","102.492","0.001","90.645","0.001","99.746","0.001","3205.02","0.18","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H28 F7 N2 O2 P Pd -","- C33 H28 F7 N2 O2 P Pd -","- C132 H112 F28 N8 O8 P4 Pd4 -","4","2","","Xue, Yuan; Park, Han Seul; Jiang, Chao; Yu, Jin-Quan","Palladium-Catalyzed β-C(sp3)–H Nitrooxylation of Ketones and Amides Using Practical Oxidants","ACS Catalysis","2021","11","22","14188","14193","10.1021/acscatal.1c04188","","","0.71073","MoKα","","0.0496","0.0371","","","0.082","0.0912","","","","","","1.041","","","","has coordinates,has disorder","271035","2021-12-03","20:48:58",""
"4519170","9.0926","0.0002","10.8538","0.0003","11.6733","0.0003","79.296","0.001","87.955","0.001","81.181","0.001","1118.57","0.05","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 F7 N3 O5 -","- C21 H18 F7 N3 O5 -","- C42 H36 F14 N6 O10 -","2","1","","Xue, Yuan; Park, Han Seul; Jiang, Chao; Yu, Jin-Quan","Palladium-Catalyzed β-C(sp3)–H Nitrooxylation of Ketones and Amides Using Practical Oxidants","ACS Catalysis","2021","11","22","14188","14193","10.1021/acscatal.1c04188","","","1.34139","GaKα","","0.0584","0.0534","","","0.1558","0.1606","","","","","","1.083","","","","has coordinates","271036","2021-12-03","20:49:19",""
"4519171","11.2474","0.0002","12.9764","0.0003","13.8903","0.0003","112.797","0.0009","92.8492","0.001","93.8959","0.001","1858.24","0.07","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H49 Cl2 N3 O Ru -","- C41 H49 Cl2 N3 O Ru -","- C82 H98 Cl4 N6 O2 Ru2 -","2","1","","Park, Seongwook; Byun, Seunghwan; Ryu, Huijeoung; Hahm, Hyungwoo; Lee, Junseong; Hong, Sukwon","Reversibly Photoswitchable Catalysts for Olefin Metathesis Reactions","ACS Catalysis","2021","11","22","13860","13865","10.1021/acscatal.1c04281","","","0.71073","MoKα","","0.0405","0.0309","","","0.0799","0.1054","","","","","","1.295","","","","has coordinates","271037","2021-12-03","20:49:41",""
"4519172","12.4452","0.0014","8.0989","0.0007","17.7051","0.0015","90","","108.065","0.011","90","","1696.6","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C80 H64 N8 O16 -","4","1","","Zhao, Fei; Zhou, Zhi; Lu, Yangbin; Qiao, Jin; Zhang, Xiaoning; Gong, Xin; Liu, Siyu; Lin, Shuang; Wu, Xiaowei; Yi, Wei","Chemo-, Regio-, and Stereoselective Assembly of Polysubstituted Furan-2(5H)-ones Enabled by Rh(III)-Catalyzed Domino C–H Alkenylation/Directing Group Migration/Lactonization: A Combined Experimental and Computational Study","ACS Catalysis","2021","11","22","13921","13934","10.1021/acscatal.1c03846","","x-ray","0.71073","MoKα","","0.0735","0.0502","","","0.1056","0.1185","","","","","","1.065","","","","has coordinates","271038","2021-12-03","20:50:02",""
"4519173","5.2145","0.0004","15.0019","0.0017","21.336","0.0012","92.576","0.008","90.425","0.007","90.701","0.008","1667.2","0.2","179","40","179","40","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N O2 -","- C21 H21 N O2 -","- C84 H84 N4 O8 -","4","2","","Zhao, Fei; Zhou, Zhi; Lu, Yangbin; Qiao, Jin; Zhang, Xiaoning; Gong, Xin; Liu, Siyu; Lin, Shuang; Wu, Xiaowei; Yi, Wei","Chemo-, Regio-, and Stereoselective Assembly of Polysubstituted Furan-2(5H)-ones Enabled by Rh(III)-Catalyzed Domino C–H Alkenylation/Directing Group Migration/Lactonization: A Combined Experimental and Computational Study","ACS Catalysis","2021","11","22","13921","13934","10.1021/acscatal.1c03846","","x-ray","1.54184","CuKα","","0.1559","0.1135","","","0.3191","0.3639","","","","","","1.081","","","","has coordinates","271039","2021-12-03","20:50:25",""
"4519174","9.1689","0.0008","9.169","0.0008","11.0996","0.0009","88.373","0.007","77.566","0.007","71.735","0.008","864.57","0.14","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N2 O5 -","- C19 H22 N2 O5 -","- C38 H44 N4 O10 -","2","1","","Zhao, Fei; Zhou, Zhi; Lu, Yangbin; Qiao, Jin; Zhang, Xiaoning; Gong, Xin; Liu, Siyu; Lin, Shuang; Wu, Xiaowei; Yi, Wei","Chemo-, Regio-, and Stereoselective Assembly of Polysubstituted Furan-2(5H)-ones Enabled by Rh(III)-Catalyzed Domino C–H Alkenylation/Directing Group Migration/Lactonization: A Combined Experimental and Computational Study","ACS Catalysis","2021","11","22","13921","13934","10.1021/acscatal.1c03846","","x-ray","1.54184","CuKα","","0.0655","0.0557","","","0.1536","0.1662","","","","","","1.047","","","","has coordinates","271040","2021-12-03","20:50:46",""
"4519175","5.474","0.0003","30.8299","0.0018","10.1841","0.0006","90","","103.872","0.007","90","","1668.57","0.17","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N2 O4 -","- C19 H22 N2 O4 -","- C76 H88 N8 O16 -","4","1","","Zhao, Fei; Zhou, Zhi; Lu, Yangbin; Qiao, Jin; Zhang, Xiaoning; Gong, Xin; Liu, Siyu; Lin, Shuang; Wu, Xiaowei; Yi, Wei","Chemo-, Regio-, and Stereoselective Assembly of Polysubstituted Furan-2(5H)-ones Enabled by Rh(III)-Catalyzed Domino C–H Alkenylation/Directing Group Migration/Lactonization: A Combined Experimental and Computational Study","ACS Catalysis","2021","11","22","13921","13934","10.1021/acscatal.1c03846","","x-ray","1.54184","CuKα","","0.088","0.0754","","","0.195","0.2075","","","","","","1.084","","","","has coordinates","271041","2021-12-03","20:51:08",""
"4519176","9.7613","0.0005","8.8089","0.0004","15.2633","0.0008","90","","107.035","0.003","90","","1254.85","0.11","200","1","200","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 N2 O -","- C14 H16 N2 O -","- C56 H64 N8 O4 -","4","1","","Bories, Cassandre C.; Barbazanges, Marion; Derat, Etienne; Petit, Marc","Implication of a Silyl Cobalt Dihydride Complex as a Useful Catalyst for the Hydrosilylation of Imines","ACS Catalysis","2021","11","22","14262","14273","10.1021/acscatal.1c03886","","","1.54178","CuKα","","0.043","0.0368","","","0.0938","0.0982","","","","","","1.031","","","","has coordinates","271042","2021-12-03","20:51:29",""
"4519177","9.0544","0.0005","18.8627","0.001","9.465","0.0005","90","","115.243","0.003","90","","1462.16","0.14","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H44 Co P3 Si -","- C27 H44 Co P3 Si -","- C54 H88 Co2 P6 Si2 -","2","1","","Bories, Cassandre C.; Barbazanges, Marion; Derat, Etienne; Petit, Marc","Implication of a Silyl Cobalt Dihydride Complex as a Useful Catalyst for the Hydrosilylation of Imines","ACS Catalysis","2021","11","22","14262","14273","10.1021/acscatal.1c03886","","","0.71073","MoKα","","0.0375","0.0301","","","0.0617","0.0639","","","","","","1.015","","","","has coordinates","271043","2021-12-03","20:51:50",""
"4519178","10.6577","0.001","12.06","0.0011","17.0706","0.0015","90","","97.183","0.002","90","","2176.9","0.3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H21 F6 Ir N2 O4 -","- C20 H21 F6 Ir N2 O4 -","- C80 H84 F24 Ir4 N8 O16 -","4","1","","Zhou, Xiaoguang; Malakar, Santanu; Dugan, Thomas; Wang, Kun; Sattler, Aaron; Marler, David O.; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Alkane Dehydrogenation Catalyzed by a Fluorinated Phebox Iridium Complex","ACS Catalysis","2021","11","22","14194","14209","10.1021/acscatal.1c03562","","","0.71073","MoKα","","0.0368","0.0305","","","0.0679","0.0707","","","","","","1.004","","","","has coordinates","271044","2021-12-03","20:52:13",""
"4519179","5.1608","0.0001","12.7726","0.0004","25.3964","0.0007","90","","93.866","0.002","90","","1670.24","0.08","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Kirinde Arachchige, Pandula T.; Handunneththige, Suhashini; Talipov, Marat R.; Kalutharage, Nishantha; Yi, Chae S.","Scope and Mechanism of the Redox-Active 1,2-Benzoquinone Enabled Ruthenium-Catalyzed Deaminative α-Alkylation of Ketones with Amines","ACS Catalysis","2021","11","22","13962","13972","10.1021/acscatal.1c04732","","x-ray","0.71073","MoKα","","0.0746","0.0513","","","0.1156","0.1295","","","","","","1.031","","","","has coordinates,has disorder","271045","2021-12-03","20:52:40",""
"4519180","7.5807","0.00012","11.25264","0.00018","21.8958","0.0005","90","","97.6552","0.0019","90","","1851.13","0.06","100","0.14","100","0.14","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 N O -","- C22 H29 N O -","- C88 H116 N4 O4 -","4","2","","Kirinde Arachchige, Pandula T.; Handunneththige, Suhashini; Talipov, Marat R.; Kalutharage, Nishantha; Yi, Chae S.","Scope and Mechanism of the Redox-Active 1,2-Benzoquinone Enabled Ruthenium-Catalyzed Deaminative α-Alkylation of Ketones with Amines","ACS Catalysis","2021","11","22","13962","13972","10.1021/acscatal.1c04732","","x-ray","1.54184","CuKα","","0.0599","0.0527","","","0.142","0.1509","","","","","","1.024","","","","has coordinates,has disorder","271046","2021-12-03","20:53:08",""
"4519181","20.07721","0.00019","13.38539","0.00014","17.77134","0.00018","90","","90.3343","0.0009","90","","4775.81","0.08","100.3","0.9","100.3","0.9","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H86 O3 P2 Ru -","- C51 H86 O3 P2 Ru -","- C204 H344 O12 P8 Ru4 -","4","1","","Kirinde Arachchige, Pandula T.; Handunneththige, Suhashini; Talipov, Marat R.; Kalutharage, Nishantha; Yi, Chae S.","Scope and Mechanism of the Redox-Active 1,2-Benzoquinone Enabled Ruthenium-Catalyzed Deaminative α-Alkylation of Ketones with Amines","ACS Catalysis","2021","11","22","13962","13972","10.1021/acscatal.1c04732","","x-ray","1.54184","CuKα","","0.0358","0.0319","","","0.0821","0.0856","","","","","","1.027","","","","has coordinates","271047","2021-12-03","20:53:46",""
"4519245","9.2834","0.0006","9.3346","0.0006","15.0022","0.001","91.257","0.002","105.396","0.002","99.442","0.002","1233.47","0.14","100","2","100.01","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H18 Cl2 Co N4 O6 -","- C25 H18 Cl2 Co N4 O6 -","- C50 H36 Cl4 Co2 N8 O12 -","2","1","","Liu, Chang; Geer, Ana M.; Webber, Christopher; Musgrave, Charles B.; Gu, Shunyan; Johnson, Grayson; Dickie, Diane A.; Chabbra, Sonia; Schnegg, Alexander; Zhou, Hua; Sun, Cheng-Jun; Hwang, Sooyeon; Goddard, William A.; Zhang, Sen; Gunnoe, T. Brent","Immobilization of “Capping Arene” Cobalt(II) Complexes on Ordered Mesoporous Carbon for Electrocatalytic Water Oxidation","ACS Catalysis","2021","11","24","15068","15082","10.1021/acscatal.1c04617","","x-ray","0.71073","MoKα","","0.0408","0.0288","","","0.0639","0.0688","","","","","","1.029","","","","has coordinates,has disorder","271741","2022-01-03","20:59:58",""
"4519246","24.944","0.0008","10.3178","0.0004","33.2933","0.001","90","","93.102","0.002","90","","8556","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C81 H57 Cl2 Co4 N24 O24 -","- C81 H57 Cl2 Co4 N24 O24 -","- C324 H228 Cl8 Co16 N96 O96 -","4","1","","Liu, Chang; Geer, Ana M.; Webber, Christopher; Musgrave, Charles B.; Gu, Shunyan; Johnson, Grayson; Dickie, Diane A.; Chabbra, Sonia; Schnegg, Alexander; Zhou, Hua; Sun, Cheng-Jun; Hwang, Sooyeon; Goddard, William A.; Zhang, Sen; Gunnoe, T. Brent","Immobilization of “Capping Arene” Cobalt(II) Complexes on Ordered Mesoporous Carbon for Electrocatalytic Water Oxidation","ACS Catalysis","2021","11","24","15068","15082","10.1021/acscatal.1c04617","","","1.54178","CuKα","","0.1458","0.0797","","","0.1877","0.231","","","","","","1.021","","","","has coordinates,has disorder","271741","2022-01-03","20:59:58",""
"4519247","6.0388","0.0004","7.0061","0.0004","31.925","0.002","90","","95.408","0.002","90","","1344.68","0.14","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N S -","- C16 H19 N S -","- C64 H76 N4 S4 -","4","1","","Xu, Xian; Zheng, Xizhou; Xu, Xin","Synthesis of Tetrahydroquinolines by Scandium-Catalyzed [3 + 3] Annulation of Anilines with Allenes and Dienes","ACS Catalysis","2021","11","24","14995","15003","10.1021/acscatal.1c04657","","","0.71073","MoKα","","0.058","0.0438","","","0.109","0.1206","","","","","","1.066","","","","has coordinates","271742","2022-01-03","21:00:26",""
"4519248","10.1618","0.0005","13.2018","0.0006","13.798","0.0006","92.736","0.002","93.818","0.002","93.332","0.002","1841.35","0.15","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H50 N2 -","- C48 H50 N2 -","- C96 H100 N4 -","2","1","","Xu, Xian; Zheng, Xizhou; Xu, Xin","Synthesis of Tetrahydroquinolines by Scandium-Catalyzed [3 + 3] Annulation of Anilines with Allenes and Dienes","ACS Catalysis","2021","11","24","14995","15003","10.1021/acscatal.1c04657","","","1.34138","GaKα","","0.092","0.0555","","","0.1323","0.1518","","","","","","1.046","","","","has coordinates","271743","2022-01-03","21:00:52",""
"4519249","8.1567","0.0014","10.4245","0.0019","35.595","0.006","90","","90","","90","","3026.6","0.9","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 F12 Fe N8 P2 -","- C26 H26 F12 Fe N8 P2 -","- C104 H104 F48 Fe4 N32 P8 -","4","1","","Gonell, Sergio; Assaf, Eric A.; Lloret-Fillol, Julio; Miller, Alexander J. M.","An Iron Bis(carbene) Catalyst for Low Overpotential CO2 Electroreduction to CO: Mechanistic Insights from Kinetic Zone Diagrams, Spectroscopy, and Theory","ACS Catalysis","2021","11","24","15212","15222","10.1021/acscatal.1c04414","","","0.71073","MoKα","","0.0828","0.0762","","","0.1746","0.1771","","","","","","1.209","","","","has coordinates,has disorder","271744","2022-01-03","21:01:18",""
"4519250","15.2089","0.0014","6.4415","0.0005","15.8188","0.0013","90","","103.255","0.009","90","","1508.5","0.2","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H18 N2 O5 S -","- C13 H18 N2 O5 S -","- C52 H72 N8 O20 S4 -","4","2","","Li, Shuangqing; Wang, Shuangshuang; Li, Juan; Qi, Yue; Wang, Chao; Zong, Lili; Tan, Choon-Hong","Monocationic Cinchoninium Catalyzed Asymmetric Oxohydroxylation of Enoates","ACS Catalysis","2021","11","24","15141","15148","10.1021/acscatal.1c04849","","x-ray","0.71073","MoKα","","0.0742","0.0572","","","0.108","0.1196","","","","","","1.019","","","","has coordinates","271745","2022-01-03","21:01:54",""
"4519251","11.2477","0.0007","11.2911","0.0007","11.5245","0.0007","85.163","0.004","69.406","0.003","65.577","0.003","1244.26","0.14","233","2","233","2","","","","","","","","5","P 1","P 1","1","","","","- C28 H31 N O4 S -","- C28 H31 N O4 S -","- C56 H62 N2 O8 S2 -","2","2","","Hirose, Jumpei; Wakikawa, Takumi; Satake, Shun; Kojima, Masahiro; Hatano, Manabu; Ishihara, Kazuaki; Yoshino, Tatsuhiko; Matsunaga, Shigeki","Cp*RhIII/Chiral Disulfonate/CuOAc Catalyst System for the Enantioselective Intramolecular Oxyamination of Alkenes","ACS Catalysis","2021","11","24","15187","15193","10.1021/acscatal.1c04699","","","1.5418","CuKα","","0.0396","0.0377","","","0.1048","0.1062","","","","","","1.062","","","","has coordinates","271746","2022-01-03","21:02:16",""
"5000108","14.8","0.1","16.7","0.1","3.97","0.03","90","","97","5","90","","973.91","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","caffeine monohydrate","1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione hydrate","","- C8 H12 N4 O3 -","- C8 H10 N4 O3 -","- C32 H40 N16 O12 -","4","1","","Sutor, D. J.","The structures of the pyrimidines and purines. VII. The crystal structure of caffeine","Acta Crystallographica","1958","11","7","453","458","10.1107/S0365110X58001286","","","","","","","","","","","","","","","","","","","","","has coordinates","267935","2021-08-04","09:03:05",""
"5000162","4","0.2","20.67","0.06","5.11","0.02","90","","101.8","0.5","90","","413.57","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 O2 -","- C4 O2 -","- C16 O8 -","4","1","","Kay, M. I.; Katz, L.","A refinement of the crystal structure of ketene dimer","Acta Crystallographica","1958","11","12","897","898","10.1107/S0365110X58002565","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000206","11.068","0.003","13.385","0.003","13.625","0.004","100.64","0.04","90.91","0.04","97.74","0.04","1963.98","","","","","","","","","","","","","3","P -1","-P 1","2","","","","- C11 H14 O2 -","- C11 H14 O2 -","- C88 H112 O16 -","8","4","","van Koningsveld, H.","","Crystal Structure Communications","1982","11","","1423","","","","","","","","","","","","","","","","","","","","","","","has coordinates","175433","2020-10-21","18:00:00",""
"6000286","10.1405","","10.1496","","21.6599","","90","","90","","90","","2229.28","","","","","","","","","","","","","4","P3c&","","","","","","- Ba5 Cu Ir3 O12 -","","","","","","Blake, G. R.; Battle, P. D.; Sloan, J.; Vente, J. F.; Darriet, J.; Weill, F.","Neutron diffraction study of the structures of Ba5CuIr3O12 and Ba16Cu3Ir10O39","Chemistry of Materials","1999","11","","1551","1558","10.1021/cm9807844","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000287","10.1344","","10.1344","","35.0564","","90","","90","","120","","3118.14","","","","","","","","","","","","","4","P 3 2 1","","","","","","- Ba16 Cu3 Ir10 O39 -","","","","","","Blake, G. R.; Battle, P. D.; Sloan, J.; Vente, J. F.; Darriet, J.; Weill, F.","Neutron diffraction study of the structures of Ba5CuIr3O12 and Ba16Cu3Ir10O39","Chemistry of Materials","1999","11","","1551","1558","10.1021/cm9807844","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000288","11.4612","0.0008","11.4612","0.0008","8.904","0.0008","90","","90","","90","","1169.62","","","","","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C4 H8 K O12 Y -","- C4 H8 K O12 Y -","- C16 H32 K4 O48 Y4 -","4","0.25","","Bataille, T.; Auffredic, J. P.; Louer, D.","Ab initio structure determination and dehydration dynamics of YK(C2O4)(2).4H(2)O studied by X-ray powder diffraction","Chemistry of Materials","1999","11","","1559","1567","10.1021/cm981155x","","","1.5406","","","","","","","","","","","","","","","","","","has coordinates","277869","2022-09-15","09:05:59",""
"6000318","3.7368","","3.7368","","27.086","","90","","90","","90","","378.23","","","","","","","","","","","","","4","I 4/m m m","","","","","","- Ca4 Fe Mn2 O9.75 -","","","","","","Battle, P. D.; Branford, W. R.; Mihut, A.; Rosseinsky, M. J.; Singleton, J.; Sloan, J.; Spring, L. E.; Vente, J. F.","Structural chemistry and electronic properties of the n=3 Ruddlesden-Popper phases Ca4Mn2FeO9.75 and Sr4Mn2FeO9.80","Chemistry of Materials","1999","11","","674","683","10.1021/cm9807384","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000319","3.8339","","3.8339","","27.8148","","90","","90","","90","","408.85","","","","","","","","","","","","","4","I 4/m m m","","","","","","- Fe Mn2 O9.8 Sr4 -","","","","","","Battle, P. D.; Branford, W. R.; Mihut, A.; Rosseinsky, M. J.; Singleton, J.; Sloan, J.; Spring, L. E.; Vente, J. F.","Structural chemistry and electronic properties of the n=3 Ruddlesden-Popper phases Ca4Mn2FeO9.75 and Sr4Mn2FeO9.80","Chemistry of Materials","1999","11","","674","683","10.1021/cm9807384","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000320","3.8128","0.0001","3.8128","0.0001","27.568","0.001","90","","90","","90","","402.6","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Co La2 O10 Ti3 -","- Co La2 O10 Ti3 -","- Co2 La4 O20 Ti6 -","2","0.0625","","Hyeon, K. A.; Byeon, S. H.","Synthesis and structure of new layered oxides, (MLa2Ti3O10)-La-II (M = Co, Cu, and Zn)","Chemistry of Materials","1999","11","","352","357","10.1021/cm980581f","","","","","","","","","","","","","","","","","","","","","has coordinates","203340","2020-10-21","18:00:00",""
"6000321","3.8248","0.0002","3.8248","0.0002","26.329","0.001","90","","90","","90","","385.17","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- Cu La2 O10 Ti3 -","- Cu La2 O10 Ti3 -","- Cu2 La4 O20 Ti6 -","2","0.0625","","Hyeon, K. A.; Byeon, S. H.","Synthesis and structure of new layered oxides, (MLa2Ti3O10)-La-II (M = Co, Cu, and Zn)","Chemistry of Materials","1999","11","","352","357","10.1021/cm980581f","","","","","","","","","","","","","","","","","","","","","has coordinates","203340","2020-10-21","18:00:00",""
"6000322","3.8127","0.0001","3.8127","0.0001","27.5129","0.0009","90","","90","","90","","399.95","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- La2 O10 Ti3 Zn -","- La2 O10 Ti3 Zn -","- La4 O20 Ti6 Zn2 -","2","0.0625","","Hyeon, K. A.; Byeon, S. H.","Synthesis and structure of new layered oxides, (MLa2Ti3O10)-La-II (M = Co, Cu, and Zn)","Chemistry of Materials","1999","11","","352","357","10.1021/cm980581f","","","","","","","","","","","","","","","","","","","","","has coordinates","203340","2020-10-21","18:00:00",""
"6000323","18.167","","5.085","","8.658","","90","","93.63","","90","","798.21","","","","","","","","","","","","","5","P 1 21/n 1","","","","","","- C3 H8 O6 P2 Zn -","","","","","","Poojary, D. M.; Zhang, B. L.; Clearfield, A.","Syntheses and X-ray powder structures of two zinc propylenebis(phosphonates)","Chemistry of Materials","1999","11","2","421","426","10.1021/cm980641h","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000324","20.5853","","5.0472","","18.014","","90","","97.226","","90","","1856.76","","","","","","","","","","","","","5","C 1 2/c 1","","","","","","- C6 H18 O14 P4 Zn3 -","","","","","","Poojary, D. M.; Zhang, B. L.; Clearfield, A.","Syntheses and X-ray powder structures of two zinc propylenebis(phosphonates)","Chemistry of Materials","1999","11","2","421","426","10.1021/cm980641h","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000346","5.4897","","5.5195","","7.1758","","90","","90","","90","","217.43","","","","","","","","","","","","","4","I b a m","","","","","","- Ag2 Bi O6 Ti2 -","","","","","","Park, J. H.; Woodward, P. M.; Parise, J. B.; Reeder, R. J.; Lubomirsky, I.; Stafsudd, O.","Synthesis, structure, and dielectric properties of (Bi1/2Ag1/2)TiO3","Chemistry of Materials","1999","11","","177","183","10.1021/cm9806533","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000347","5.5166","","5.5166","","7.8134","","90","","90","","90","","237.79","","","","573","","","","","","","","","4","I 4/m c m","","","","","","- Ag2 Bi O6 Ti2 -","","","","","","Park, J. H.; Woodward, P. M.; Parise, J. B.; Reeder, R. J.; Lubomirsky, I.; Stafsudd, O.","Synthesis, structure, and dielectric properties of (Bi1/2Ag1/2)TiO3","Chemistry of Materials","1999","11","","177","183","10.1021/cm9806533","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000348","3.9061","","3.9061","","3.9061","","90","","90","","90","","59.6","","","","673","","","","","","","","","4","P m -3 m","","","","","","- Ag2 Bi O6 Ti2 -","","","","","","Park, J. H.; Woodward, P. M.; Parise, J. B.; Reeder, R. J.; Lubomirsky, I.; Stafsudd, O.","Synthesis, structure, and dielectric properties of (Bi1/2Ag1/2)TiO3","Chemistry of Materials","1999","11","","177","183","10.1021/cm9806533","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000465","9.2769","","14.798","","14.611","","90","","90","","90","","2005.79","","","","","","","","","","","","","7","P b c m","","","","","","- C4 H16 Al3 Mg N3 O17 P4 -","","","","","","Kongshaug, K. O.; Fjellvag, H.; Lillerud, K. P.","Synthesis and characterization of the open-framework magnesium aluminophosphate UiO-28","Journal of Materials Chemistry","2001","11","","1242","1247","10.1039/b008728i","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000466","9.2186","","14.8652","","14.5811","","90","","90","","90","","1998.14","","","","","","","","","","","","","7","P b c m","","","","","","- C4 H14 Al3 Mg N3 O16 P4 -","","","","","","Kongshaug, K. O.; Fjellvag, H.; Lillerud, K. P.","Synthesis and characterization of the open-framework magnesium aluminophosphate UiO-28","Journal of Materials Chemistry","2001","11","","1242","1247","10.1039/b008728i","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000735","17.4705","","6.7541","","8.0252","","90","","102.019","","90","","926.2","","","","","","","","","","","","","4","C 1 2/c 1","","","","","","- K O12 P3 U2 -","","","","","","Hawkins, H. T.; Spearing, D. R.; Veirs, D. K.; Danis, J. A.; Smith, D. M.; Tait, C. D.; Runde, W. H.; Spilde, M. N.; Scheetz, B. E.","Synthesis and characterization of uranium(IV)-bearing members of the [NZP] structural family","Chemistry of Materials","1999","11","","2851","2857","10.1021/cm990209f","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000751","11.9021","","11.9021","","8.3962","","90","","90","","90","","1189.41","","","","","","","","","","","","","4","I 4/m c m","","","","","","- Ba3 Cu3 O12 Sc4 -","","","","","","Gregory, D. H.; Mawdsley, P. R.; Barker, S. J.; Daniell, W.; Weston, D. P.","Synthesis, stoichiometry and structure of the quaternary scandium cuprate Ba3Cu3Sc4O12 and of 334-phase solid solution members Ba3Cu3Sc4-xInxO12 (0 <= x <= 4)","Journal of Materials Chemistry","2001","11","","806","814","10.1039/b008787o","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7152758","16.6672","0.0007","33.1447","0.0012","8.1871","0.0003","90","","90","","90","","4522.8","0.3","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C43 H48 Cl2 N2 O16 -","- C43 H48 Cl2 N2 O16 -","- C172 H192 Cl8 N8 O64 -","4","1","","Kleeblatt, Dennis; Siyo, Baraa; Hein, Martin; Iaroshenko, Viktor O.; Iqbal, Jamshed; Villinger, Alexander; Langer, Peter","Synthesis of N,N'-diglycosylated isoindigos.","Organic & biomolecular chemistry","2013","11","6","886","895","10.1039/c2ob25866h","","","0.71073","MoKα","","0.0821","0.0516","","","0.1196","0.1307","","","","","","1.067","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152759","10.399","0.003","11.235","0.003","13.089","0.003","107.753","0.019","101.4","0.02","110.87","0.02","1277.7","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H22 O7 S -","- C31 H22 O7 S -","- C62 H44 O14 S2 -","2","1","","Ahadi, Somayeh; Zolghadr, Mahdi; Khavasi, Hamid Reza; Bazgir, Ayoob","A diastereoselective synthesis of pyrano fused coumarins via organocatalytic three-component reaction.","Organic & biomolecular chemistry","2013","11","2","279","286","10.1039/c2ob26203g","","","0.71073","MoKα","","0.2709","0.1168","","","0.2262","0.2969","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152760","21.7506","0.0012","10.3408","0.0006","14.2419","0.0008","90","","124.719","0.001","90","","2632.9","0.3","120","","120","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","4-cyclopropyl-3-phenyl-1H-isochromen-1-one","4-cyclopropyl-3-phenyl-1H-isochromen-1-one","","- C18 H14 O2 -","- C18 H14 O2 -","- C144 H112 O16 -","8","1","","Deponti, Monica; Kozhushkov, Sergei I.; Yufit, Dmitry S.; Ackermann, Lutz","Ruthenium-catalyzed C-H/O-H and C-H/N-H bond functionalizations: oxidative annulations of cyclopropyl-substituted alkynes.","Organic & biomolecular chemistry","2013","11","1","142","148","10.1039/c2ob26250a","","x-ray","0.71073","MoKα","K-L~3~","0.0487","0.0389","","","0.1094","0.117","","","","","","1.036","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152761","13.3582","0.0007","14.6219","0.0008","7.6852","0.0004","90","","90.502","0.002","90","","1501.03","0.14","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-cyclopropyl-3-(3-trifluoromethylphenyl-1H-isochromen-1-one","4-cyclopropyl-3-(3-trifluoromethylphenyl-1H-isochromen-1-one","","- C19 H13 F3 O2 -","- C19 H13 F3 O2 -","- C76 H52 F12 O8 -","4","1","","Deponti, Monica; Kozhushkov, Sergei I.; Yufit, Dmitry S.; Ackermann, Lutz","Ruthenium-catalyzed C-H/O-H and C-H/N-H bond functionalizations: oxidative annulations of cyclopropyl-substituted alkynes.","Organic & biomolecular chemistry","2013","11","1","142","148","10.1039/c2ob26250a","","x-ray","0.71073","MoKα","K-L~3~","0.0881","0.0754","","","0.1969","0.2099","","","","","","1.086","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152762","8.5382","0.0007","9.1292","0.0008","35.608","0.003","87.43","0.002","86.668","0.002","75.652","0.002","2683.1","0.4","120","","120","","","","","","","","","3","P -1","-P 1","2","3-cyclopropyl-4-phenyl-1H-isochromen-1-one","3-cyclopropyl-4-phenyl-1H-isochromen-1-one","","- C18 H14 O2 -","- C18 H14 O2 -","- C144 H112 O16 -","8","4","","Deponti, Monica; Kozhushkov, Sergei I.; Yufit, Dmitry S.; Ackermann, Lutz","Ruthenium-catalyzed C-H/O-H and C-H/N-H bond functionalizations: oxidative annulations of cyclopropyl-substituted alkynes.","Organic & biomolecular chemistry","2013","11","1","142","148","10.1039/c2ob26250a","","x-ray","0.71073","MoKα","K-L~3~","0.1498","0.0591","","","0.0987","0.1136","","","","","","0.931","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152763","8.6979","0.0003","16.6842","0.0005","10.4505","0.0003","90","","113.293","0.001","90","","1392.94","0.08","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-cyclopropyl-2-methyl-3-phenylisoquinolin-1(2H)-one","4-cyclopropyl-2-methyl-3-phenylisoquinolin-1(2H)-one","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Deponti, Monica; Kozhushkov, Sergei I.; Yufit, Dmitry S.; Ackermann, Lutz","Ruthenium-catalyzed C-H/O-H and C-H/N-H bond functionalizations: oxidative annulations of cyclopropyl-substituted alkynes.","Organic & biomolecular chemistry","2013","11","1","142","148","10.1039/c2ob26250a","","","0.71073","MoKα","","0.0558","0.046","","","0.1237","0.1353","","","","","","1.063","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152764","7.9056","0.0004","8.8734","0.0005","9.7298","0.0005","96.304","0.002","100.043","0.002","108.11","0.002","628.9","0.06","120","","120","","","","","","","","","4","P -1","-P 1","2","4-cyclopropyl-2-methyl-3-(n-propyl)-isoquinolin-1(2H)-one","4-cyclopropyl-2-methyl-3-(n-propyl)-isoquinolin-1(2H)-one","","- C16 H19 N O -","- C16 H19 N O -","- C32 H38 N2 O2 -","2","1","","Deponti, Monica; Kozhushkov, Sergei I.; Yufit, Dmitry S.; Ackermann, Lutz","Ruthenium-catalyzed C-H/O-H and C-H/N-H bond functionalizations: oxidative annulations of cyclopropyl-substituted alkynes.","Organic & biomolecular chemistry","2013","11","1","142","148","10.1039/c2ob26250a","","","0.71073","MoKα","","0.0885","0.0582","","","0.1463","0.1688","","","","","","0.98","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152765","12.849","0.0005","13.1603","0.0005","17.5483","0.0006","73.847","0.001","68.57","0.001","65.921","0.001","2492.57","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H76 Cl2 O7 P2 Pd -","- C46 H76 Cl2 O7 P2 Pd -","- C92 H152 Cl4 O14 P4 Pd2 -","2","1","","Li, Pengbin; Lü, Bo; Fu, Chunling; Ma, Shengming","Pd-catalyzed Suzuki coupling reaction of chloroalkylidene-β-lactones with LB-Phos as the ligand.","Organic & biomolecular chemistry","2013","11","1","98","109","10.1039/c2ob26365c","","","0.71073","MoKα","","0.0323","0.029","","","0.0839","0.0881","","","","","","1.058","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152766","9.3629","0.0006","16.608","0.0008","9.8929","0.0005","90","","115.25","0.007","90","","1391.36","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C64 H56 O8 S4 -","4","2","","Li, Pengbin; Lü, Bo; Fu, Chunling; Ma, Shengming","Pd-catalyzed Suzuki coupling reaction of chloroalkylidene-β-lactones with LB-Phos as the ligand.","Organic & biomolecular chemistry","2013","11","1","98","109","10.1039/c2ob26365c","","","1.54184","CuKα","","0.088","0.0685","","","0.1807","0.2043","","","","","","1.045","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152767","4.9166","0.0006","13.1195","0.0013","42.105","0.004","90","","90","","90","","2715.9","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 N6 O6 -","- C26 H36 N6 O6 -","- C104 H144 N24 O24 -","4","1","","Pehere, Ashok D.; Sumby, Christopher J.; Abell, Andrew D.","New cylindrical peptide assemblies defined by extended parallel β-sheets.","Organic & biomolecular chemistry","2013","11","3","425","429","10.1039/c2ob26637g","","","0.71073","MoKα","","0.1602","0.1039","","","0.2379","0.2792","","","","","","1.034","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152768","10.4429","0.0003","7.4627","0.0002","14.1231","0.0004","90","","93.253","0.002","90","","1098.87","0.05","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H30 N2 -","- C26 H30 N2 -","- C52 H60 N4 -","2","1","","Ribelles, Pascual; Sridharan, Vellaisamy; Villacampa, Mercedes; Ramos, Ma Teresa; Menéndez, J Carlos","Diastereoselective, multicomponent access to trans-2-aryl-4-arylamino-1,2,3,4-tetrahydroquinolines via an AA'BC sequential four-component reaction and their application to 2-arylquinoline synthesis.","Organic & biomolecular chemistry","2013","11","4","569","579","10.1039/c2ob26754c","","","1.54178","CuKα","","0.0338","0.0321","","","0.0837","0.0855","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152769","15.4056","0.0004","6.8529","0.0002","15.8005","0.0004","90","","116.019","0.001","90","","1499.04","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H11 F N2 O5 -","- C9 H11 F N2 O5 -","- C54 H66 F6 N12 O30 -","6","3","","Erande, Namrata; Gunjal, Anita D.; Fernandes, Moneesha; Gonnade, Rajesh; Kumar, Vaijayanti A.","Synthesis and structural studies of S-type/N-type-locked/frozen nucleoside analogues and their incorporation in RNA-selective, nuclease resistant 2'-5' linked oligonucleotides.","Organic & biomolecular chemistry","2013","11","5","746","757","10.1039/c2ob26762d","","","0.71073","MoKα","","0.0376","0.0342","","","0.0861","0.0882","","","","","","1.067","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152770","6.3007","0.0003","7.3372","0.0003","10.8989","0.0004","90","","92.277","0.002","90","","503.45","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H11 F N2 O5 -","- C9 H11 F N2 O5 -","- C18 H22 F2 N4 O10 -","2","1","","Erande, Namrata; Gunjal, Anita D.; Fernandes, Moneesha; Gonnade, Rajesh; Kumar, Vaijayanti A.","Synthesis and structural studies of S-type/N-type-locked/frozen nucleoside analogues and their incorporation in RNA-selective, nuclease resistant 2'-5' linked oligonucleotides.","Organic & biomolecular chemistry","2013","11","5","746","757","10.1039/c2ob26762d","","","0.71073","MoKα","","0.0242","0.0239","","","0.0643","0.0645","","","","","","1.054","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152771","10.264","0.0002","10.754","0.0002","13.366","0.0003","67.311","0.001","70.995","0.001","82.495","0.001","1286.94","0.05","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H24 O2 -","- C14 H24 O2 -","- C56 H96 O8 -","4","2","","Lyall, Catherine L.; Uosis-Martin, Mario; Lowe, John P.; Mahon, Mary F.; Pantoş, G Dan; Lewis, Simon E.","Aliphatic C-H activation with aluminium trichloride-acetyl chloride: expanding the scope of the Baddeley reaction for the functionalisation of saturated hydrocarbons.","Organic & biomolecular chemistry","2013","11","9","1468","1475","10.1039/c2ob26765a","","","0.71073","MoKα","","0.0786","0.0488","","","0.1042","0.1193","","","","","","1.027","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152772","10.508","0.0006","11.686","0.0006","16.647","0.001","81.989","0.002","90.159","0.003","78.388","0.003","1981.81","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 N4 O4 -","- C20 H26 N4 O4 -","- C80 H104 N16 O16 -","4","2","","Lyall, Catherine L.; Uosis-Martin, Mario; Lowe, John P.; Mahon, Mary F.; Pantoş, G Dan; Lewis, Simon E.","Aliphatic C-H activation with aluminium trichloride-acetyl chloride: expanding the scope of the Baddeley reaction for the functionalisation of saturated hydrocarbons.","Organic & biomolecular chemistry","2013","11","9","1468","1475","10.1039/c2ob26765a","","","0.71073","MoKα","","0.2588","0.1792","","","0.3768","0.4211","","","","","","1.118","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152773","13.196","0.005","13.001","0.004","13.423","0.005","90","","119.437","0.004","90","","2005.6","1.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 Cl O4 -","- C26 H19 Cl O4 -","- C104 H76 Cl4 O16 -","4","1","","Jian, Teng-Yue; Chen, Xiang-Yu; Sun, Li-Hui; Ye, Song","N-heterocyclic carbene-catalyzed [4 + 2] cycloaddition of ketenes and 3-aroylcoumarins: highly enantioselective synthesis of dihydrocoumarin-fused dihydropyranones.","Organic & biomolecular chemistry","2013","11","1","158","163","10.1039/c2ob26804c","","","0.71073","MoKα","","0.1441","0.0935","","","0.1489","0.1657","","","","","","1.171","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152774","7.757","0.005","6.483","0.004","9.907","0.007","90","","92.808","0.012","90","","497.6","0.6","100","2","100","2","","","101.325","","","","synthesis","4","P 1 21 1","P 2yb","4","gamma Phe","gamma_Phe","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C22 H30 N2 O4 -","2","1","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Protein secondary structure mimetics: crystal conformations of α/γ4-hybrid peptide12-helices with proteinogenic side chains and their analogy with α- and β-peptide helices.","Organic & biomolecular chemistry","2013","11","3","509","514","10.1039/c2ob26805a","","","0.71073","MoKα","","0.1153","0.0704","","","0.1626","0.189","","","","","","0.947","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152775","12.866","0.015","17.403","0.019","13.962","0.016","90","","107.22","0.03","90","","2986","6","100","2","100","2","","","101.325","","","","synthesis","4","P 1 21 1","P 2yb","4","alpha-gamma peptide","alpha-gamma peptide","","- C51 H72 N8 O8 -","- C51 H72 N8 O8 -","- C102 H144 N16 O16 -","2","1","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Protein secondary structure mimetics: crystal conformations of α/γ4-hybrid peptide12-helices with proteinogenic side chains and their analogy with α- and β-peptide helices.","Organic & biomolecular chemistry","2013","11","3","509","514","10.1039/c2ob26805a","","","0.71073","MoKα","","0.2345","0.0813","","","0.1855","0.2369","","","","","","0.733","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152776","9.354","0.01","12.179","0.013","13.95","0.015","68.89","0.03","85.74","0.03","71.36","0.03","1403","3","100","2","100","2","","","101.325","","","","synthesis","4","P 1","P 1","1","alpha-gamma peptide","alpha-gamma peptide","","- C48 H66 N8 O9 -","- C48 H66 N8 O9 -","- C48 H66 N8 O9 -","1","1","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Protein secondary structure mimetics: crystal conformations of α/γ4-hybrid peptide12-helices with proteinogenic side chains and their analogy with α- and β-peptide helices.","Organic & biomolecular chemistry","2013","11","3","509","514","10.1039/c2ob26805a","","","0.71073","MoKα","","0.1364","0.0823","","","0.2342","0.2723","","","","","","0.771","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152777","11.218","0.017","14.58","0.02","15.75","0.02","90","","100.06","0.03","90","","2536","6","100","2","100","2","","","101.325","","","","synthesis","4","P 1 21 1","P 2yb","4","alpha-gamma peptide","alpha-gamma peptide","","- C47 H64 N8 O10 -","- C47 H64 N8 O10 -","- C94 H128 N16 O20 -","2","1","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Protein secondary structure mimetics: crystal conformations of α/γ4-hybrid peptide12-helices with proteinogenic side chains and their analogy with α- and β-peptide helices.","Organic & biomolecular chemistry","2013","11","3","509","514","10.1039/c2ob26805a","","","0.71073","MoKα","","0.2023","0.0824","","","0.1713","0.2352","","","","","","0.909","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152778","15.6275","0.0012","14.9143","0.0011","20.234","0.0015","90","","90","","90","","4716","0.6","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8.5 H11.5 Cl1.5 N5 O -","- C8.5 H11.5 Cl1.5 N5 O -","- C136 H184 Cl24 N80 O16 -","16","2","","Inui, Yuji; Shiro, Motoo; Fukuzumi, Shunichi; Kojima, Takahiko","Quartet formation of a guanine derivative with an isopropyl group: crystal structures of ""naked"" G-quartets and thermodynamics of G-quartet formation.","Organic & biomolecular chemistry","2013","11","5","758","764","10.1039/c2ob26877a","","","0.71073","MoKα","","0.038","0.0353","","","0.0941","0.0967","","","","","","1.03","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152779","8.9487","0.0006","16.7979","0.0011","13.042","0.0008","90","","97.593","0.001","90","","1943.3","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 N5 O1.5 -","- C8 H11 N5 O1.5 -","- C64 H88 N40 O12 -","8","2","","Inui, Yuji; Shiro, Motoo; Fukuzumi, Shunichi; Kojima, Takahiko","Quartet formation of a guanine derivative with an isopropyl group: crystal structures of ""naked"" G-quartets and thermodynamics of G-quartet formation.","Organic & biomolecular chemistry","2013","11","5","758","764","10.1039/c2ob26877a","","","0.71073","MoKα","","0.0446","0.0423","","","0.1119","0.1138","","","","","","1.061","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152780","8.9942","0.0005","17.9689","0.0011","12.8636","0.0008","90","","99.884","0.001","90","","2048.1","0.2","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Ca0.5 Cl N10 O2 -","- C16 H22 Ca0.5 Cl N10 O2 -","- C64 H88 Ca2 Cl4 N40 O8 -","4","1","","Inui, Yuji; Shiro, Motoo; Fukuzumi, Shunichi; Kojima, Takahiko","Quartet formation of a guanine derivative with an isopropyl group: crystal structures of ""naked"" G-quartets and thermodynamics of G-quartet formation.","Organic & biomolecular chemistry","2013","11","5","758","764","10.1039/c2ob26877a","","","0.71073","MoKα","","0.035","0.0304","","","0.0753","0.078","","","","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152781","35.482","0.004","10.0503","0.0011","35.888","0.004","90","","108.396","0.001","90","","12144","2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H69 B N20 Na O5 -","- C60 H69 B N20 Na O5 -","- C480 H552 B8 N160 Na8 O40 -","8","1","","Inui, Yuji; Shiro, Motoo; Fukuzumi, Shunichi; Kojima, Takahiko","Quartet formation of a guanine derivative with an isopropyl group: crystal structures of ""naked"" G-quartets and thermodynamics of G-quartet formation.","Organic & biomolecular chemistry","2013","11","5","758","764","10.1039/c2ob26877a","","","0.71073","MoKα","","0.1615","0.1217","","","0.3335","0.3742","","","","","","1.069","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152782","6.6023","0.0012","6.6337","0.0012","37.831","0.006","94.504","0.015","90.801","0.014","113.293","0.017","1515.3","0.5","293","2","293.15","","","","","","","","","3","P 1","P 1","1","","","","- C32 H52 O8 -","- C32 H52 O8 -","- C64 H104 O16 -","2","2","","Guo, Xiurong; Xin, Guang; He, Shiliang; Wang, Yanyan; Huang, Baozhan; Zhao, Hang; Xing, Zhihua; Chen, Qingming; Huang, Wen; He, Yang","Novel organic gelators based on pentose derivatized diosgenyl saponins.","Organic & biomolecular chemistry","2013","11","5","821","827","10.1039/c2ob26898a","","","0.7107","MoKα","","0.0686","0.046","","","0.093","0.1051","","","","","","1.066","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152783","9.2201","0.0004","5.4993","0.0003","14.8584","0.0009","90","","93.833","0.003","90","","751.7","0.07","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H10 Br N O4 -","- C17 H10 Br N O4 -","- C34 H20 Br2 N2 O8 -","2","1","","Das, Utpal; Tsai, Yi-Ling; Lin, Wenwei","An efficient organocatalytic enantioselective synthesis of spironitrocyclopropanes.","Organic & biomolecular chemistry","2013","11","1","44","47","10.1039/c2ob26943k","","","0.71073","MoKα","","0.0451","0.0299","","","0.0564","0.0825","","","","","","0.964","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152784","8.8074","0.0011","9.7518","0.0015","9.7363","0.0014","90","","93.785","0.005","90","","834.4","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H12 Br N O4 -","- C18 H12 Br N O4 -","- C36 H24 Br2 N2 O8 -","2","1","","Das, Utpal; Tsai, Yi-Ling; Lin, Wenwei","An efficient organocatalytic enantioselective synthesis of spironitrocyclopropanes.","Organic & biomolecular chemistry","2013","11","1","44","47","10.1039/c2ob26943k","","","0.71073","MoKα","","0.0523","0.035","","","0.067","0.0731","","","","","","1.003","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152785","9.5643","0.0002","9.7254","0.0002","17.4889","0.0004","89.925","0.001","80.209","0.001","62.908","0.001","1421.79","0.05","100","","100","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C37 H27 Br N2 -","- C37 H27 Br N2 -","- C74 H54 Br2 N4 -","2","1","","Elie, Claude-Rosny; Hébert, Audrey; Charbonneau, Mathieu; Haiun, Adam; Schmitzer, Andreea R.","Benzimidazolium-based synthetic chloride and calcium transporters in bacterial membranes.","Organic & biomolecular chemistry","2013","11","6","923","928","10.1039/c2ob26966j","","","1.54178","CuKα","","0.0568","0.0525","","","0.1437","0.1526","","","","","","1.058","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152786","17.266","0.014","8.92","0.007","16.576","0.013","90","","97.576","0.01","90","","2531","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Cl2 I N3 O3 P -","- C22 H25 Cl2 I N3 O3 P -","- C88 H100 Cl8 I4 N12 O12 P4 -","4","1","","Qiu, Guanyinsheng; Lu, Yuan; Wu, Jie","A concise synthesis of 4-imino-3,4-dihydroquinazolin-2-ylphosphonates via a palladium-catalyzed reaction of carbodiimide, isocyanide, and phosphite.","Organic & biomolecular chemistry","2013","11","5","798","802","10.1039/c2ob26979a","","","0.71073","MoKα","","0.0736","0.0529","","","0.1384","0.1493","","","","","","0.951","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152787","23.116","0.004","12.7605","0.0019","21.907","0.003","90","","114.554","0.002","90","","5877.6","1.6","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H36 Br O3 P -","- C29 H36 Br O3 P -","- C232 H288 Br8 O24 P8 -","8","1","","Wu, Zong-Ze; Jang, Yeong-Jiunn; Lee, Chia-Jui; Lee, Yen-Te; Lin, Wenwei","A versatile and practical method for regioselective synthesis of polysubstituted furanonaphthoquinones.","Organic & biomolecular chemistry","2013","11","5","828","834","10.1039/c2ob26986d","","","0.71073","MoKα","","0.1238","0.0587","","","0.1414","0.1547","","","","","","0.886","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152788","7.8383","0.0003","10.9083","0.0004","12.0674","0.0006","112.907","0.002","101.682","0.002","94.195","0.003","917.43","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H13 Br O3 -","- C24 H13 Br O3 -","- C48 H26 Br2 O6 -","2","1","","Wu, Zong-Ze; Jang, Yeong-Jiunn; Lee, Chia-Jui; Lee, Yen-Te; Lin, Wenwei","A versatile and practical method for regioselective synthesis of polysubstituted furanonaphthoquinones.","Organic & biomolecular chemistry","2013","11","5","828","834","10.1039/c2ob26986d","","","0.71073","MoKα","","0.0917","0.0589","","","0.1655","0.1981","","","","","","1.111","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152789","9.4027","0.0015","13.097","0.002","24.592","0.004","90","","90","","90","","3028.4","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H45 O5 P S -","- C29 H49 O5 P S -","- C116 H196 O20 P4 S4 -","4","1","","Wu, Zong-Ze; Jang, Yeong-Jiunn; Lee, Chia-Jui; Lee, Yen-Te; Lin, Wenwei","A versatile and practical method for regioselective synthesis of polysubstituted furanonaphthoquinones.","Organic & biomolecular chemistry","2013","11","5","828","834","10.1039/c2ob26986d","","","0.71073","MoKα","","0.0928","0.0627","","","0.1554","0.1769","","","","","","1.023","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152790","17.877","0.006","9.516","0.003","10.966","0.003","90","","91.469","0.005","90","","1864.9","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl N5 O2 -","- C20 H16 Cl N5 O2 -","- C80 H64 Cl4 N20 O8 -","4","1","","Niu, Teng-Fei; Lv, Mei-Fang; Wang, Liang; Yi, Wen-Bin; Cai, Chun","Chemoselective preparation of 1,2,3-triazole-isoxazole bisfunctional derivatives and their application in peptidomimetic synthesis.","Organic & biomolecular chemistry","2013","11","6","1040","1048","10.1039/c2ob26990b","","","0.71073","MoKα","","0.0774","0.0582","","","0.1813","0.2089","","","","","","1.025","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152791","6.046","0.002","12.665","0.004","12.845","0.004","76.57","0.008","81.084","0.007","83.652","0.007","942.3","0.5","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H42 N2 O10 S2 -","- C38 H42 N2 O10 S2 -","- C38 H42 N2 O10 S2 -","1","1","","Ganesan, Muthupandian; Salunke, Rahul Vilas; Singh, Nem; Ramesh, Namakkal G.","Protecting group directed diversity during Mitsunobu cyclization of a carbohydrate derived diamino triol. Synthesis of novel bridged bicyclic and six-membered iminocyclitols.","Organic & biomolecular chemistry","2013","11","4","599","611","10.1039/c2ob27000e","","","0.71073","MoKα","","0.1519","0.0973","","","0.198","0.2299","","","","","","1.114","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152792","10.043","0.003","8.99","0.002","25.768","0.006","90","","96.651","0.005","90","","2310.8","1","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O6 S2 -","- C20 H24 N2 O6 S2 -","- C80 H96 N8 O24 S8 -","4","2","","Ganesan, Muthupandian; Salunke, Rahul Vilas; Singh, Nem; Ramesh, Namakkal G.","Protecting group directed diversity during Mitsunobu cyclization of a carbohydrate derived diamino triol. Synthesis of novel bridged bicyclic and six-membered iminocyclitols.","Organic & biomolecular chemistry","2013","11","4","599","611","10.1039/c2ob27000e","","","0.71073","MoKα","","0.1121","0.0846","","","0.2269","0.2399","","","","","","0.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152793","8.5901","0.0008","13.7587","0.0013","9.4392","0.0009","90","","112.242","0.002","90","","1032.6","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Cl3 N O3 -","- C22 H20 Cl3 N O3 -","- C44 H40 Cl6 N2 O6 -","2","1","","Zhang, Xuefeng; Jiang, Xiaolong; Ding, Chunyong; Yao, Qizheng; Zhang, Ao","Unexpected N-glycosidation reaction of glycals with 1-amino-anthracene: structure revision and application to the synthesis of new analogues of marmycin A.","Organic & biomolecular chemistry","2013","11","8","1383","1389","10.1039/c2ob27020j","","","0.71073","MoKα","","0.0322","0.0315","","","0.0814","0.082","","","","","","1.052","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152794","30.156","0.007","8.795","0.002","11.162","0.003","90","","100.061","0.004","90","","2914.9","1.2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","2","","Yang, Yan; Gao, Meng; Shu, Wen-Ming; Wu, Liu-Ming; Zhang, Dong-Xue; Wu, An-Xin","Synthesis of α-iodoketals from methyl ketones via sustainable and orthogonal tandem catalysis.","Organic & biomolecular chemistry","2013","11","7","1226","1233","10.1039/c2ob27028e","","","0.71073","MoKα","","0.0658","0.0492","","","0.1479","0.1572","","","","","","1.046","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152795","9.0702","0.0012","15.872","0.002","19.619","0.003","90","","90","","90","","2824.4","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F O2 -","- C17 H13 F O2 -","- C136 H104 F8 O16 -","8","1","","Yang, Yan; Gao, Meng; Shu, Wen-Ming; Wu, Liu-Ming; Zhang, Dong-Xue; Wu, An-Xin","Synthesis of α-iodoketals from methyl ketones via sustainable and orthogonal tandem catalysis.","Organic & biomolecular chemistry","2013","11","7","1226","1233","10.1039/c2ob27028e","","","0.71073","MoKα","","0.0669","0.0472","","","0.1367","0.1478","","","","","","1.091","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152796","11.8628","0.0012","5.9193","0.0006","12.0256","0.0012","90","","96.191","0.001","90","","839.51","0.15","220","2","220","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 I O3 -","- C19 H17 I O3 -","- C38 H34 I2 O6 -","2","1","","Yang, Yan; Gao, Meng; Shu, Wen-Ming; Wu, Liu-Ming; Zhang, Dong-Xue; Wu, An-Xin","Synthesis of α-iodoketals from methyl ketones via sustainable and orthogonal tandem catalysis.","Organic & biomolecular chemistry","2013","11","7","1226","1233","10.1039/c2ob27028e","","","0.71073","MoKα","","0.0245","0.0223","","","0.069","0.0836","","","","","","1.215","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152797","18.958","0.004","21.804","0.005","20.21","0.005","90","","91.004","0.004","90","","8353","3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C76 H94 N2 O29 -","- C76 H94 N2 O29 -","- C304 H376 N8 O116 -","4","1","","Chen, Lei; Li, Zhiming; Chen, Zhenxia; Hou, Jun-Li","Pillar[5]arenes with an introverted amino group: a hydrogen bonding tuning effect.","Organic & biomolecular chemistry","2013","11","2","248","251","10.1039/c2ob27044g","","","0.71073","MoKα","","0.2456","0.1409","","","0.369","0.4131","","","","","","1.076","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152798","8.0135","0.0007","15.0651","0.0013","22.7939","0.0019","90","","90.291","0.001","90","","2751.7","0.4","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 F3 N4 O2 -","- C14 H13 F3 N4 O2 -","- C112 H104 F24 N32 O16 -","8","2","","Kato, Jun-Ya; Aoyama, Hiroshi; Yokomatsu, Tsutomu","Development of a new cascade reaction for convergent synthesis of pyrazolo[1,5-a]quinoline derivatives under transition-metal-free conditions.","Organic & biomolecular chemistry","2013","11","7","1171","1178","10.1039/c2ob27050a","","","0.71073","MoKα","","0.0501","0.04","","","0.0967","0.1018","","","","","","1.034","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152799","15.501","0.003","15.08","0.003","11.907","0.003","90","","102.794","0.003","90","","2714.2","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Cl N2 O2 -","- C14 H13 Cl N2 O2 -","- C112 H104 Cl8 N16 O16 -","8","2","","Xin, Xiaoqing; Huang, Peng; Xiang, Dexuan; Zhang, Rui; Zhao, Fengyu; Zhang, Ning; Dong, Dewen","[5C + 1N] Annulation of 2,4-pentadienenitriles with hydroxylamine: a synthetic route to multi-substituted 2-aminopyridines.","Organic & biomolecular chemistry","2013","11","6","1001","1006","10.1039/c2ob27053f","","","0.71073","MoKα","","0.0858","0.0537","","","0.1249","0.1452","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152800","12.3417","0.0011","12.3417","0.0011","28.361","0.005","90","","90","","120","","3741.1","0.8","293","2","293","2","","","","","","","","5","P 65","P 65","170","","","","- C24 H31 N3 O4 S -","- C24 H31 N3 O4 S -","- C144 H186 N18 O24 S6 -","6","1","","Grygorenko, Oleksandr O.; Zhersh, Sergey; Oliinyk, Bohdan V.; Shishkin, Oleg V.; Tolmachev, Andrey A.","Conformational behaviour of peptides containing a 2-pyrrolidinemethanesulfonic acid (2PyMS) residue.","Organic & biomolecular chemistry","2013","11","6","975","983","10.1039/c2ob27058g","","","0.71073","MoKα","","0.1571","0.0533","","","0.0689","0.0857","","","","","","0.885","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152801","8.9964","0.0004","11.1739","0.0004","14.3314","0.0006","98.212","0.003","97.8","0.004","91.098","0.004","1411.61","0.1","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H36 N4 O5 S -","- C27 H36 N4 O5 S -","- C54 H72 N8 O10 S2 -","2","2","","Grygorenko, Oleksandr O.; Zhersh, Sergey; Oliinyk, Bohdan V.; Shishkin, Oleg V.; Tolmachev, Andrey A.","Conformational behaviour of peptides containing a 2-pyrrolidinemethanesulfonic acid (2PyMS) residue.","Organic & biomolecular chemistry","2013","11","6","975","983","10.1039/c2ob27058g","","","0.71073","MoKα","","0.1071","0.0533","","","0.1174","0.1384","","","","","","0.932","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152802","15.4735","0.0009","5.6","0.0003","16.5182","0.001","90","","117.181","0.003","90","","1273.26","0.13","296","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(E)-1,2-diphenyl-1,2-bis(3-(trifluoromethyl)p","(E)-1,2-diphenyl-1,2-bis(3-(trifluoromethyl)phenylselanyl)ethene","","- C28 H18 F6 Se2 -","- C28 H18 F6 Se2 -","- C56 H36 F12 Se4 -","2","0.5","","Sartori, Glaubia; Neto, José S S; Pesarico, Ana Paula; Back, Davi F.; Nogueira, Cristina W.; Zeni, Gilson","Bis-vinyl selenides obtained via iron(iii) catalyzed addition of PhSeSePh to alkynes: synthesis and antinociceptive activity.","Organic & biomolecular chemistry","2013","11","7","1199","1208","10.1039/c2ob27064a","","","0.71073","MoKα","","0.106","0.0456","","","0.0884","0.1086","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152803","10.34","0.003","9.733","0.003","18.073","0.005","90","","106.331","0.005","90","","1745.5","0.9","296","2","296","2","","","101.325","","","","Synthesis","4","P 1 21 1","P 2yb","4","(S,E)-ethyl 4-(tert-butoxycarbonylamino)-6-methylhept-2-enoate","(S,E)-ethyl 4-(tert-butoxycarbonylamino)-6-methylhept-2-enoate","","- C15 H27 N O4 -","- C15 H27 N O4 -","- C60 H108 N4 O16 -","4","2","","Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Gopi, Hosahudya N.","Synthesis and stereochemical analysis of β-nitromethane substituted γ-amino acids and peptides.","Organic & biomolecular chemistry","2013","11","5","803","813","10.1039/c2ob27070f","","x-ray","0.71073","MoKα","","0.0431","0.0341","","","0.0804","0.0896","","","","","","0.985","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152804","10.153","0.003","10.273","0.003","16.191","0.005","90","","90","","90","","1688.7","0.9","200","2","200","2","","","101.325","","","","Synthesis","4","P 21 21 21","P 2ac 2ab","19","Boc-dgI-OEt","(4S,5S,E)-ethyl 4-(tert-butoxycarbonylamino)-5-methylhept-2-enoate","","- C15 H27 N O4 -","- C15 H27 N O4 -","- C60 H108 N4 O16 -","4","1","","Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Gopi, Hosahudya N.","Synthesis and stereochemical analysis of β-nitromethane substituted γ-amino acids and peptides.","Organic & biomolecular chemistry","2013","11","5","803","813","10.1039/c2ob27070f","","x-ray","0.71073","MoKα","","0.0455","0.0378","","","0.0912","0.0961","","","","","","1.023","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152805","11.306","0.006","31.857","0.016","5.353","0.003","90","","90","","90","","1928","1.8","100","2","100","2","","","101.325","","","","synthesis","4","P 21 21 2","P 2 2ab","18","","Boc-gL(b-CH2NO2)-COOEt","","- C16 H30 N2 O6 -","- C16 H30 N2 O6 -","- C64 H120 N8 O24 -","4","1","","Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Gopi, Hosahudya N.","Synthesis and stereochemical analysis of β-nitromethane substituted γ-amino acids and peptides.","Organic & biomolecular chemistry","2013","11","5","803","813","10.1039/c2ob27070f","","x-ray","0.71073","MoKα","","0.1599","0.0931","","","0.232","0.266","","","","","","1.168","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152806","11.226","0.008","7.133","0.005","12.018","0.009","90","","110.948","0.015","90","","898.7","1.1","100","2","100","2","","","101.325","","","","Synthesis","4","P 1 21 1","P 2yb","4","","Boc-gI(b-CH2NO2)-COOH","","- C14 H26 N2 O6 -","- C14 H26 N2 O6 -","- C28 H52 N4 O12 -","2","1","","Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Gopi, Hosahudya N.","Synthesis and stereochemical analysis of β-nitromethane substituted γ-amino acids and peptides.","Organic & biomolecular chemistry","2013","11","5","803","813","10.1039/c2ob27070f","","x-ray","0.71073","MoKα","","0.0614","0.0441","","","0.1012","0.1106","","","","","","1.037","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152807","13.503","0.009","13.503","0.009","14.005","0.01","90","","90","","120","","2211","3","100","2","100","2","","","101.325","","","","Synthesis","4","P 32","P 32","145","","Boc-gV(b-CH2NO2)-gL(b-CH2NO2)-COOEt","","- C24 H44 N4 O9 -","- C24 H44 N4 O9 -","- C72 H132 N12 O27 -","3","1","","Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Gopi, Hosahudya N.","Synthesis and stereochemical analysis of β-nitromethane substituted γ-amino acids and peptides.","Organic & biomolecular chemistry","2013","11","5","803","813","10.1039/c2ob27070f","","x-ray","0.71073","MoKα","","0.2453","0.0865","","","0.2072","0.2952","","","","","","0.873","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152808","6.7348","0.0018","28.345","0.007","9.559","0.003","90","","97.64","0.007","90","","1808.6","0.9","298","1","298","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C72 H80 N8 O24 -","4","1","","Mancebo-Aracil, Juan; Nájera, Carmen; Sansano, José M","Microwave-assisted multicomponent diastereoselective 1,3-dipolar cycloaddition of ethyl glyoxylate derived azomethine ylides.","Organic & biomolecular chemistry","2013","11","4","662","675","10.1039/c2ob27072b","","","0.71073","MoKα","","0.201","0.0807","","","0.1768","0.2188","","","","","","1.08","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152809","8.258","0.003","11.699","0.004","23.879","0.007","90","","90","","90","","2307","1.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Br Cl N2 O2 -","- C27 H22 Br Cl N2 O2 -","- C108 H88 Br4 Cl4 N8 O8 -","4","1","","Liang, Jinyan; Chen, Qiao; Liu, Luping; Jiang, Xianxing; Wang, Rui","An organocatalytic asymmetric double Michael cascade reaction of unsaturated ketones and unsaturated pyrazolones: highly efficient synthesis of spiropyrazolone derivatives.","Organic & biomolecular chemistry","2013","11","9","1441","1445","10.1039/c2ob27095a","","","0.71073","MoKα","","0.0904","0.0407","","","0.073","0.0868","","","","","","0.985","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152810","23.896","0.007","23.896","0.007","30.268","0.009","90","","90","","120","","14968","8","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C112 H102 Cl4 N6 O6 S6 -","- C112 H102 Cl4 N6 O6 S6 -","- C672 H612 Cl24 N36 O36 S36 -","6","0.333333","","Sharma, Sanyog; Hundal, Maninder Singh; Hundal, Geeta","Dual channel chromo/fluorogenic chemosensors for cyanide and fluoride ions‒an example of in situ acid catalysis of the Strecker reaction for cyanide ion chemodosimetry.","Organic & biomolecular chemistry","2013","11","4","654","661","10.1039/c2ob27096j","","","0.71069","MoKα","","0.126","0.0683","","","0.2042","0.2613","","","","","","0.996","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152811","15.939","0.003","5.4586","0.0009","16.28","0.003","90","","96.807","0.003","90","","1406.5","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N3 O3 S -","- C13 H17 N3 O3 S -","- C52 H68 N12 O12 S4 -","4","1","","García-Valverde, María; Marcaccini, Stefano; González-Ortega, Alfonso; Rodríguez, Francisco Javier; Rojo, Josefa; Torroba, Tomás","Complementary regioselectivity in the synthesis of iminohydantoins: remarkable effect of amide substitution on the cyclization.","Organic & biomolecular chemistry","2013","11","5","721","725","10.1039/c2ob27098f","","","0.71073","MoKα","","0.0663","0.0475","","","0.1129","0.128","","","","","","1.049","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152812","13.1137","0.0014","6.2475","0.0007","14.2342","0.0016","90","","113.906","0.002","90","","1066.1","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 N3 O3 S -","- C23 H27 N3 O3 S -","- C46 H54 N6 O6 S2 -","2","1","","García-Valverde, María; Marcaccini, Stefano; González-Ortega, Alfonso; Rodríguez, Francisco Javier; Rojo, Josefa; Torroba, Tomás","Complementary regioselectivity in the synthesis of iminohydantoins: remarkable effect of amide substitution on the cyclization.","Organic & biomolecular chemistry","2013","11","5","721","725","10.1039/c2ob27098f","","","0.71073","MoKα","","0.0774","0.0722","","","0.1506","0.1536","","","","","","1.008","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152813","8.6128","0.0011","9.9153","0.0012","12.1573","0.0016","104.434","0.002","100.523","0.003","108.276","0.002","915.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Br2 N2 O5 -","- C17 H16 Br2 N2 O5 -","- C34 H32 Br4 N4 O10 -","2","1","","Li, Wenjun; Huang, Jiayao; Wang, Jian","Organocatalytic conjugate addition promoted by multi-hydrogen-bond cooperation: access to chiral 2-amino-3-nitrile-chromenes.","Organic & biomolecular chemistry","2013","11","3","400","406","10.1039/c2ob27102h","","","0.71073","MoKα","","0.0345","0.0278","","","0.0711","0.0844","","","","","","1.113","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152814","6.248","0.002","14.246","0.005","32.517","0.01","90","","90","","90","","2894.3","1.6","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 O8 -","- C32 H40 O8 -","- C128 H160 O32 -","4","1","","Song, Qiu-Yan; Jiang, Kan; Zhao, Qian-Qian; Gao, Kun; Jin, Xiao-Jie; Yao, Xiao-Jun","Eleven new highly oxygenated triterpenoids from the leaves and stems of Schisandra chinensis.","Organic & biomolecular chemistry","2013","11","7","1251","1258","10.1039/c2ob27115j","","","0.71073","MoKα","","0.0851","0.048","","","0.0923","0.1054","","","","","","0.999","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152815","9.592","0.002","10.08","0.003","11.857","0.003","89.893","0.01","76.026","0.007","80.083","0.008","1094.9","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H19 Cl N2 O3 -","- C28 H19 Cl N2 O3 -","- C56 H38 Cl2 N4 O6 -","2","1","","Wen, Li-Rong; Sun, Qi-Chang; Zhang, Hai-Liang; Li, Ming","A new rapid multicomponent domino heteroannulation of heterocyclic ketene aminals: solvent-free regioselective synthesis of functionalized benzo[g]imidazo[1,2-a]quinolinediones.","Organic & biomolecular chemistry","2013","11","5","781","786","10.1039/c2ob27137k","","","0.71073","MoKα","","0.0652","0.0587","","","0.123","0.1266","","","","","","1.162","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152816","17.9253","0.0007","5.36599","0.00019","15.7715","0.0005","90","","98.798","0.003","90","","1499.16","0.09","123.01","0.1","123.01","0.1","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","1","","Amslinger, Sabine; Al-Rifai, Nafisah; Winter, Katrin; Wörmann, Kilian; Scholz, Rebekka; Baumeister, Paul; Wild, Martin","Reactivity assessment of chalcones by a kinetic thiol assay.","Organic & biomolecular chemistry","2013","11","4","549","554","10.1039/c2ob27163j","","x-ray","1.54184","CuKα","","0.0402","0.0355","","","0.0916","0.0961","","","","","","1.034","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152817","13.853","0.007","9.965","0.005","15.005","0.008","90","","90.891","0.01","90","","2071.1","1.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N2 O3 -","- C25 H22 N2 O3 -","- C100 H88 N8 O12 -","4","1","","Kand, Dnyaneshwar; Kalle, Arunasree Marasanapalli; Talukdar, Pinaki","Chromenoquinoline-based thiol probes: a study on the quencher position for controlling fluorescent Off-On characteristics.","Organic & biomolecular chemistry","2013","11","10","1691","1701","10.1039/c2ob27192c","","","0.71073","MoKα","","0.1228","0.0495","","","0.109","0.1427","","","","","","0.922","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152818","12.72","0.007","18.426","0.01","9.036","0.005","90","","122.238","0.009","90","","1791.4","1.7","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H14 N2 O3 -","- C24 H14 N2 O3 -","- C96 H56 N8 O12 -","4","1","","Kand, Dnyaneshwar; Kalle, Arunasree Marasanapalli; Talukdar, Pinaki","Chromenoquinoline-based thiol probes: a study on the quencher position for controlling fluorescent Off-On characteristics.","Organic & biomolecular chemistry","2013","11","10","1691","1701","10.1039/c2ob27192c","","","0.71073","MoKα","","0.0686","0.0453","","","0.1007","0.1144","","","","","","0.991","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152819","11.0598","0.0008","9.6504","0.0006","12.3144","0.001","90","","112.315","0.004","90","","1215.9","0.16","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N2 O4 -","- C11 H14 N2 O4 -","- C44 H56 N8 O16 -","4","1","","Astolfi, Paola; Charles, Laurence; Gigmes, Didier; Greci, Lucedio; Rizzoli, Corrado; Sorana, Federico; Stipa, Pierluigi","Reactions of nitric oxide and nitrogen dioxide with coenzyme Q: involvement of the isoprenic chain.","Organic & biomolecular chemistry","2013","11","8","1399","1406","10.1039/c2ob27198b","","","1.54178","CuKα","","0.0458","0.0381","","","0.111","0.1224","","","","","","1.081","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152820","19.4982","0.0004","13.338","0.0003","43.2785","0.0011","90","","95.832","0.002","90","","11197.1","0.4","100","","100","","","","","","","","synthesized","7","C 1 c 1","C -2yc","9","","","","- C121 H144.4 Cl2 F6 N9 O10.7 P -","- C121 H144.4 Cl2 F6 N9 O10.7 P -","- C484 H577.6 Cl8 F24 N36 O42.8 P4 -","4","1","","White, Nicholas G.; Beer, Paul D.","A rotaxane host system containing integrated triazole C-H hydrogen bond donors for anion recognition.","Organic & biomolecular chemistry","2013","11","8","1326","1333","10.1039/c2ob27229f","","","0.6889","synchrotron","","0.1293","0.1264","","0.2919","0.2908","0.2919","","","","","","1.0601","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152821","11.7586","0.0005","23.4082","0.0013","23.5471","0.0012","93.401","0.004","98.295","0.004","92.975","0.004","6390.2","0.6","100","","100","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C116 H129 Cl N10 O10 -","- C116 H129 Cl N10 O10 -","- C232 H258 Cl2 N20 O20 -","2","1","","White, Nicholas G.; Beer, Paul D.","A rotaxane host system containing integrated triazole C-H hydrogen bond donors for anion recognition.","Organic & biomolecular chemistry","2013","11","8","1326","1333","10.1039/c2ob27229f","","","1.1949","synchrotron","","0.1102","0.08","","0.264","0.1947","0.264","","","","","","1.0041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152822","9.098","0.003","15.524","0.006","17.674","0.006","90","","90","","90","","2496.2","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 Br N2 O3 -","- C28 H21 Br N2 O3 -","- C112 H84 Br4 N8 O12 -","4","1","","Qin, Tian-You; Liao, Wei-Wei; Zhang, Yan-Jing; Zhang, Sean Xiao-An","Asymmetric organocatalytic allylic alkylation of Reissert compounds: a facile access to chiral 1,1-disubstituted 1,2-dihydroisoquinolines.","Organic & biomolecular chemistry","2013","11","6","984","990","10.1039/c2ob27269e","","","0.71073","MoKα","","0.0799","0.0415","","","0.0942","0.1073","","","","","","1.006","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152823","9.801","0.003","10.969","0.003","14.07","0.004","90","","90","","90","","1512.6","0.8","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Br N O3 -","- C16 H12 Br N O3 -","- C64 H48 Br4 N4 O12 -","4","1","","De Fusco, Claudia; Meninno, Sara; Tedesco, Consiglia; Lattanzi, Alessandra","Enantioselective α-hydroxylation of β-ketoamides.","Organic & biomolecular chemistry","2013","11","6","896","899","10.1039/c2ob27283k","","","0.71073","MoKα","","0.1224","0.0789","","","0.1777","0.1993","","","","","","1.075","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152824","6.116","0.006","11.264","0.007","13.284","0.008","111.01","0.07","92.49","0.07","101.66","0.08","829.9","1.2","294","2","294","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C16 H19 N2 O5 P -","- C16 H19 N2 O5 P -","- C32 H38 N4 O10 P2 -","2","1","","Arróniz, Carlos; Molina, Juan; Abás, Sonia; Molins, Elies; Campanera, Josep M.; Luque, F. Javier; Escolano, Carmen","First diastereoselective [3 + 2] cycloaddition reaction of diethyl isocyanomethylphosphonate and maleimides.","Organic & biomolecular chemistry","2013","11","10","1640","1649","10.1039/c3ob26766k","","x-ray","0.71073","MoKα","","0.1876","0.0659","","","0.1378","0.1696","","","","","","0.898","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152825","14.959","0.002","14.959","0.002","14.02","0.003","90","","90","","120","","2717","0.8","113","2","113","2","","","","","","","","4","P 61","P 61","169","","","","- C21 H17 Br O4 -","- C21 H17 Br O4 -","- C126 H102 Br6 O24 -","6","1","","Li, Xin; Wang, Feng; Dong, Nan; Cheng, Jin-Pei","Phosphine-containing Lewis base catalyzed cyclization of benzofuranone type electron-deficient alkenes with allenoates: a facile synthesis of spirocyclic benzofuranones.","Organic & biomolecular chemistry","2013","11","9","1451","1455","10.1039/c3ob27288e","","","0.71073","MoKα","","0.0383","0.0337","","","0.0636","0.0657","","","","","","1.007","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152826","9.254","0.004","10.49","0.005","11.773","0.005","90.722","0.006","91.612","0.006","112.65","0.009","1054","0.8","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 Cl O6 -","- C22 H25 Cl O6 -","- C44 H50 Cl2 O12 -","2","1","","Li, Xin; Wang, Feng; Dong, Nan; Cheng, Jin-Pei","Phosphine-containing Lewis base catalyzed cyclization of benzofuranone type electron-deficient alkenes with allenoates: a facile synthesis of spirocyclic benzofuranones.","Organic & biomolecular chemistry","2013","11","9","1451","1455","10.1039/c3ob27288e","","","0.71073","MoKα","","0.0516","0.0333","","","0.0763","0.0806","","","","","","0.986","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152827","11.757","0.004","5.943","0.002","25.7","0.008","90","","102.394","0.006","90","","1753.9","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 F O4 -","- C21 H17 F O4 -","- C84 H68 F4 O16 -","4","1","","Li, Xin; Wang, Feng; Dong, Nan; Cheng, Jin-Pei","Phosphine-containing Lewis base catalyzed cyclization of benzofuranone type electron-deficient alkenes with allenoates: a facile synthesis of spirocyclic benzofuranones.","Organic & biomolecular chemistry","2013","11","9","1451","1455","10.1039/c3ob27288e","","","1.54187","CuKα","","0.0852","0.0816","","","0.178","0.1858","","","","","","1.164","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152828","7.0809","0.0007","7.6178","0.0008","21.146","0.002","90","","90","","90","","1140.6","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 O S -","- C12 H11 N3 O S -","- C48 H44 N12 O4 S4 -","4","1","","Xie, Zengyang; Zhu, Xiaojun; Guan, Yangfan; Zhu, Dunru; Hu, Hongwen; Lin, Chen; Pan, Yi; Jiang, Juli; Wang, Leyong","Cu-catalyzed direct C-H bond functionalization: a regioselective protocol to 5-aryl thiazolo[3,2-b]-1,2,4-triazoles.","Organic & biomolecular chemistry","2013","11","8","1390","1398","10.1039/c2ob27326h","","","0.71073","MoKα","","0.0486","0.0349","","","0.0752","0.0818","","","","","","1.038","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152829","6.3583","0.001","11.9472","0.0018","19.211","0.003","90","","91.318","0.002","90","","1459","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Br Cl0 N3 S -","- C16 H10 Br N3 S -","- C64 H40 Br4 N12 S4 -","4","1","","Xie, Zengyang; Zhu, Xiaojun; Guan, Yangfan; Zhu, Dunru; Hu, Hongwen; Lin, Chen; Pan, Yi; Jiang, Juli; Wang, Leyong","Cu-catalyzed direct C-H bond functionalization: a regioselective protocol to 5-aryl thiazolo[3,2-b]-1,2,4-triazoles.","Organic & biomolecular chemistry","2013","11","8","1390","1398","10.1039/c2ob27326h","","","0.71073","MoKα","","0.0539","0.0357","","","0.0857","0.0917","","","","","","1.032","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152830","12.297","0.003","5.9174","0.0009","14.699","0.003","90","","105.678","0.004","90","","1029.8","0.4","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Br N O2 -","- C22 H24 Br N O2 -","- C44 H48 Br2 N2 O4 -","2","1","","Lee, Myungmo; Lee, Young-Ju; Park, Eunyoung; Park, Yohan; Ha, Min Woo; Hong, Suckchang; Lee, Yeon-Ju; Kim, Taek-Soo; Kim, Mi-Hyun; Park, Hyeung-Geun","Highly enantioselective synthesis of 5-phenyl-2-alkylprolines using phase-transfer catalytic alkylation.","Organic & biomolecular chemistry","2013","11","12","2039","2046","10.1039/c3ob27089k","","","0.71075","MoKα","","","0.0405","","","","0.1218","","","","","","0.994","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152831","14.298","0.001","5.6536","0.0005","17.4704","0.0014","90","","111.057","0.004","90","","1317.92","0.19","120","0.1","120","0.1","","","","","","","synthesis as described","3","P 1 2/n 1","-P 2yac","13","2004uv01cj01","","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","","Bonancía, Paula; Vayá, Ignacio; Markovitsi, Dimitra; Gustavsson, Thomas; Jiménez, M Consuelo; Miranda, Miguel A.","Stereodifferentiation in the intramolecular singlet excited state quenching of hydroxybiphenyl-tryptophan dyads.","Organic & biomolecular chemistry","2013","11","12","1958","1963","10.1039/c3ob27278h","","x-ray","1.5418","CuKα","","0.0502","0.0446","","","0.1312","0.1363","","","","","","1.102","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152832","8.0469","0.0007","20.6366","0.0015","32.852","0.003","90","","90","","90","","5455.4","0.8","100","2","100","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","S-FBPOHMe","","","- C16 H16 O3 -","- C16 H16 O3 -","- C256 H256 O48 -","16","4","","Bonancía, Paula; Vayá, Ignacio; Markovitsi, Dimitra; Gustavsson, Thomas; Jiménez, M Consuelo; Miranda, Miguel A.","Stereodifferentiation in the intramolecular singlet excited state quenching of hydroxybiphenyl-tryptophan dyads.","Organic & biomolecular chemistry","2013","11","12","1958","1963","10.1039/c3ob27278h","","x-ray","0.71073","MoKα","","0.0744","0.0436","","","0.0887","0.1024","","","","","","1.034","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152833","10.6549","0.0004","12.0512","0.0005","17.2822","0.0005","90","","90","","90","","2219.11","0.14","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","S-FBPOH/R-Trp","","","- C27 H26 N2 O4 -","- C27 H26 N2 O4 -","- C108 H104 N8 O16 -","4","1","","Bonancía, Paula; Vayá, Ignacio; Markovitsi, Dimitra; Gustavsson, Thomas; Jiménez, M Consuelo; Miranda, Miguel A.","Stereodifferentiation in the intramolecular singlet excited state quenching of hydroxybiphenyl-tryptophan dyads.","Organic & biomolecular chemistry","2013","11","12","1958","1963","10.1039/c3ob27278h","","x-ray","0.71073","MoKα","","0.0613","0.0495","","","0.0996","0.1059","","","","","","1.089","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152834","11.2094","0.0016","14.479","0.002","16.455","0.002","80.674","0.003","86.095","0.003","75.836","0.003","2554.1","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29.25 H31 N4 O2.25 -","- C29.25 H30 N4 O2.25 -","- C117 H120 N16 O9 -","4","2","","Li, Honglin; Guan, Hong; Duan, Xinrui; Hu, Jun; Wang, Guiren; Wang, Qian","An acid catalyzed reversible ring-opening/ring-closure reaction involving a cyano-rhodamine spirolactam.","Organic & biomolecular chemistry","2013","11","11","1805","1809","10.1039/c3ob27356c","","","0.71073","MoKα","","0.0847","0.0459","","","0.0744","0.0843","","","","","","0.855","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152835","5.7374","0.0005","15.8715","0.0013","15.0804","0.0013","90","","96.019","0.001","90","","1365.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N2 O -","- C16 H20 N2 O -","- C64 H80 N8 O4 -","4","1","","Gautam, Lekh Nath; Wang, Qiaoyi; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Shi, Xiaodong","Stereoselective synthesis of N-heterocycles through amine addition to nitroalkenes.","Organic & biomolecular chemistry","2013","11","12","1917","1920","10.1039/c3ob27452g","","","0.71073","MoKα","","0.0653","0.0587","","","0.1664","0.1734","","","","","","1.056","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152836","20.6041","0.0014","10.2213","0.0006","6.8832","0.0005","90","","90.37","0.007","90","","1449.58","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 I N4 O -","- C13 H17 I N4 O -","- C52 H68 I4 N16 O4 -","4","1","","Lebraud, Honorine; Cano, Celine; Carbain, Benoit; Hardcastle, Ian R.; Harrington, Ross W.; Griffin, Roger J.; Golding, Bernard T.","Trifluoroethanol solvent facilitates selective N-7 methylation of purines.","Organic & biomolecular chemistry","2013","11","11","1874","1878","10.1039/c3ob27473j","","","0.71073","MoKα","","0.05","0.0428","","","0.1069","0.1121","","","","","","1.065","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152837","18.4983","0.0019","9.7453","0.001","14.3824","0.0015","90","","117.709","0.002","90","","2295.4","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H25 Br N2 O4 -","- C24 H25 Br N2 O4 -","- C96 H100 Br4 N8 O16 -","4","1","","Hu, Fang-Le; Wei, Yin; Shi, Min; Pindi, Suresh; Li, Guigen","Asymmetric catalytic aza-Morita-Baylis-Hillman reaction for the synthesis of 3-substituted-3-aminooxindoles with chiral quaternary carbon centers.","Organic & biomolecular chemistry","2013","11","12","1921","1924","10.1039/c3ob27495k","","","0.71073","MoKα","","0.0407","0.0353","","","0.0785","0.0806","","","","","","0.97","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152838","6.69","0.002","7.08","0.002","20.692","0.006","90","","95.955","0.005","90","","974.8","0.5","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H22 O8 -","- C22 H22 O8 -","- C44 H44 O16 -","2","1","","Wang, Zhaofeng; Zhao, Kun; Fu, Junkai; Zhang, Junlin; Yin, Weiyu; Tang, Yefeng","Organocatalytic 1,4-conjugate addition of ascorbic acid to α,β-unsaturated aldehydes: bio-inspired total syntheses of leucodrin, leudrin and proposed structure of dilaspirolactone.","Organic & biomolecular chemistry","2013","11","13","2093","2097","10.1039/c3ob00046j","","","0.71073","MoKα","","0.0498","0.0471","","","0.0973","0.0992","","","","","","1.119","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152839","6.1123","0.0004","17.974","0.0012","11.7487","0.0008","90","","96.038","0.001","90","","1283.58","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Zhang, Jinzhu; Wu, Jing; Yin, Zhiwei; Zeng, Haisu; Khanna, Kunal; Hu, Chunhua; Zheng, Shengping","An expedient stereoselective and chemoselective synthesis of bicyclic oxazolidinones from quinols and isocyanates.","Organic & biomolecular chemistry","2013","11","18","2939","2942","10.1039/c3ob00047h","","","0.71073","MoKα","","0.0483","0.0424","","","0.1124","0.1176","","","","","","1.042","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152840","11.3435","0.001","5.9481","0.0005","20.6935","0.0018","90","","103.511","0.001","90","","1357.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Br N O3 -","- C15 H14 Br N O3 -","- C60 H56 Br4 N4 O12 -","4","1","","Zhang, Jinzhu; Wu, Jing; Yin, Zhiwei; Zeng, Haisu; Khanna, Kunal; Hu, Chunhua; Zheng, Shengping","An expedient stereoselective and chemoselective synthesis of bicyclic oxazolidinones from quinols and isocyanates.","Organic & biomolecular chemistry","2013","11","18","2939","2942","10.1039/c3ob00047h","","","0.71073","MoKα","","0.0338","0.0248","","","0.0532","0.0564","","","","","","1.029","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152841","14.8275","0.0013","7.8956","0.0007","11.8515","0.0011","90","","94.993","0.001","90","","1382.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Zhang, Jinzhu; Wu, Jing; Yin, Zhiwei; Zeng, Haisu; Khanna, Kunal; Hu, Chunhua; Zheng, Shengping","An expedient stereoselective and chemoselective synthesis of bicyclic oxazolidinones from quinols and isocyanates.","Organic & biomolecular chemistry","2013","11","18","2939","2942","10.1039/c3ob00047h","","","0.71073","MoKα","","0.0409","0.0354","","","0.0897","0.0945","","","","","","1.054","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152842","8.517","0.006","10.598","0.007","16.662","0.011","90","","94.57","0.007","90","","1499.2","1.8","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Zhang, Jian-Jian; Yan, Chang-Song; Peng, Yu; Luo, Zhen-Biao; Xu, Xiao-Bo; Wang, Ya-Wen","Total synthesis of (±)-sacidumlignans D and A through Ueno-Stork radical cyclization reaction.","Organic & biomolecular chemistry","2013","11","15","2498","2513","10.1039/c3ob00053b","","","0.71073","MoKα","","0.0985","0.0452","","","0.1041","0.1286","","","","","","1.035","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152843","12.3947","0.0007","8.5143","0.0004","21.6771","0.001","90","","104.571","0.006","90","","2214.1","0.2","294.5","0.14","294.5","0.14","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C22 H24 O6 -","- C22 H24 O6 -","- C88 H96 O24 -","4","1","","Zhang, Jian-Jian; Yan, Chang-Song; Peng, Yu; Luo, Zhen-Biao; Xu, Xiao-Bo; Wang, Ya-Wen","Total synthesis of (±)-sacidumlignans D and A through Ueno-Stork radical cyclization reaction.","Organic & biomolecular chemistry","2013","11","15","2498","2513","10.1039/c3ob00053b","","","0.7107","MoKα","","0.1775","0.0973","","","0.2672","0.3319","","","","","","0.986","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152844","12.701","0.009","13.483","0.01","24.743","0.018","90","","95.229","0.006","90","","4220","5","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 O7 -","- C22 H28 O7 -","- C176 H224 O56 -","8","1","","Zhang, Jian-Jian; Yan, Chang-Song; Peng, Yu; Luo, Zhen-Biao; Xu, Xiao-Bo; Wang, Ya-Wen","Total synthesis of (±)-sacidumlignans D and A through Ueno-Stork radical cyclization reaction.","Organic & biomolecular chemistry","2013","11","15","2498","2513","10.1039/c3ob00053b","","","0.71073","MoKα","","0.0822","0.0499","","","0.1482","0.1754","","","","","","1.1","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152845","8.376","0.002","13.152","0.003","11.24","0.003","90","","104.024","0.004","90","","1201.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(2-Methylphenylimino)-1,3-thiaselenane","","- C11 H13 N S Se -","- C11 H13 N S Se -","- C44 H52 N4 S4 Se4 -","4","1","","Toyoda, Yosuke; Ninomiya, Masayuki; Ebihara, Masahiro; Koketsu, Mamoru","The Staudinger reaction with 2-imino-1,3-thiaselenanes toward the synthesis of C4 spiro-β-lactams.","Organic & biomolecular chemistry","2013","11","16","2652","2659","10.1039/c3ob00073g","","","0.71075","MoKα","","0.0539","0.0372","","","0.09","0.0967","","","","","","0.882","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152846","12.348","0.003","17.281","0.004","14.35","0.004","90","","100.9","0.004","90","","3006.8","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-Methoxy-5-selena-9-thia-1-(4-tolyl)-1-azaspiro[3.5]nonan-2-one","","- C14 H17 N O2 S Se -","- C14 H17 N O2 S Se -","- C112 H136 N8 O16 S8 Se8 -","8","2","","Toyoda, Yosuke; Ninomiya, Masayuki; Ebihara, Masahiro; Koketsu, Mamoru","The Staudinger reaction with 2-imino-1,3-thiaselenanes toward the synthesis of C4 spiro-β-lactams.","Organic & biomolecular chemistry","2013","11","16","2652","2659","10.1039/c3ob00073g","","","0.71075","MoKα","","0.0736","0.0576","","","0.1553","0.1667","","","","","","1.068","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152847","12.283","0.005","5.835","0.002","19.052","0.008","90","","91.933","0.006","90","","1364.7","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-Methoxy-N-phenyl-2-(1,3-thiaselenan-2-ylidene)acetamide","","- C13 H15 N O2 S Se -","- C13 H15 N O2 S Se -","- C52 H60 N4 O8 S4 Se4 -","4","1","","Toyoda, Yosuke; Ninomiya, Masayuki; Ebihara, Masahiro; Koketsu, Mamoru","The Staudinger reaction with 2-imino-1,3-thiaselenanes toward the synthesis of C4 spiro-β-lactams.","Organic & biomolecular chemistry","2013","11","16","2652","2659","10.1039/c3ob00073g","","","0.71075","MoKα","","0.1271","0.0697","","","0.1822","0.2658","","","","","","0.888","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152848","13.3763","0.0002","18.3674","0.0002","10.6707","0.0001","90","","98.939","0.001","90","","2589.82","0.05","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H28 O4 -","- C33 H28 O4 -","- C132 H112 O16 -","4","1","","Selvi, Thangavel; Srinivasan, Kannupal","Indium triflate-catalysed Diels-Alder reactions of isochromenylium cations with enones.","Organic & biomolecular chemistry","2013","11","13","2162","2167","10.1039/c3ob26284g","","","0.71073","MoKα","","0.0513","0.0419","","","0.1112","0.1199","","","","","","1.031","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152849","9.862","0.002","10.08","0.002","27.249","0.006","90","","90","","90","","2708.8","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-isopropyl-5-methylcyclohexyl-4-(tert-butoxycarbonylamino)-2-methyl-5-phenylpentanoate","2-isopropyl-5-methylcyclohexyl-4-(tert-butoxycarbonylamino)-2-methyl-5-phenylpentanoate","","- C27 H43 N O4 -","- C27 H43 N O4 -","- C108 H172 N4 O16 -","4","1","","Shankar, Sreejith P.; Jagodzinska, Monika; Malpezzi, Luciana; Lazzari, Paolo; Manca, Ilaria; Greig, Iain R.; Sani, Monica; Zanda, Matteo","Synthesis and structure-activity relationship studies of novel tubulysin U analogues - effect on cytotoxicity of structural variations in the tubuvaline fragment.","Organic & biomolecular chemistry","2013","11","14","2273","2287","10.1039/c3ob27111k","","","1.54179","CuKα","","0.0591","0.0477","","","0.1207","0.1301","","","","","","1.072","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152850","12.756","0.005","15.696","0.005","10.018","0.005","90","0.005","98.51","0.005","90","0.005","1983.7","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(3-(tert-butoxycarbonylamino)-4-methylpentanoyl) thiazole-4-carboxylate","","- C17 H28 N2 O5 S -","- C17 H28 N2 O5 S -","- C68 H112 N8 O20 S4 -","4","1","","Shankar, Sreejith P.; Jagodzinska, Monika; Malpezzi, Luciana; Lazzari, Paolo; Manca, Ilaria; Greig, Iain R.; Sani, Monica; Zanda, Matteo","Synthesis and structure-activity relationship studies of novel tubulysin U analogues - effect on cytotoxicity of structural variations in the tubuvaline fragment.","Organic & biomolecular chemistry","2013","11","14","2273","2287","10.1039/c3ob27111k","","","1.54179","CuKα","","0.0768","0.0552","","","0.1423","0.1584","","","","","","1.057","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152851","14.698","0.002","14.698","0.001","15.598","0.003","90","","90","","90","","3369.7","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 F6 N3 O8 -","- C29 H39 F6 N3 O8 -","- C116 H156 F24 N12 O32 -","4","1","","Bellucci, Maria Cristina; Terraneo, Giancarlo; Volonterio, Alessandro","Multi-component synthesis of peptide-sugar conjugates.","Organic & biomolecular chemistry","2013","11","15","2421","2444","10.1039/c3ob27176e","","","0.71073","MoKα","","0.0862","0.0438","","","0.1157","0.132","","","","","","0.956","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7152852","11.13","0.001","17.499","0.001","14.051","0.001","90","","99.9","0.003","90","","2695.9","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H35 F6 N3 O4 -","- C21 H35 F6 N3 O4 -","- C84 H140 F24 N12 O16 -","4","2","","Bellucci, Maria Cristina; Terraneo, Giancarlo; Volonterio, Alessandro","Multi-component synthesis of peptide-sugar conjugates.","Organic & biomolecular chemistry","2013","11","15","2421","2444","10.1039/c3ob27176e","","","0.71073","MoKα","","0.1055","0.0499","","","0.0915","0.1081","","","","","","1.006","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152853","7.192","0.003","14.069","0.004","9.2117","0.0016","90","","102.365","0.019","90","","910.5","0.5","123","1","123","1","","","","","","","Alan Spivey","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N O -","- C11 H13 N O -","- C44 H52 N4 O4 -","4","1","","Webber, Matthew J; Warren, Sarah A; Grainger, Damian M; Weston, Matthew; Clark, Stacy; Woodhead, Steven J; Powell, Lyn; Stokes, Stephen; Alanine, Alexander; Stonehouse, Jeffrey P; Frampton, Christopher S; White, Andrew J P; Spivey, Alan C","Towards the enantioselective synthesis of (-)-euonyminol‒preparation of a fully functionalised lower-rim model.","Organic & biomolecular chemistry","2013","11","15","2514","2533","10.1039/c3ob27187k","","","0.71069","MoKα","","0.0517","0.0413","","","0.1134","0.1203","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152854","6.2151","0.0002","16.8252","0.0005","9.7311","0.0004","90","","90.176","0.001","90","","1017.58","0.06","120","1","120","1","","","","","","","","4","P 1 21 1","P 2yb","4","03csf003","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C46 H54 N2 O8 -","2","1","","Webber, Matthew J; Warren, Sarah A; Grainger, Damian M; Weston, Matthew; Clark, Stacy; Woodhead, Steven J; Powell, Lyn; Stokes, Stephen; Alanine, Alexander; Stonehouse, Jeffrey P; Frampton, Christopher S; White, Andrew J P; Spivey, Alan C","Towards the enantioselective synthesis of (-)-euonyminol‒preparation of a fully functionalised lower-rim model.","Organic & biomolecular chemistry","2013","11","15","2514","2533","10.1039/c3ob27187k","","","0.71073","MoKα","","0.0761","0.0518","","","0.1087","0.1216","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152855","10.6749","0.0008","11.6338","0.0009","17.366","0.0011","108.132","0.003","103.266","0.003","110.833","0.004","1769.5","0.2","273","1","273","1","","","","","","","","4","P -1","-P 1","2","04csf005","","","- C40 H47 N O7 -","- C40 H47 N O7 -","- C80 H94 N2 O14 -","2","1","","Webber, Matthew J; Warren, Sarah A; Grainger, Damian M; Weston, Matthew; Clark, Stacy; Woodhead, Steven J; Powell, Lyn; Stokes, Stephen; Alanine, Alexander; Stonehouse, Jeffrey P; Frampton, Christopher S; White, Andrew J P; Spivey, Alan C","Towards the enantioselective synthesis of (-)-euonyminol‒preparation of a fully functionalised lower-rim model.","Organic & biomolecular chemistry","2013","11","15","2514","2533","10.1039/c3ob27187k","","","0.71073","MoKα","","0.0513","0.0455","","","0.1213","0.1277","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152856","16.17422","0.00015","16.17422","0.00015","7.32793","0.00011","90","","90","","90","","1917.03","0.04","173","","173","","","","","","","","","4","P 43","P 4cw","78","","","","- C19 H27 N O5 -","- C17 H23 N O4 -","- C68 H92 N4 O16 -","4","1","","Webber, Matthew J; Warren, Sarah A; Grainger, Damian M; Weston, Matthew; Clark, Stacy; Woodhead, Steven J; Powell, Lyn; Stokes, Stephen; Alanine, Alexander; Stonehouse, Jeffrey P; Frampton, Christopher S; White, Andrew J P; Spivey, Alan C","Towards the enantioselective synthesis of (-)-euonyminol‒preparation of a fully functionalised lower-rim model.","Organic & biomolecular chemistry","2013","11","15","2514","2533","10.1039/c3ob27187k","","","1.54184","CuKα","","0.044","0.0374","","","0.0947","0.0987","","","","","","1.048","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152857","10.6847","0.0002","12.1746","0.0003","14.678","0.0003","90","","95.328","0.002","90","","1901.09","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 N O6 -","- C19 H29 N O6 -","- C76 H116 N4 O24 -","4","1","","Webber, Matthew J; Warren, Sarah A; Grainger, Damian M; Weston, Matthew; Clark, Stacy; Woodhead, Steven J; Powell, Lyn; Stokes, Stephen; Alanine, Alexander; Stonehouse, Jeffrey P; Frampton, Christopher S; White, Andrew J P; Spivey, Alan C","Towards the enantioselective synthesis of (-)-euonyminol‒preparation of a fully functionalised lower-rim model.","Organic & biomolecular chemistry","2013","11","15","2514","2533","10.1039/c3ob27187k","","","1.54184","CuKα","","0.0407","0.037","","","0.1","0.1021","","","","","","1.081","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152858","8.623","0.003","41.598","0.013","19.413","0.006","90","","100.518","0.005","90","","6846","4","100","2","100","2","","","","","","","Claudia Caltagirone","4","P 1 21/n 1","-P 2yn","14","","","","- C75 H107 N7 O6 -","- C75 H107 N7 O6 -","- C300 H428 N28 O24 -","4","1","","Caltagirone, Claudia; Bazzicalupi, Carla; Isaia, Francesco; Light, Mark E.; Lippolis, Vito; Montis, Riccardo; Murgia, Sergio; Olivari, Martina; Picci, Giacomo","A new family of bis-ureidic receptors for pyrophosphate optical sensing.","Organic & biomolecular chemistry","2013","11","15","2445","2451","10.1039/c3ob27244c","","","0.71075","MoKα","","0.1606","0.1018","","","0.1504","0.1762","","","","","","1.196","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152859","10.2116","0.0007","19.269","0.001","10.7192","0.0007","90","","113.424","0.001","90","","1935.4","0.2","123.2","","123.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N6 O -","- C21 H24 N6 O -","- C84 H96 N24 O4 -","4","1","","Soeta, Takahiro; Tamura, Kaname; Fujinami, Shuhei; Ukaji, Yutaka","A three-component reaction of C,N-cyclic N'-acyl azomethine imines, isocyanides, and azide compounds: effective synthesis of 1,5-disubstituted tetrazoles with tetrahydroisoquinoline skeletons.","Organic & biomolecular chemistry","2013","11","13","2168","2174","10.1039/c3ob27297d","","","0.7107","MoKα","","","0.0493","","","","0.0738","","","","","","1.294","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152860","6.0206","0.0004","10.2488","0.0007","20.3688","0.0013","90","","90","","90","","1256.83","0.14","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 Br S -","- C14 H11 Br S -","- C56 H44 Br4 S4 -","4","1","","Yang, Zhaozhen; Chen, Xiaoyi; Kong, Wei; Xia, Siyuan; Zheng, Renwei; Luo, Fang; Zhu, Gangguo","An operationally simple approach to (E)-α-halo vinyl sulfides and their applications for accessing stereodefined trisubstituted alkenes.","Organic & biomolecular chemistry","2013","11","13","2175","2185","10.1039/c3ob27307e","","","0.71073","MoKα","","0.0682","0.0353","","","0.074","0.0815","","","","","","1.059","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152861","17.855","0.002","6.2136","0.0007","27.618","0.003","90","","104.351","0.0017","90","","2968.4","0.6","123.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 O2 -","- C42 H38 O2 -","- C168 H152 O8 -","4","1","","Hu, Jian-Yong; Paudel, Arjun; Seto, Nobuyuki; Feng, Xing; Era, Masanao; Matsumoto, Taisuke; Tanaka, Junji; Elsegood, Mark R. J.; Redshaw, Carl; Yamato, Takehiko","Pyrene-cored blue-light emitting [4]helicenes: synthesis, crystal structures, and photophysical properties.","Organic & biomolecular chemistry","2013","11","13","2186","2197","10.1039/c3ob27320b","","","0.7107","MoKα","","","0.118","","","","0.2846","","","","","","1.231","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152862","11.3212","0.0006","11.3699","0.0006","25.0897","0.0014","96.268","0.004","96.618","0.004","90.287","0.004","3188.4","0.3","150","2","150","2","","","","","","","","2","P -1","-P 1","2","","","","- C44 H42 -","- C44 H42 -","- C176 H168 -","4","2","","Hu, Jian-Yong; Paudel, Arjun; Seto, Nobuyuki; Feng, Xing; Era, Masanao; Matsumoto, Taisuke; Tanaka, Junji; Elsegood, Mark R. J.; Redshaw, Carl; Yamato, Takehiko","Pyrene-cored blue-light emitting [4]helicenes: synthesis, crystal structures, and photophysical properties.","Organic & biomolecular chemistry","2013","11","13","2186","2197","10.1039/c3ob27320b","","","0.7749","synchrotron","","0.089","0.0609","","","0.1558","0.1721","","","","","","1.03","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7152863","10.1439","0.0009","20.8219","0.0016","30.084","0.003","72.507","0.005","85.489","0.006","89.879","0.006","6040","0.9","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H38 O2 -","- C42 H38 O2 -","- C336 H304 O16 -","8","4","","Hu, Jian-Yong; Paudel, Arjun; Seto, Nobuyuki; Feng, Xing; Era, Masanao; Matsumoto, Taisuke; Tanaka, Junji; Elsegood, Mark R. J.; Redshaw, Carl; Yamato, Takehiko","Pyrene-cored blue-light emitting [4]helicenes: synthesis, crystal structures, and photophysical properties.","Organic & biomolecular chemistry","2013","11","13","2186","2197","10.1039/c3ob27320b","","","0.7749","synchrotron","","0.1079","0.0752","","","0.1907","0.2123","","","","","","1.061","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7152864","5.7917","0.0006","16.0545","0.0016","18.954","0.002","90","","90.01","0.001","90","","1762.4","0.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 O4 -","- C9 H14 O4 -","- C72 H112 O32 -","8","2","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.2419","0.128","","","0.2915","0.3449","","","","","","1.057","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152865","7.3977","0.0003","9.1656","0.0003","14.8408","0.0005","90","","99.475","0.002","90","","992.54","0.06","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 O4 -","- C10 H16 O4 -","- C40 H64 O16 -","4","1","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.051","0.043","","","0.1138","0.1219","","","","","","1.064","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152866","15.108","0.0003","9.3204","0.0002","16.7632","0.0004","90","","112.403","0.001","90","","2182.32","0.08","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 O4 -","- C11 H18 O4 -","- C88 H144 O32 -","8","2","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.0441","0.036","","","0.0956","0.1035","","","","","","0.814","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152867","9.0166","0.0005","29.3472","0.0017","10.9981","0.0006","90","","108.743","0.002","90","","2755.9","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 Cl2 O8 -","- C25 H42 Cl2 O8 -","- C100 H168 Cl8 O32 -","4","1","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.0862","0.0567","","","0.136","0.1537","","","","","","1.032","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152868","9.3155","0.0011","19.012","0.002","6.3222","0.0007","90","","118.966","0.002","90","","979.63","0.19","200","2","200","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C10 H16 O4 -","- C10 H16 O4 -","- C40 H64 O16 -","4","1","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.0453","0.0385","","","0.0993","0.1053","","","","","","1.044","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152869","5.902","0.0002","34.899","0.0012","7.948","0.0002","90","","100.671","0.001","90","","1608.77","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 O5 S -","- C16 H22 O5 S -","- C64 H88 O20 S4 -","4","1","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.0812","0.0624","","","0.1767","0.196","","","","","","1.052","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152870","9.829","0.0004","9.8991","0.0004","16.3718","0.0006","90","","90","","90","","1592.95","0.11","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O4 S -","- C16 H23 N O4 S -","- C64 H92 N4 O16 S4 -","4","1","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.0355","0.0331","","","0.0862","0.088","","","","","","1.043","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152871","9.9411","0.0004","14.1752","0.0005","14.3185","0.0006","66.168","0.002","82.006","0.001","90.097","0.002","1824.01","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H27 N O4 S -","- C18 H27 N O4 S -","- C72 H108 N4 O16 S4 -","4","2","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.1596","0.0982","","","0.2531","0.2953","","","","","","1.022","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152872","5.7769","0.0009","8.856","0.002","14.249","0.003","84.286","0.008","79.6","0.006","76.235","0.008","695.2","0.2","180","2","180","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H38 N2 O8 -","- C30 H38 N2 O8 -","- C30 H38 N2 O8 -","1","1","","Tambara, Koujiro; Pantoş, G Dan","Conversion of aldoximes into nitriles and amides under mild conditions.","Organic & biomolecular chemistry","2013","11","15","2466","2472","10.1039/c3ob27362h","","","0.71073","MoKα","","0.1024","0.0934","","","0.2637","0.2715","","","","","","1.067","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152873","8.53","0.0003","12.4076","0.0004","15.1863","0.0007","90","","90","","90","","1607.27","0.11","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 N4 O2 -","- C17 H24 N4 O2 -","- C68 H96 N16 O8 -","4","1","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","1.5418","CuKα","","0.0444","0.0387","","","0.1035","0.1165","","","","","","1.154","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152874","15.0424","0.0007","11.666","0.0004","12.3412","0.0005","90","","111.569","0.005","90","","2014.04","0.16","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N4 O2 -","- C23 H28 N4 O2 -","- C92 H112 N16 O8 -","4","1","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","1.5418","CuKα","","0.1001","0.0809","","","0.2029","0.2153","","","","","","1.098","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152875","8.6628","0.0004","8.6628","0.0004","55.161","0.002","90","","90","","90","","4139.5","0.3","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C23 H28 N4 O2 -","- C23 H28 N4 O2 -","- C184 H224 N32 O16 -","8","1","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","0.71073","MoKα","","0.0495","0.0413","","","0.0966","0.1014","","","","","","1.066","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152876","12.9249","0.0004","20.3503","0.0005","9.3869","0.0004","90","","124.73","0.001","90","","2029.13","0.12","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H28 N4 O2 -","- C23 H28 N4 O2 -","- C92 H112 N16 O8 -","4","1","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","0.71073","MoKα","","0.0644","0.0509","","","0.1056","0.1156","","","","","","1.059","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152877","7.9849","0.0003","7.9849","0.0003","19.6071","0.0008","90","","90","","90","","1250.12","0.08","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C11 H20 N4 O2 -","- C11 H20 N4 O2 -","- C44 H80 N16 O8 -","4","0.5","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","0.71073","MoKα","","0.0507","0.0414","","","0.1043","0.1118","","","","","","1.02","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152878","8.1565","0.0008","12.776","0.0015","15.5401","0.0017","90","","90","","90","","1619.4","0.3","150","2","150","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C15 H28 N4 O2 -","- C15 H28 N4 O2 -","- C60 H112 N16 O8 -","4","0.5","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","0.71073","MoKα","","0.1156","0.0775","","","0.1471","0.1639","","","","","","1.068","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152879","14.0399","0.0003","8.1422","0.0002","14.4418","0.0003","90","","90","","90","","1650.92","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 N4 O2 -","- C15 H28 N4 O2 -","- C60 H112 N16 O8 -","4","1","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","0.71073","MoKα","","0.057","0.045","","","0.0982","0.1057","","","","","","1.036","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152880","6.6979","0.0002","12.3452","0.0005","13.8609","0.0004","90","","103.061","0.002","90","","1116.47","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 N4 O3 -","- C9 H18 N4 O3 -","- C36 H72 N16 O12 -","4","1","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","0.71073","MoKα","","0.0896","0.054","","","0.1145","0.1291","","","","","","1.048","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152881","8.6902","0.0001","34.9283","0.0003","11.4932","0.0002","90","","103.15","","90","","3397.1","0.08","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C30 H25 Au F6 N O7 P S2 -","- C30 H25 Au F6 N O7 P S2 -","- C120 H100 Au4 F24 N4 O28 P4 S8 -","4","2","","Newcombe, Sonya; Bobin, Mariusz; Shrikhande, Amruta; Gallop, Chris; Pace, Yannick; Yong, Helen; Gates, Rebecca; Chaudhuri, Shuvashri; Roe, Mark; Hoffmann, Eva; Viseux, Eddy M. E.","Gold amides as anticancer drugs: synthesis and activity studies.","Organic & biomolecular chemistry","2013","11","19","3255","3260","10.1039/c3ob27460h","","x-ray","0.71073","MoKα","","0.0479","0.0375","","","0.0789","0.0832","","","","","","1.003","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152882","11.581","0.0002","13.095","0.0003","13.0305","0.0003","90","","114.426","0.001","90","","1799.25","0.07","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C37 H33 Au F3 N2 O4 P S -","- C37 H33 Au F3 N2 O4 P S -","- C74 H66 Au2 F6 N4 O8 P2 S2 -","2","1","","Newcombe, Sonya; Bobin, Mariusz; Shrikhande, Amruta; Gallop, Chris; Pace, Yannick; Yong, Helen; Gates, Rebecca; Chaudhuri, Shuvashri; Roe, Mark; Hoffmann, Eva; Viseux, Eddy M. E.","Gold amides as anticancer drugs: synthesis and activity studies.","Organic & biomolecular chemistry","2013","11","19","3255","3260","10.1039/c3ob27460h","","x-ray","0.71073","MoKα","","0.0519","0.046","","","0.1194","0.1249","","","","","","1.064","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152883","10.5355","0.0003","11.8539","0.0004","15.7927","0.0005","94.235","0.002","100.106","0.001","112.49","0.002","1772.35","0.1","173","2","173","2","","","","","","","synthesis as described","8","P 1","P 1","1","","","","- C72 H72 Au2 F6 N4 O6 P2 S2 -","- C72 H72 Au2 F6 N4 O6 P2 S2 -","- C72 H72 Au2 F6 N4 O6 P2 S2 -","1","1","","Newcombe, Sonya; Bobin, Mariusz; Shrikhande, Amruta; Gallop, Chris; Pace, Yannick; Yong, Helen; Gates, Rebecca; Chaudhuri, Shuvashri; Roe, Mark; Hoffmann, Eva; Viseux, Eddy M. E.","Gold amides as anticancer drugs: synthesis and activity studies.","Organic & biomolecular chemistry","2013","11","19","3255","3260","10.1039/c3ob27460h","","x-ray","0.71073","MoKα","","0.0374","0.0305","","","0.0675","0.0706","","","","","","1.048","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152884","10.958","0.013","11.539","0.013","16.667","0.019","75.826","0.013","82.501","0.013","65.07","0.012","1852","4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H35 F12 N5 O P2 -","- C36 H35 F12 N5 O P2 -","- C72 H70 F24 N10 O2 P4 -","2","1","","Zhang, Dawei; Jiang, Xiaozhi; Yang, Haiqiang; Martinez, Alexandre; Feng, Meiyuan; Dong, Zhiyun; Gao, Guohua","Acridine-based macrocyclic fluorescent sensors: self-assembly behavior characterized by crystal structures and a tunable bathochromic-shift in emission induced by H2PO4(-)via adjusting the ring size and rigidity.","Organic & biomolecular chemistry","2013","11","20","3375","3381","10.1039/c3ob27500k","","","0.71073","MoKα","","0.0877","0.0744","","","0.2161","0.2335","","","","","","1.034","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7152885","9.6585","0.0004","25.7091","0.0012","14.0835","0.0007","90","","92.542","0.002","90","","3493.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H56 F24 N10 O P4 -","- C68 H56 F24 N10 O P4 -","- C136 H112 F48 N20 O2 P8 -","2","0.5","","Zhang, Dawei; Jiang, Xiaozhi; Yang, Haiqiang; Martinez, Alexandre; Feng, Meiyuan; Dong, Zhiyun; Gao, Guohua","Acridine-based macrocyclic fluorescent sensors: self-assembly behavior characterized by crystal structures and a tunable bathochromic-shift in emission induced by H2PO4(-)via adjusting the ring size and rigidity.","Organic & biomolecular chemistry","2013","11","20","3375","3381","10.1039/c3ob27500k","","","0.71073","MoKα","","0.2034","0.0815","","","0.2006","0.2533","","","","","","1.104","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152886","14.481","0.003","13.824","0.003","16.878","0.003","90","","109.685","0.003","90","","3181.3","1.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H15.5 Br N2.5 O1.5 -","- C17 H15.5 Br N2.5 O1.5 -","- C136 H124 Br8 N20 O12 -","8","4","","Zhang, Dawei; Jiang, Xiaozhi; Yang, Haiqiang; Martinez, Alexandre; Feng, Meiyuan; Dong, Zhiyun; Gao, Guohua","Acridine-based macrocyclic fluorescent sensors: self-assembly behavior characterized by crystal structures and a tunable bathochromic-shift in emission induced by H2PO4(-)via adjusting the ring size and rigidity.","Organic & biomolecular chemistry","2013","11","20","3375","3381","10.1039/c3ob27500k","","","0.71073","MoKα","","0.106","0.0641","","","0.1537","0.1815","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152887","8.8544","0.0015","11.0995","0.0019","16.475","0.003","91.233","0.002","90.453","0.002","105.781","0.002","1557.6","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C4.11 H3.22 Br0.22 N0.56 O0.06 -","- C4.11111 H3.22222 Br0.222222 N0.555556 O0.0555556 -","- C74 H58 Br4 N10 O -","18","9","","Zhang, Dawei; Jiang, Xiaozhi; Yang, Haiqiang; Martinez, Alexandre; Feng, Meiyuan; Dong, Zhiyun; Gao, Guohua","Acridine-based macrocyclic fluorescent sensors: self-assembly behavior characterized by crystal structures and a tunable bathochromic-shift in emission induced by H2PO4(-)via adjusting the ring size and rigidity.","Organic & biomolecular chemistry","2013","11","20","3375","3381","10.1039/c3ob27500k","","","0.71073","MoKα","","0.1144","0.063","","","0.1865","0.2112","","","","","","1.082","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152888","7.7325","0.0003","8.863","0.0003","9.8596","0.0003","82.255","0.002","68.663","0.002","78.619","0.002","615.55","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H11 N O -","- C17 H11 N O -","- C34 H22 N2 O2 -","2","1","","Chen, Xuxing; He, Qian; Xie, Yuyuan; Yang, Chunhao","Palladium(ii)-catalyzed synthesis of functionalized indenones via oxidation and cyclization of 2-(2-arylethynylphenyl)acetonitriles.","Organic & biomolecular chemistry","2013","11","16","2582","2585","10.1039/c3ob40103k","","","0.71073","MoKα","","0.0586","0.0503","","","0.1646","0.1725","","","","","","1.634","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152889","9.6394","0.0003","13.2527","0.0004","22.5332","0.0006","90","","90","","90","","2878.57","0.15","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 O7 S2 -","- C30 H36 O7 S2 -","- C120 H144 O28 S8 -","4","1","","Sreedharan, Dinesh T.; Clive, Derrick L. J.","Asymmetric synthesis of carbocycles: use of intramolecular conjugate displacement.","Organic & biomolecular chemistry","2013","11","19","3128","3144","10.1039/c3ob40115d","","","0.71073","MoKα","","0.0281","0.0266","","","0.0694","0.0705","","","","","","1.02","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152890","5.7115","0.0001","15.4417","0.0003","19.7977","0.0004","90","","95.9719","0.0008","90","","1736.59","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2Z)-2-(5-fluoro-2-{2-(phenylsulfonyl)ethyl}benzyl)but-2-ene-1,4-diol","","- C19 H21 F O4 S -","- C19 H21 F O4 S -","- C76 H84 F4 O16 S4 -","4","1","","Sreedharan, Dinesh T.; Clive, Derrick L. J.","Asymmetric synthesis of carbocycles: use of intramolecular conjugate displacement.","Organic & biomolecular chemistry","2013","11","19","3128","3144","10.1039/c3ob40115d","","","1.54178","CuKα","","0.0427","0.0405","","","0.1143","0.1166","","","","","","1.033","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152891","12.4942","0.0006","13.9308","0.0006","40.8485","0.0018","90","","90","","90","","7109.9","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H46 F O7.5 S2 -","- C38 H46 F O7.5 S2 -","- C304 H368 F8 O60 S16 -","8","2","","Sreedharan, Dinesh T.; Clive, Derrick L. J.","Asymmetric synthesis of carbocycles: use of intramolecular conjugate displacement.","Organic & biomolecular chemistry","2013","11","19","3128","3144","10.1039/c3ob40115d","","","0.71073","MoKα","","0.0599","0.0412","","","0.0844","0.0932","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152892","8.2366","0.0002","12.8102","0.0003","37.2684","0.0007","90","","90","","90","","3932.28","0.15","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H48 F O9 S2 -","- C37 H41 F O9 S2 -","- C148 H164 F4 O36 S8 -","4","1","","Sreedharan, Dinesh T.; Clive, Derrick L. J.","Asymmetric synthesis of carbocycles: use of intramolecular conjugate displacement.","Organic & biomolecular chemistry","2013","11","19","3128","3144","10.1039/c3ob40115d","","","1.54178","CuKα","","0.0295","0.0292","","","0.0789","0.0791","","","","","","1.084","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152893","12.3385","0.0001","13.7101","0.0002","41.224","0.0005","90","","90","","90","","6973.54","0.14","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H42 F O7.5 S2 -","- C37 H42 F O7.5 S2 -","- C296 H336 F8 O60 S16 -","8","2","","Sreedharan, Dinesh T.; Clive, Derrick L. J.","Asymmetric synthesis of carbocycles: use of intramolecular conjugate displacement.","Organic & biomolecular chemistry","2013","11","19","3128","3144","10.1039/c3ob40115d","","","1.54178","CuKα","","0.0291","0.0284","","","0.076","0.0765","","","","","","1.057","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152894","9.912","0.0006","11.6861","0.0009","15.4195","0.0011","93.93","0.001","104.033","0.002","103.177","0.002","1672.6","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H38 N2 O3 -","- C37 H38 N2 O3 -","- C74 H76 N4 O6 -","2","1","","Ding, Yubin; Li, Tong; Li, Xin; Zhu, Weihong; Xie, Yongshu","From nonconjugation to conjugation: novel meso-OH substituted dipyrromethanes as fluorescence turn-on Zn(2+) probes.","Organic & biomolecular chemistry","2013","11","16","2685","2692","10.1039/c3ob40121a","","","0.71073","MoKα","","0.1287","0.0603","","","0.1044","0.1206","","","","","","1.063","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152895","10.477","0.003","12.939","0.003","13.929","0.003","111.981","0.007","99.22","0.007","101.616","0.007","1656.4","0.7","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H44 N6 O -","- C38 H44 N6 O -","- C76 H88 N12 O2 -","2","1","","Guchhait, Tapas; Jha, Vikesh Kumar; Mani, Ganesan","The syn and anti isomers of the porphyrinogen-like precursor of calix[4]phyrin: isolation, X-ray structure, anion binding and fluoride-ion-mediated proton-deuterium exchange studies.","Organic & biomolecular chemistry","2013","11","17","2818","2826","10.1039/c3ob40147b","","","0.71073","MoKα","","0.0799","0.0478","","","0.1151","0.1315","","","","","","1.005","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152896","11.774","0.002","13.988","0.003","17.936","0.003","97.519","0.006","104.854","0.006","111.281","0.005","2577","0.8","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H43.33 N6 O0.66 -","- C38 H43.3333 N6 O0.666667 -","- C114 H130 N18 O2 -","3","1.5","","Guchhait, Tapas; Jha, Vikesh Kumar; Mani, Ganesan","The syn and anti isomers of the porphyrinogen-like precursor of calix[4]phyrin: isolation, X-ray structure, anion binding and fluoride-ion-mediated proton-deuterium exchange studies.","Organic & biomolecular chemistry","2013","11","17","2818","2826","10.1039/c3ob40147b","","","0.71073","MoKα","","0.1194","0.053","","","0.1182","0.1475","","","","","","1.004","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152897","13.937","0.005","19.444","0.007","11.779","0.004","90","","100.961","0.014","90","","3133.8","1.9","295","2","295","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C38 H38 N6 -","- C38 H38 N6 -","- C152 H152 N24 -","4","1","","Guchhait, Tapas; Jha, Vikesh Kumar; Mani, Ganesan","The syn and anti isomers of the porphyrinogen-like precursor of calix[4]phyrin: isolation, X-ray structure, anion binding and fluoride-ion-mediated proton-deuterium exchange studies.","Organic & biomolecular chemistry","2013","11","17","2818","2826","10.1039/c3ob40147b","","","0.71073","MoKα","","0.081","0.0503","","","0.1126","0.1266","","","","","","1.043","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152898","6.9174","0.0002","9.4363","0.0003","14.0634","0.0004","90","","90","","90","","917.98","0.05","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H15 N O3 -","- C8 H15 N O3 -","- C32 H60 N4 O12 -","4","1","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Polyhydroxylated pyrrolizidine alkaloids from transannular iodoaminations: application to the asymmetric syntheses of (-)-hyacinthacine A1, (-)-7a-epi-hyacinthacine A1, (-)-hyacinthacine A2, and (-)-1-epi-alexine.","Organic & biomolecular chemistry","2013","11","19","3187","3202","10.1039/c3ob40205c","","","1.54184","CuKα","","0.0382","0.034","","0.0864","0.083","0.0864","","","","","","1.0023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152899","9.0523","0.0001","11.9795","0.0002","22.5183","0.0004","90","","90","","90","","2441.93","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 N O6 -","- C25 H37 N O6 -","- C100 H148 N4 O24 -","4","1","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Polyhydroxylated pyrrolizidine alkaloids from transannular iodoaminations: application to the asymmetric syntheses of (-)-hyacinthacine A1, (-)-7a-epi-hyacinthacine A1, (-)-hyacinthacine A2, and (-)-1-epi-alexine.","Organic & biomolecular chemistry","2013","11","19","3187","3202","10.1039/c3ob40205c","","","0.71073","MoKα","","0.0322","0.028","","0.0678","0.0635","0.0678","","","","","","0.9306","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152900","7.677","0.0015","14.89","0.003","8.9195","0.0018","90","","105.14","0.03","90","","984.2","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C40 H60 N4 O12 -","4","1","","Li, Guang; Zhang, Xun; Li, Qi; Feng, Pengju; Shi, Yian","A concise approach to the spiroiminal fragment of marineosins.","Organic & biomolecular chemistry","2013","11","18","2936","2938","10.1039/c3ob40208h","","","0.71073","MoKα","","0.0695","0.0615","","","0.1283","0.1326","","","","","","1.166","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152901","13.826","0.003","9.5792","0.0019","16.063","0.003","90","","90","","90","","2127.4","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C80 H136 N8 O24 -","8","1","","Li, Guang; Zhang, Xun; Li, Qi; Feng, Pengju; Shi, Yian","A concise approach to the spiroiminal fragment of marineosins.","Organic & biomolecular chemistry","2013","11","18","2936","2938","10.1039/c3ob40208h","","","0.71073","MoKα","","0.0722","0.061","","","0.1202","0.1253","","","","","","1.191","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152902","25.951","0.005","5.6442","0.0011","15.203","0.003","90","","113.62","0.03","90","","2040.3","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C80 H136 N8 O24 -","8","1","","Li, Guang; Zhang, Xun; Li, Qi; Feng, Pengju; Shi, Yian","A concise approach to the spiroiminal fragment of marineosins.","Organic & biomolecular chemistry","2013","11","18","2936","2938","10.1039/c3ob40208h","","","0.71073","MoKα","","0.0947","0.0833","","","0.1619","0.1678","","","","","","1.233","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152903","11.044","0.003","8.006","0.0019","11.73","0.003","90","","98.346","0.004","90","","1026.2","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C40 H68 N4 O12 -","4","1","","Li, Guang; Zhang, Xun; Li, Qi; Feng, Pengju; Shi, Yian","A concise approach to the spiroiminal fragment of marineosins.","Organic & biomolecular chemistry","2013","11","18","2936","2938","10.1039/c3ob40208h","","","0.71073","MoKα","","0.0555","0.0502","","","0.1136","0.1176","","","","","","1.112","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152904","15.663","0.003","8.2891","0.0017","21.056","0.004","90","","90","","90","","2733.7","0.9","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H20 N2 O2 -","- C14 H20 N2 O2 -","- C112 H160 N16 O16 -","8","1","","Li, Guang; Zhang, Xun; Li, Qi; Feng, Pengju; Shi, Yian","A concise approach to the spiroiminal fragment of marineosins.","Organic & biomolecular chemistry","2013","11","18","2936","2938","10.1039/c3ob40208h","","","0.71073","MoKα","","0.0889","0.0731","","","0.123","0.1285","","","","","","1.245","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152905","10.6173","0.0007","9.222","0.0006","10.9711","0.0007","90","","115.165","0.002","90","","972.25","0.11","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 Cl N O4 -","- C22 H22 Cl N O4 -","- C44 H44 Cl2 N2 O8 -","2","1","","Ray, Sumit K.; Rout, Subhrajit; Singh, Vinod K.","Enantioselective synthesis of 3,4-dihydropyran derivatives via a Michael addition reaction catalysed by chiral pybox-diph-Zn(ii) complex.","Organic & biomolecular chemistry","2013","11","15","2412","2416","10.1039/c3ob40246k","","","0.71073","MoKα","","0.0471","0.0373","","","0.0757","0.0791","","","","","","1.054","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152906","10.1531","0.0009","9.1685","0.0007","11.3968","0.0009","90","","110.669","0.002","90","","992.63","0.14","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 Br N O4 -","- C22 H22 Br N O4 -","- C44 H44 Br2 N2 O8 -","2","1","","Ray, Sumit K.; Rout, Subhrajit; Singh, Vinod K.","Enantioselective synthesis of 3,4-dihydropyran derivatives via a Michael addition reaction catalysed by chiral pybox-diph-Zn(ii) complex.","Organic & biomolecular chemistry","2013","11","15","2412","2416","10.1039/c3ob40246k","","","0.71073","MoKα","","0.0937","0.0521","","","0.0676","0.0769","","","","","","0.936","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152907","21.3378","0.0019","11.5579","0.001","10.3203","0.0009","90","","100.329","0.008","90","","2503.9","0.4","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-Butyl 2,2'-(6-nitro-6-phenyl-1,4-diazepane-1,4-diyl)diacetate","","- C23 H35 N3 O6 -","- C23 H35 N3 O6 -","- C92 H140 N12 O24 -","4","1","","Parker, David; Waldron, Bradley P.","Conformational analysis and synthetic approaches to polydentate perhydro-diazepine ligands for the complexation of gallium(iii).","Organic & biomolecular chemistry","2013","11","17","2827","2838","10.1039/c3ob40287h","","","0.7107","MoKα","Mo","0.2327","0.0899","","","0.1741","0.2425","","","","","","0.944","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152908","5.7906","0.0007","9.5843","0.0011","20.978","0.002","81.025","0.01","87.158","0.01","85.46","0.01","1145.6","0.2","120","","120","","","","","","","","","4","P -1","-P 1","2","","tert-Butyl 2,2'-(6-hydroxy-6-phenyl-1,4-diazepane-1,4-diyl)diacetate","","- C23 H36 N2 O5 -","- C23 H36 N2 O5 -","- C46 H72 N4 O10 -","2","1","","Parker, David; Waldron, Bradley P.","Conformational analysis and synthetic approaches to polydentate perhydro-diazepine ligands for the complexation of gallium(iii).","Organic & biomolecular chemistry","2013","11","17","2827","2838","10.1039/c3ob40287h","","x-ray","0.71073","MoKα","K-L~3~","0.1141","0.0563","","","0.1154","0.1365","","","","","","0.994","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152909","8.6179","0.0003","7.0392","0.0003","30.2576","0.001","90","","91.859","0.003","90","","1834.55","0.12","130","0.2","130","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C88 H96 O24 -","8","2","","Harris, Benjamin; Savage, G. Paul; White, Jonathan M.","Hyperconjugation involving strained carbon-carbon bonds. Application of the variable oxygen probe to ester and ether derivatives of cubylmethanol.","Organic & biomolecular chemistry","2013","11","19","3151","3158","10.1039/c3ob40288f","","","1.5418","CuKα","","0.0523","0.0444","","","0.1315","0.1491","","","","","","1.118","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152910","6.9852","0.001","10.5113","0.0015","10.8498","0.0011","68.415","0.011","78.65","0.01","80.137","0.012","721.99","0.17","130","","130","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O5 -","- C17 H15 N O5 -","- C34 H30 N2 O10 -","2","1","","Harris, Benjamin; Savage, G. Paul; White, Jonathan M.","Hyperconjugation involving strained carbon-carbon bonds. Application of the variable oxygen probe to ester and ether derivatives of cubylmethanol.","Organic & biomolecular chemistry","2013","11","19","3151","3158","10.1039/c3ob40288f","","","0.7107","MoKα","","0.0519","0.0425","","","0.108","0.1167","","","","","","1.071","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152911","8.126","0.0006","8.7446","0.0005","12.5714","0.0007","89.867","0.005","76.801","0.005","62.719","0.007","767.54","0.1","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N O6 -","- C18 H15 N O6 -","- C36 H30 N2 O12 -","2","1","","Harris, Benjamin; Savage, G. Paul; White, Jonathan M.","Hyperconjugation involving strained carbon-carbon bonds. Application of the variable oxygen probe to ester and ether derivatives of cubylmethanol.","Organic & biomolecular chemistry","2013","11","19","3151","3158","10.1039/c3ob40288f","","","1.5418","CuKα","","0.0462","0.0431","","","0.1169","0.1196","","","","","","1.018","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152912","7.5474","0.0004","8.41","0.0005","13.9152","0.0008","102.757","0.005","90.682","0.004","115.31","0.005","773.07","0.09","130","","130","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N O6 -","- C18 H15 N O6 -","- C36 H30 N2 O12 -","2","1","","Harris, Benjamin; Savage, G. Paul; White, Jonathan M.","Hyperconjugation involving strained carbon-carbon bonds. Application of the variable oxygen probe to ester and ether derivatives of cubylmethanol.","Organic & biomolecular chemistry","2013","11","19","3151","3158","10.1039/c3ob40288f","","","0.7107","MoKα","","0.0564","0.0426","","","0.0982","0.1093","","","","","","1.053","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152913","5.7385","0.0004","10.3221","0.0007","13.5698","0.0009","111.374","0.006","92.266","0.005","102.902","0.006","723.1","0.09","130","0.2","130","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 Cl3 O4 -","- C13 H11 Cl3 O4 -","- C26 H22 Cl6 O8 -","2","1","","Harris, Benjamin; Savage, G. Paul; White, Jonathan M.","Hyperconjugation involving strained carbon-carbon bonds. Application of the variable oxygen probe to ester and ether derivatives of cubylmethanol.","Organic & biomolecular chemistry","2013","11","19","3151","3158","10.1039/c3ob40288f","","","1.5418","CuKα","","0.0578","0.0522","","","0.1436","0.1479","","","","","","1.079","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152914","5.8663","0.0003","8.9585","0.0006","12.2036","0.0007","95.715","0.005","103.005","0.005","104.096","0.005","597.93","0.07","130","","130","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 O5 S -","- C12 H14 O5 S -","- C24 H28 O10 S2 -","2","1","","Harris, Benjamin; Savage, G. Paul; White, Jonathan M.","Hyperconjugation involving strained carbon-carbon bonds. Application of the variable oxygen probe to ester and ether derivatives of cubylmethanol.","Organic & biomolecular chemistry","2013","11","19","3151","3158","10.1039/c3ob40288f","","","0.7107","MoKα","","0.0447","0.0372","","","0.0897","0.0957","","","","","","1.056","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152915","7.3222","0.0002","8.3972","0.0003","13.2244","0.0004","90","","92.244","0.003","90","","812.49","0.04","130","","130","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H15 N O7 S -","- C17 H15 N O7 S -","- C34 H30 N2 O14 S2 -","2","1","","Harris, Benjamin; Savage, G. Paul; White, Jonathan M.","Hyperconjugation involving strained carbon-carbon bonds. Application of the variable oxygen probe to ester and ether derivatives of cubylmethanol.","Organic & biomolecular chemistry","2013","11","19","3151","3158","10.1039/c3ob40288f","","","0.7107","MoKα","","0.0428","0.0375","","","0.0894","0.0936","","","","","","1.004","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152916","9.992","0.002","10.278","0.002","17.851","0.004","90","","90","","90","","1833.3","0.7","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N2 O7 P -","- C15 H23 N2 O7 P -","- C60 H92 N8 O28 P4 -","4","1","","Fan, Weidong; Kong, Shasha; Cai, Yan; Wu, Guiping; Miao, Zhiwei","Diastereo- and enantioselective nitro-Mannich reaction of α-substituted nitroacetates to N-phosphoryl imines catalyzed by cinchona alkaloid thiourea organocatalysts.","Organic & biomolecular chemistry","2013","11","19","3223","3229","10.1039/c3ob40335a","","","0.71073","MoKα","","0.0341","0.0285","","","0.065","0.0668","","","","","","1.014","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152917","9.885","0.0008","14.8989","0.0013","16.7201","0.0015","105.671","0.001","104.415","0.001","106.917","0.002","2120.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H16 N2 O2 S -","- C27 H16 N2 O2 S -","- C108 H64 N8 O8 S4 -","4","2","","Li, Ying; Fan, Wei; Xu, Hai-Wei; Jiang, Bo; Wang, Shu-Liang; Tu, Shu-Jiang","A novel three-component [5 + 1] heterocyclization leading to 2-azafluorenone synthesis and its polyfunctionalizations.","Organic & biomolecular chemistry","2013","11","15","2417","2420","10.1039/c3ob40371h","","","0.71073","MoKα","","0.151","0.0741","","","0.1714","0.2008","","","","","","1.028","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152918","12.174","0.006","6.293","0.003","12.398","0.006","90","","98.901","0.014","90","","938.4","0.8","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C44 H44 O8 -","2","1","","Leckie, Stuart M.; Brown, T. Bruce; Pryde, David; Lebl, Tomas; Slawin, Alexandra M. Z.; Smith, Andrew D.","NHC-mediated enantioselective formal [4 + 2] cycloadditions of alkylarylketenes and β,γ-unsaturated α-ketocarboxylic esters and amides.","Organic & biomolecular chemistry","2013","11","19","3230","3246","10.1039/c3ob40424b","","","1.54187","CuKα","","","0.0498","","","","0.1347","","","","","","1.065","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152919","5.827","0.0009","9.2591","0.0014","8.8013","0.0013","90","","90.3","0.003","90","","474.85","0.12","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C5 H12 Cl F2 N O3 -","- C5 H12 Cl F2 N O3 -","- C10 H24 Cl2 F4 N2 O6 -","2","0.5","","Pike, Sarah J.; De Poli, Matteo; Zawodny, Wojciech; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Diastereotopic fluorine substituents as (19)F NMR probes of screw-sense preference in helical foldamers.","Organic & biomolecular chemistry","2013","11","19","3168","3176","10.1039/c3ob40463c","","","0.71073","MoKα","","0.0436","0.0356","","","0.0748","0.0774","","","","","","0.98","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152920","31.8762","0.0015","11.7398","0.0006","16.4074","0.0008","90","","116.395","0.002","90","","5499.9","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H67 Cl3 F4 N10 O12 -","- C43 H67 Cl3 F4 N10 O12 -","- C172 H268 Cl12 F16 N40 O48 -","4","0.5","","Pike, Sarah J.; De Poli, Matteo; Zawodny, Wojciech; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Diastereotopic fluorine substituents as (19)F NMR probes of screw-sense preference in helical foldamers.","Organic & biomolecular chemistry","2013","11","19","3168","3176","10.1039/c3ob40463c","","","1.54178","CuKα","","0.0543","0.0521","","","0.1348","0.137","","","","","","1.049","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152921","13.0719","0.0016","11.4964","0.0014","15.273","0.002","90","","102.562","0.003","90","","2240.3","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C47 H58 N6 O8 -","- C47 H58 N6 O8 -","- C94 H116 N12 O16 -","2","1","","Pike, Sarah J.; De Poli, Matteo; Zawodny, Wojciech; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Diastereotopic fluorine substituents as (19)F NMR probes of screw-sense preference in helical foldamers.","Organic & biomolecular chemistry","2013","11","19","3168","3176","10.1039/c3ob40463c","","","0.71073","MoKα","","0.1104","0.0491","","","0.0609","0.0763","","","","","","0.691","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152922","9.014","0.0005","10.7721","0.0005","11.3234","0.0007","90","","101.481","0.006","90","","1077.5","0.11","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","","Muir, Calum W.; Kennedy, Alan R.; Redmond, Joanna M.; Watson, Allan J. B.","Synthesis of functionalised 4H-quinolizin-4-ones via tandem Horner-Wadsworth-Emmons olefination/cyclisation.","Organic & biomolecular chemistry","2013","11","20","3337","3340","10.1039/c3ob40578h","","","0.71073","MoKα","","0.0769","0.0475","","","0.0937","0.1061","","","","","","1.041","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152923","16.8344","0.0014","12.0895","0.0007","19.8772","0.0013","90","","117.868","0.005","90","","3576.2","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C156 H180 N12 O24 -","12","3","","Jones, Roderick C.; Herasymchuk, Khrystyna; Mahdi, Tayseer; Petrov, Anna; Resanović, Sanja; Vaughan, Douglas G.; Lough, Alan J.; Quail, J. Wilson; Koivisto, Bryan D.; Wylie, R. Stephen; Gossage, Robert A.","Tautomerism and metal complexation of 2-acylmethyl-2-oxazolines: a combined synthetic, spectroscopic, crystallographic and theoretical treatment.","Organic & biomolecular chemistry","2013","11","21","3484","3493","10.1039/c3ob25867j","","","0.71073","MoKα","","0.081","0.0588","","","0.1459","0.1605","","","","","","1.031","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152924","12.1245","0.0003","14.0624","0.0003","16.2235","0.0004","83.164","0.002","73.727","0.002","69.797","0.002","2491.16","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C104 H112 N16 O32 -","8","4","","Jones, Roderick C.; Herasymchuk, Khrystyna; Mahdi, Tayseer; Petrov, Anna; Resanović, Sanja; Vaughan, Douglas G.; Lough, Alan J.; Quail, J. Wilson; Koivisto, Bryan D.; Wylie, R. Stephen; Gossage, Robert A.","Tautomerism and metal complexation of 2-acylmethyl-2-oxazolines: a combined synthetic, spectroscopic, crystallographic and theoretical treatment.","Organic & biomolecular chemistry","2013","11","21","3484","3493","10.1039/c3ob25867j","","","0.71073","MoKα","","0.1043","0.0558","","","0.1256","0.151","","","","","","1.017","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152925","9.7809","0.0003","11.4606","0.0004","20.8757","0.0007","90","","90","","90","","2340.06","0.13","150","1","150","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C11 H19 N O2 -","- C11 H19 N O2 -","- C88 H152 N8 O16 -","8","1","","Jones, Roderick C.; Herasymchuk, Khrystyna; Mahdi, Tayseer; Petrov, Anna; Resanović, Sanja; Vaughan, Douglas G.; Lough, Alan J.; Quail, J. Wilson; Koivisto, Bryan D.; Wylie, R. Stephen; Gossage, Robert A.","Tautomerism and metal complexation of 2-acylmethyl-2-oxazolines: a combined synthetic, spectroscopic, crystallographic and theoretical treatment.","Organic & biomolecular chemistry","2013","11","21","3484","3493","10.1039/c3ob25867j","","","0.71073","MoKα","","0.1395","0.0691","","","0.1759","0.2306","","","","","","1.018","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152926","8.034","0.0004","9.1042","0.0005","11.2816","0.0007","70.084","0.003","70.43","0.003","80.387","0.004","729.7","0.07","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H17 N O6 S -","- C13 H17 N O6 S -","- C26 H34 N2 O12 S2 -","2","1","","Jones, Roderick C.; Herasymchuk, Khrystyna; Mahdi, Tayseer; Petrov, Anna; Resanović, Sanja; Vaughan, Douglas G.; Lough, Alan J.; Quail, J. Wilson; Koivisto, Bryan D.; Wylie, R. Stephen; Gossage, Robert A.","Tautomerism and metal complexation of 2-acylmethyl-2-oxazolines: a combined synthetic, spectroscopic, crystallographic and theoretical treatment.","Organic & biomolecular chemistry","2013","11","21","3484","3493","10.1039/c3ob25867j","","","0.71073","MoKα","","0.106","0.058","","","0.1347","0.167","","","","","","1.052","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152927","27.07","0.004","5.0325","0.0004","10.36","0.0014","90","","103.134","0.004","90","","1374.4","0.3","150","1","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Jones, Roderick C.; Herasymchuk, Khrystyna; Mahdi, Tayseer; Petrov, Anna; Resanović, Sanja; Vaughan, Douglas G.; Lough, Alan J.; Quail, J. Wilson; Koivisto, Bryan D.; Wylie, R. Stephen; Gossage, Robert A.","Tautomerism and metal complexation of 2-acylmethyl-2-oxazolines: a combined synthetic, spectroscopic, crystallographic and theoretical treatment.","Organic & biomolecular chemistry","2013","11","21","3484","3493","10.1039/c3ob25867j","","","0.71073","MoKα","","0.0837","0.0499","","","0.1088","0.1259","","","","","","1.033","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152928","12.8657","0.0004","13.402","0.0005","14.1823","0.0003","90","","100.672","0.0019","90","","2403.1","0.13","150","1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cu N2 O4 -","- C26 H28 Cu N2 O4 -","- C104 H112 Cu4 N8 O16 -","4","1","","Jones, Roderick C.; Herasymchuk, Khrystyna; Mahdi, Tayseer; Petrov, Anna; Resanović, Sanja; Vaughan, Douglas G.; Lough, Alan J.; Quail, J. Wilson; Koivisto, Bryan D.; Wylie, R. Stephen; Gossage, Robert A.","Tautomerism and metal complexation of 2-acylmethyl-2-oxazolines: a combined synthetic, spectroscopic, crystallographic and theoretical treatment.","Organic & biomolecular chemistry","2013","11","21","3484","3493","10.1039/c3ob25867j","","","0.71073","MoKα","","0.0767","0.042","","","0.0892","0.1036","","","","","","1.048","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152929","9.4026","0.0002","32.1434","0.0007","9.1405","0.0002","90","","110.9","0.001","90","","2580.78","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 N3 O10 -","- C29 H25 N3 O10 -","- C116 H100 N12 O40 -","4","1","","Lee, Hogyu; Kim, Jun Hee; Lee, Won Koo; Cho, Jaeheung; Nam, Wonwoo; Lee, Jaedeok; Ha, Hyun-Joon","Highly stereoselective directed reactions and an efficient synthesis of azafuranoses from a chiral aziridine.","Organic & biomolecular chemistry","2013","11","22","3629","3634","10.1039/c3ob27390c","","","0.71073","MoKα","","0.0427","0.0357","","","0.0912","0.0964","","","","","","1.014","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152930","11.016","0.003","6.7826","0.0018","21.878","0.006","90","","101.024","0.004","90","","1604.5","0.8","150","2","150","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C43 H30 N4 O2 -","- C43 H30 N4 O2 -","- C86 H60 N8 O4 -","2","0.5","","Akhigbe, Joshua; Haskoor, John; Krause, Jeanette A.; Zeller, Matthias; Brückner, Christian","Formation, structure, and reactivity of meso-tetraaryl-chlorolactones, -porpholactams, and -chlorolactams, porphyrin and chlorin analogues incorporating oxazolone or imidazolone moieties.","Organic & biomolecular chemistry","2013","11","22","3616","3628","10.1039/c3ob40138c","","","0.8856","synchrotron","","0.0729","0.0446","","","0.1028","0.1149","","","","","","1.033","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152931","12.801","0.004","12.814","0.004","14.782","0.005","81.419","0.005","75.271","0.005","84.415","0.005","2314.3","1.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H38 F12 N6 O3 -","- C51 H38 F12 N6 O3 -","- C102 H76 F24 N12 O6 -","2","1","","Akhigbe, Joshua; Haskoor, John; Krause, Jeanette A.; Zeller, Matthias; Brückner, Christian","Formation, structure, and reactivity of meso-tetraaryl-chlorolactones, -porpholactams, and -chlorolactams, porphyrin and chlorin analogues incorporating oxazolone or imidazolone moieties.","Organic & biomolecular chemistry","2013","11","22","3616","3628","10.1039/c3ob40138c","","","0.71073","MoKα","","0.1336","0.0693","","","0.1809","0.213","","","","","","1.024","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152932","12.6859","0.0012","12.9511","0.0012","14.5378","0.0013","81.726","0.001","76.306","0.002","84.185","0.001","2290.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H40 F12 N6 O3 -","- C51 H40 F12 N6 O3 -","- C102 H80 F24 N12 O6 -","2","1","","Akhigbe, Joshua; Haskoor, John; Krause, Jeanette A.; Zeller, Matthias; Brückner, Christian","Formation, structure, and reactivity of meso-tetraaryl-chlorolactones, -porpholactams, and -chlorolactams, porphyrin and chlorin analogues incorporating oxazolone or imidazolone moieties.","Organic & biomolecular chemistry","2013","11","22","3616","3628","10.1039/c3ob40138c","","","0.71073","MoKα","","0.0979","0.0674","","","0.1846","0.2038","","","","","","1.051","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152933","14.44","0.004","16.901","0.005","14.82","0.004","90","","117.629","0.004","90","","3204.4","1.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H28 Cl N5 -","- C42.9985 H27.998 Cl1.0005 N5.0005 -","- C171.994 H111.992 Cl4.002 N20.002 -","4","1","","Akhigbe, Joshua; Haskoor, John; Krause, Jeanette A.; Zeller, Matthias; Brückner, Christian","Formation, structure, and reactivity of meso-tetraaryl-chlorolactones, -porpholactams, and -chlorolactams, porphyrin and chlorin analogues incorporating oxazolone or imidazolone moieties.","Organic & biomolecular chemistry","2013","11","22","3616","3628","10.1039/c3ob40138c","","","0.71073","MoKα","","0.1966","0.0733","","","0.1599","0.2002","","","","","","0.984","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152934","9.9199","0.0012","9.5808","0.0011","18.108","0.002","90","","105.506","0.003","90","","1658.4","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","","Kaschel, Johannes; Schneider, Tobias F.; Kratzert, Daniel; Stalke, Dietmar; Werz, Daniel B.","Symmetric and unsymmetric 3,3'-linked bispyrroles via ring-enlargement reactions of furan-derived donor-acceptor cyclopropanes.","Organic & biomolecular chemistry","2013","11","21","3494","3509","10.1039/c3ob40228b","","","0.71073","MoKα","","0.0643","0.0517","","","0.1384","0.147","","","","","","1.094","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152935","17.313","0.003","12.727","0.002","8.9581","0.0015","90","","93.106","0.008","90","","1971","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 N O2 -","- C26 H21 N O2 -","- C104 H84 N4 O8 -","4","0.5","","Kaschel, Johannes; Schneider, Tobias F.; Kratzert, Daniel; Stalke, Dietmar; Werz, Daniel B.","Symmetric and unsymmetric 3,3'-linked bispyrroles via ring-enlargement reactions of furan-derived donor-acceptor cyclopropanes.","Organic & biomolecular chemistry","2013","11","21","3494","3509","10.1039/c3ob40228b","","","1.54178","CuKα","","0.0326","0.0297","","","0.0761","0.079","","","","","","1.074","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152936","15.4853","0.0008","23.2543","0.001","27.7178","0.001","90","","90","","90","","9981.2","0.8","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C70.5 H130 O42 -","- C70.5 H130 O42 -","- C282 H520 O168 -","4","1","","Jouffroy, Matthieu; Armspach, Dominique; Matt, Dominique; Toupet, Loïc","Regioselective di- and tetra-functionalisation of γ-cyclodextrin using capping methodology.","Organic & biomolecular chemistry","2013","11","22","3699","3705","10.1039/c3ob40234g","","","0.71073","MoKα","","0.2359","0.07","","","0.1668","0.2129","","","","","","0.691","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152937","10.8452","0.0019","20.44","0.003","8.5123","0.0018","90","","106.969","0.015","90","","1804.8","0.6","213.1","","213","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H20 Cl2 N4 O -","- C16 H20 Cl2 N4 O -","- C64 H80 Cl8 N16 O4 -","4","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0509","","","","0.1532","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152938","9.3274","0.0013","21.826","0.003","7.1188","0.0009","90","","94.249","0.011","90","","1445.3","0.3","213.1","","213","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Br2 N4 -","- C14 H14 Br2 N4 -","- C56 H56 Br8 N16 -","4","0.5","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0367","","","","0.0997","","","","","","1.108","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152939","22.853","0.005","7.5764","0.0014","10.434","0.002","90","","96.625","0.017","90","","1794.5","0.6","213.1","","213","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Cl2 N4 O2 -","- C16 H18 Cl2 N4 O2 -","- C64 H72 Cl8 N16 O8 -","4","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0423","","","","0.1547","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152940","11.677","0.003","11.8984","0.0014","9.9909","0.0012","103.393","0.009","108.395","0.012","89.725","0.013","1277.9","0.4","213.1","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 N4 O8 -","- C24 H24 N4 O8 -","- C48 H48 N8 O16 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0631","","","","0.2094","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152941","11.4606","0.0007","12.5728","0.0012","10.4779","0.0008","108.785","0.006","102.511","0.006","63.7","0.006","1276.53","0.19","213.1","","213","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 F4 N4 O7 -","- C24 H20 F4 N4 O7 -","- C48 H40 F8 N8 O14 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0527","","","","0.1536","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152942","11.197","0.005","11.525","0.006","10.753","0.005","116.02","0.03","90.97","0.03","73.52","0.04","1186.4","1.1","213.1","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N4 O9 -","- C22 H18 N4 O9 -","- C44 H36 N8 O18 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0913","","","","0.3154","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152943","11.6126","0.0014","12.017","0.002","10.144","0.002","108.959","0.014","94.679","0.015","114.816","0.011","1175.4","0.4","213.1","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 N4 O8 -","- C24 H20 N4 O8 -","- C48 H40 N8 O16 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0758","","","","0.2518","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152944","11.48","0.005","11.934","0.005","10.976","0.004","109.92","0.03","102.6","0.03","111.76","0.03","1206.5","1.1","213.1","","213","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 F4 N4 O6 -","- C24 H16 F4 N4 O6 -","- C48 H32 F8 N8 O12 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0566","","","","0.192","","","","","","1.055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152945","11.5243","0.0013","11.7284","0.0016","10.081","0.0014","108.915","0.011","105.206","0.01","105.742","0.01","1145.2","0.3","213.1","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N4 O6 -","- C22 H28 N4 O6 -","- C44 H56 N8 O12 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0423","","","","0.1569","","","","","","1.186","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152946","12.054","0.003","12.563","0.004","9.714","0.003","105.63","0.02","109.56","0.02","102.83","0.02","1253.4","0.7","213.1","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H32 N4 O6 -","- C24 H28 N4 O6 -","- C48 H56 N8 O12 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0771","","","","0.2256","","","","","","1.071","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152947","9.7411","0.0015","16.079","0.003","7.9526","0.0019","98.725","0.016","103.439","0.015","79.976","0.012","1184.9","0.4","213.1","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 N4 O4 -","- C26 H32 N4 O4 -","- C52 H64 N8 O8 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0439","","","","0.1458","","","","","","0.929","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152948","9.229","0.0018","11.142","0.002","12.526","0.003","76.53","0.03","80.97","0.03","86.17","0.03","1236.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3-bromo-N-(2-(3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl)-4 -chloro-6-methylphenyl)-1-(3-chloropyridin-2-yl)-1H-pyrazole -5-carboxamide","","- C24 H14 Br2 Cl2 N6 O2 -","- C24 H14 Br2 Cl2 N6 O2 -","- C48 H28 Br4 Cl4 N12 O4 -","2","1","","Li, Yuhao; Zhu, Hongjun; Chen, Kai; Liu, Rui; Khallaf, Abdalla; Zhang, Xiangning; Ni, Jueping","Synthesis, insecticidal activity, and structure-activity relationship (SAR) of anthranilic diamides analogs containing oxadiazole rings.","Organic & biomolecular chemistry","2013","11","24","3979","3988","10.1039/c3ob40345a","","","0.71073","MoKα","","0.1293","0.0657","","","0.149","0.1713","","","","","","1.001","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152949","5.7198","0.0015","9.0209","0.0019","11.863","0.003","79.85","0.019","78.78","0.02","87.139","0.019","590.9","0.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 O2 S4 -","- C26 H28 O2 S4 -","- C26 H28 O2 S4 -","1","0.5","","Evans, Nicholas R.; White, Andrew J. P.","(E)-5,5'-Di(thiophen-2-yl)-3,3'-bi[thiophen-3(2H)-ylidene]-2,2'-diones-from conspicuous blue impurities to ""quasi-metallic"" golden-bronze crystals.","Organic & biomolecular chemistry","2013","11","23","3871","3879","10.1039/c3ob40373d","","","1.54184","CuKα","","0.0775","0.0689","","","0.1966","0.2082","","","","","","1.074","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152950","6.3559","0.0004","8.6356","0.0003","11.6399","0.0006","78.832","0.004","77.408","0.005","87.543","0.004","611.71","0.06","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 O2 S6 -","- C24 H24 O2 S6 -","- C24 H24 O2 S6 -","1","0.5","","Evans, Nicholas R.; White, Andrew J. P.","(E)-5,5'-Di(thiophen-2-yl)-3,3'-bi[thiophen-3(2H)-ylidene]-2,2'-diones-from conspicuous blue impurities to ""quasi-metallic"" golden-bronze crystals.","Organic & biomolecular chemistry","2013","11","23","3871","3879","10.1039/c3ob40373d","","","1.54184","CuKα","","0.0349","0.0306","","","0.0779","0.0801","","","","","","1.056","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152951","14.0891","0.0006","12.3368","0.0005","14.0775","0.0006","90","","117.268","0.001","90","","2174.96","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N4 O4 -","- C22 H30 N4 O4 -","- C88 H120 N16 O16 -","4","1","","Ramanathan, Mani; Tan, Chun-Jui; Chang, Wen-Jung; Tsai, Hui-Hsu Gavin; Hou, Duen-Ren","Synthesis of the decalin core of codinaeopsin via an intramolecular Diels-Alder reaction.","Organic & biomolecular chemistry","2013","11","23","3846","3854","10.1039/c3ob40480c","","","0.71073","MoKα","","0.0978","0.0482","","","0.1188","0.1413","","","","","","1.026","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152952","10.3528","0.0004","10.3325","0.0003","18.7803","0.0007","90","","90","","90","","2008.93","0.12","123","1","123","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H29 N3 O3 -","- C21 H29 N3 O3 -","- C84 H116 N12 O12 -","4","1","","Sinha, Mantosh K.; Khoury, Kareem; Herdtweck, Eberhardt; Dömling, Alexander","Various cyclization scaffolds by a truly Ugi 4-CR.","Organic & biomolecular chemistry","2013","11","29","4792","4796","10.1039/c3ob40523k","","","0.71073","MoKα","","0.0259","0.0242","","","0.0609","0.0624","","","","","","1.064","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152953","6.8229","0.0001","19.0016","0.0003","8.4335","0.0001","90","","92.391","0.0007","90","","1092.42","0.03","123","1","123","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H28 N4 O2 -","- C26 H28 N4 O2 -","- C52 H56 N8 O4 -","2","1","","Sinha, Mantosh K.; Khoury, Kareem; Herdtweck, Eberhardt; Dömling, Alexander","Various cyclization scaffolds by a truly Ugi 4-CR.","Organic & biomolecular chemistry","2013","11","29","4792","4796","10.1039/c3ob40523k","","","0.71073","MoKα","","0.0239","0.0236","","","0.0604","0.0606","","","","","","1.043","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152954","7.9993","0.0002","12.1497","0.0002","21.7198","0.0004","90","","90","","90","","2110.93","0.07","123","1","123","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 N3 O2 -","- C25 H29 N3 O2 -","- C100 H116 N12 O8 -","4","1","","Sinha, Mantosh K.; Khoury, Kareem; Herdtweck, Eberhardt; Dömling, Alexander","Various cyclization scaffolds by a truly Ugi 4-CR.","Organic & biomolecular chemistry","2013","11","29","4792","4796","10.1039/c3ob40523k","","","0.71073","MoKα","","0.0238","0.0235","","","0.0577","0.0581","","","","","","1.064","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152955","22.3036","0.0006","15.0552","0.0005","31.5788","0.0009","90","","132.268","0.002","90","","7846.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H54 F6 N O9 P -","- C34 H54 F6 N O9 P -","- C272 H432 F48 N8 O72 P8 -","8","2","","Zheng, Bo; Zhang, Mingming; Yan, Xuzhou; Huang, Feihe","Threaded structures based on the benzo-21-crown-7/secondary ammonium salt recognition motif using esters as end groups.","Organic & biomolecular chemistry","2013","11","23","3880","3885","10.1039/c3ob40577j","","","0.71073","MoKα","","0.1306","0.0896","","","0.2622","0.3046","","","","","","1.053","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152956","12.7822","0.0007","15.427","0.0008","19.5317","0.001","90","","91.937","0.005","90","","3849.3","0.4","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H56 F6 N O9 P -","- C35 H56 F6 N O9 P -","- C140 H224 F24 N4 O36 P4 -","4","1","","Zheng, Bo; Zhang, Mingming; Yan, Xuzhou; Huang, Feihe","Threaded structures based on the benzo-21-crown-7/secondary ammonium salt recognition motif using esters as end groups.","Organic & biomolecular chemistry","2013","11","23","3880","3885","10.1039/c3ob40577j","","","0.71073","MoKα","","0.0818","0.0542","","","0.133","0.1525","","","","","","1.037","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152957","12.9587","0.0008","15.3868","0.0009","19.5493","0.0012","90","","92.997","0.006","90","","3892.7","0.4","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 F6 N O9 P -","- C36 H58 F6 N O9 P -","- C144 H232 F24 N4 O36 P4 -","4","1","","Zheng, Bo; Zhang, Mingming; Yan, Xuzhou; Huang, Feihe","Threaded structures based on the benzo-21-crown-7/secondary ammonium salt recognition motif using esters as end groups.","Organic & biomolecular chemistry","2013","11","23","3880","3885","10.1039/c3ob40577j","","","0.71073","MoKα","","0.0698","0.0442","","","0.099","0.1134","","","","","","1.026","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152958","9.3855","0.0006","21.1336","0.0013","20.3716","0.0013","90","","96.47","0.005","90","","4015","0.4","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 F6 N O9 P -","- C36 H58 F6 N O9 P -","- C144 H232 F24 N4 O36 P4 -","4","1","","Zheng, Bo; Zhang, Mingming; Yan, Xuzhou; Huang, Feihe","Threaded structures based on the benzo-21-crown-7/secondary ammonium salt recognition motif using esters as end groups.","Organic & biomolecular chemistry","2013","11","23","3880","3885","10.1039/c3ob40577j","","","0.71073","MoKα","","0.1074","0.0694","","","0.1663","0.1922","","","","","","1.033","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152959","8.7222","0.0003","9.0436","0.0003","28.4643","0.001","91.015","0.002","92.972","0.002","90.897","0.002","2241.59","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H41 F12 N9 O2 P2 Ru -","- C42 H41 F12 N9 O2 P2 Ru -","- C84 H82 F24 N18 O4 P4 Ru2 -","2","1","","Hvasanov, David; Mason, Alexander F.; Goldstein, Daniel C.; Bhadbhade, Mohan; Thordarson, Pall","Optimising the synthesis, polymer membrane encapsulation and photoreduction performance of Ru(ii)- and Ir(iii)-bis(terpyridine) cytochrome c bioconjugates.","Organic & biomolecular chemistry","2013","11","28","4602","4612","10.1039/c3ob40620b","","","0.71073","MoKα","","0.0671","0.0414","","","0.1051","0.1253","","","","","","0.83","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152960","8.633","0.0017","15.459","0.003","41.642","0.008","90","","93.22","0.03","90","","5548.7","1.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H54 F12 N10 O6 P2 Ru -","- C52 H54 F12 N10 O6 P2 Ru -","- C208 H216 F48 N40 O24 P8 Ru4 -","4","1","","Hvasanov, David; Mason, Alexander F.; Goldstein, Daniel C.; Bhadbhade, Mohan; Thordarson, Pall","Optimising the synthesis, polymer membrane encapsulation and photoreduction performance of Ru(ii)- and Ir(iii)-bis(terpyridine) cytochrome c bioconjugates.","Organic & biomolecular chemistry","2013","11","28","4602","4612","10.1039/c3ob40620b","","","0.71073","Synchrotron","","0.0684","0.0591","","","0.1386","0.1438","","","","","","1.16","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152961","6.4489","0.0002","9.7481","0.0003","36.086","0.001","90","","90","","90","","2268.53","0.12","150","2","150","2","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C20 H26.5 F3 N3 O5.25 -","- C20 H26.5 F3 N3 O5.25 -","- C80 H106 F12 N12 O21 -","4","1","","Chaubet, Guilhem; Coursindel, Thibault; Morelli, Xavier; Betzi, Stéphane; Roche, Philippe; Guari, Yannick; Lebrun, Aurélien; Toupet, Loïc; Collette, Yves; Parrot, Isabelle; Martinez, Jean","Stereoselective synthesis of original spirolactams displaying promising folded structures.","Organic & biomolecular chemistry","2013","11","28","4719","4726","10.1039/c3ob40643a","","","0.71073","MoKα","","0.0714","0.0395","","","0.0808","0.0862","","","","","","0.829","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152962","20.1602","0.0018","6.005","0.0005","17.3601","0.0015","90","","115.257","0.002","90","","1900.7","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Br F N2 O -","- C22 H16 Br F N2 O -","- C88 H64 Br4 F4 N8 O4 -","4","1","","Xu, Hai-Wei; Fan, Wei; Li, Meng-Yuan; Jiang, Bo; Wang, Shu-Liang; Tu, Shu-Jiang","A novel domino strategy for forming poly-substituted quaternary imidazoles through a Cs2CO3-promoted aryl migration process.","Organic & biomolecular chemistry","2013","11","22","3603","3607","10.1039/c3ob40666k","","","0.71073","MoKα","","0.2596","0.1458","","","0.3382","0.3922","","","","","","1.002","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152963","17.1888","0.0015","7.7634","0.0006","19.7711","0.0018","90","","107.401","0.004","90","","2517.6","0.4","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N O -","- C18 H13 N O -","- C144 H104 N8 O8 -","8","2","","Chigrinova, Mariya; McKay, Craig S.; Beaulieu, Louis-Philippe B; Udachin, Konstantin A.; Beauchemin, André M; Pezacki, John Paul","Rearrangements and addition reactions of biarylazacyclooctynones and the implications to copper-free click chemistry.","Organic & biomolecular chemistry","2013","11","21","3436","3441","10.1039/c3ob40683k","","","0.7107","MoKα","","0.0705","0.0475","","","0.137","0.1623","","","","","","1.029","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152964","5.4793","0.0018","20.849","0.007","17.361","0.006","90","","98.866","0.018","90","","1959.6","1.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O3 -","- C26 H20 N2 O3 -","- C104 H80 N8 O12 -","4","1","","Chigrinova, Mariya; McKay, Craig S.; Beaulieu, Louis-Philippe B; Udachin, Konstantin A.; Beauchemin, André M; Pezacki, John Paul","Rearrangements and addition reactions of biarylazacyclooctynones and the implications to copper-free click chemistry.","Organic & biomolecular chemistry","2013","11","21","3436","3441","10.1039/c3ob40683k","","","0.7107","MoKα","","0.2642","0.1245","","","0.2698","0.3401","","","","","","1.048","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152965","7.747","0.0005","26.153","0.0019","8.5985","0.0006","90","","108.664","0.003","90","","1650.5","0.2","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","Chigrinova, Mariya; McKay, Craig S.; Beaulieu, Louis-Philippe B; Udachin, Konstantin A.; Beauchemin, André M; Pezacki, John Paul","Rearrangements and addition reactions of biarylazacyclooctynones and the implications to copper-free click chemistry.","Organic & biomolecular chemistry","2013","11","21","3436","3441","10.1039/c3ob40683k","","","0.71073","MoKα","","0.0644","0.0429","","","0.098","0.107","","","","","","1.071","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152966","17.1588","0.0013","7.6525","0.0007","20.1851","0.0016","90","","107.382","0.003","90","","2529.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N O -","- C18 H13 N O -","- C144 H104 N8 O8 -","8","2","","Chigrinova, Mariya; McKay, Craig S.; Beaulieu, Louis-Philippe B; Udachin, Konstantin A.; Beauchemin, André M; Pezacki, John Paul","Rearrangements and addition reactions of biarylazacyclooctynones and the implications to copper-free click chemistry.","Organic & biomolecular chemistry","2013","11","21","3436","3441","10.1039/c3ob40683k","","","0.71073","MoKα","","0.0487","0.0354","","","0.0965","0.1057","","","","","","1.044","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152967","5.3111","0.0003","11.1077","0.0006","19.5383","0.0013","90","","96.676","0.006","90","","1144.83","0.12","190","","190","","","","101","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H14 Cl N O3 -","- C11 H14 Cl N O3 -","- C44 H56 Cl4 N4 O12 -","4","2","","Kubelka, Tomáš; Slavětínská, Lenka; Eigner, Václav; Hocek, Michal","Synthesis of 2,6-disubstituted pyridin-3-yl C-2'-deoxyribonucleosides through chemoselective transformations of bromo-chloropyridine C-nucleosides.","Organic & biomolecular chemistry","2013","11","28","4702","4718","10.1039/c3ob40774h","","","1.54184","CuKα","","0.0383","0.0376","","0.095","0.0923","0.095","","","","","","1.0397","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152968","10.594","0.007","12.392","0.008","13.698","0.009","90","","105.41","0.02","90","","1734","2","270","2","270","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","7,7-Di(benzofuran-2-yl)-6-oxa-bicyclo[3.2.1]octan-4-ol","","","- C23 H18 O4 -","- C23 H18 O4 -","- C92 H72 O16 -","4","1","","Dhiman, Seema; Ramasastry, S. S. V.","Taming furfuryl cations for the synthesis of privileged structures and novel scaffolds.","Organic & biomolecular chemistry","2013","11","26","4299","4303","10.1039/c3ob40814k","","","0.71073","MoKα","","0.154","0.0569","","","0.1176","0.1534","","","","","","0.933","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152969","33.5085","0.0013","6.1892","0.0002","8.0369","0.0003","90","","90","","90","","1666.78","0.1","143","2","143","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H30 O3 -","- C16 H30 O3 -","- C64 H120 O12 -","4","1","","Liao, Cang-Song; Tang, Chun-Ping; Yao, Sheng; Ye, Yang","Humulane-type sesquiterpenoids from Pilea cavaleriei subsp. crenata.","Organic & biomolecular chemistry","2013","11","29","4840","4846","10.1039/c3ob40872h","","","1.54178","CuKα","","0.0526","0.0516","","","0.1472","0.1478","","","","","","1.093","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152970","9.807","0.005","13.026","0.006","14.561","0.007","90","","96.029","0.008","90","","1849.8","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O3 S -","- C20 H23 N O3 S -","- C80 H92 N4 O12 S4 -","4","1","","Yang, Dingqiao; Xia, Jiuyun; Long, Yuhua; Zeng, Zhongyi; Zuo, Xiongjun; Wang, Sanyong; Li, Chunrong","Iridium-catalyzed asymmetric ring-opening of azabicyclic alkenes with alcohols.","Organic & biomolecular chemistry","2013","11","29","4871","4881","10.1039/c3ob40891d","","","0.71073","MoKα","","0.2585","0.0813","","","0.1339","0.158","","","","","","1.003","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152971","11.338","0.002","7.9222","0.0017","22.498","0.005","90","","94.389","0.004","90","","2014.9","0.7","100","","100","","","","","","","","dimethylsulfoxid","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 O4 S2 -","- C21 H22 N2 O4 S2 -","- C84 H88 N8 O16 S8 -","4","1","","Gulzar, Naeem; Klussmann, Martin","Aerobic C-H amination of tetrahydrocarbazole derivatives via photochemically generated hydroperoxides.","Organic & biomolecular chemistry","2013","11","27","4516","4520","10.1039/c3ob40919h","","","0.71073","Mo-Kα","","0.0513","0.0434","","","0.1124","0.1176","","","","","","1.101","","","","has coordinates","276357","2022-06-28","17:15:13",""
"7152972","10.3396","0.0003","11.1324","0.0003","18.123","0.0005","83.171","0.002","75.762","0.002","89.106","0.002","2007.42","0.1","100","","100","","","","","","","","dimethylsulfoxid","6","P -1","-P 1","2","","","","- C21 H22 Cl N3 O S -","- C21 H22 Cl N3 O S -","- C84 H88 Cl4 N12 O4 S4 -","4","2","","Gulzar, Naeem; Klussmann, Martin","Aerobic C-H amination of tetrahydrocarbazole derivatives via photochemically generated hydroperoxides.","Organic & biomolecular chemistry","2013","11","27","4516","4520","10.1039/c3ob40919h","","","1.54178","Cu-Kα","","0.0622","0.0414","","","0.0946","0.1051","","","","","","1.024","","","","has coordinates","276357","2022-06-28","17:15:13",""
"7152973","17.059","0.002","7.2199","0.0009","17.196","0.002","90","","99.489","0.002","90","","2089","0.4","100","","100","","","","","","","","dimethylsulfoxide","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N3 O S -","- C22 H27 N3 O S -","- C88 H108 N12 O4 S4 -","4","1","","Gulzar, Naeem; Klussmann, Martin","Aerobic C-H amination of tetrahydrocarbazole derivatives via photochemically generated hydroperoxides.","Organic & biomolecular chemistry","2013","11","27","4516","4520","10.1039/c3ob40919h","","","0.71073","Mo-Kα","","0.0851","0.0491","","","0.1164","0.1354","","","","","","1.011","","","","has coordinates","276357","2022-06-28","17:15:13",""
"7152974","13.886","0.0015","9.6705","0.001","15.6885","0.0016","90","","99.869","0.002","90","","2075.5","0.4","100","","100","","","","","","","","hexane,pentane,ethylacetate","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N3 O -","- C25 H23 N3 O -","- C100 H92 N12 O4 -","4","1","","Gulzar, Naeem; Klussmann, Martin","Aerobic C-H amination of tetrahydrocarbazole derivatives via photochemically generated hydroperoxides.","Organic & biomolecular chemistry","2013","11","27","4516","4520","10.1039/c3ob40919h","","","0.71073","Mo-Kα","","0.0659","0.0462","","","0.1233","0.1384","","","","","","1.028","","","","has coordinates,has disorder","276357","2022-06-28","17:15:13",""
"7152975","12.541","0.003","13.299","0.003","33.259","0.009","91.05","0.007","93.994","0.007","117.167","0.007","4915","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C94 H132 N22 O10 -","- C94 H132 N22 O10 -","- C188 H264 N44 O20 -","2","1","","Bose, Purnandhu; Dutta, Ranjan; Ghosh, Pradyut","Tris(2-aminoethyl)amine based tripodal urea receptors for oxalate: encapsulation of staggered vs. planar conformers.","Organic & biomolecular chemistry","2013","11","28","4581","4584","10.1039/c3ob41071d","","","0.71073","MoKα","","0.1143","0.0965","","","0.2751","0.2884","","","","","","1.149","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152976","13.761","0.005","14.036","0.005","25.22","0.009","90","","103.68","0.01","90","","4733","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H65 F4 N8 O5 -","- C44 H65 F4 N8 O5 -","- C176 H260 F16 N32 O20 -","4","1","","Bose, Purnandhu; Dutta, Ranjan; Ghosh, Pradyut","Tris(2-aminoethyl)amine based tripodal urea receptors for oxalate: encapsulation of staggered vs. planar conformers.","Organic & biomolecular chemistry","2013","11","28","4581","4584","10.1039/c3ob41071d","","","0.71073","MoKα","","0.1026","0.0783","","","0.2411","0.275","","","","","","1.063","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152977","8.9755","0.0009","6.9472","0.0005","9.1777","0.0009","90","","90.968","0.009","90","","572.19","0.09","170","","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H11 Br Cl N O3 -","- C10 H11 Br Cl N O3 -","- C20 H22 Br2 Cl2 N2 O6 -","2","1","","Kubelka, Tomáš; Slavětínská, Lenka; Eigner, Václav; Hocek, Michal","Synthesis of 2,6-disubstituted pyridin-3-yl C-2'-deoxyribonucleosides through chemoselective transformations of bromo-chloropyridine C-nucleosides.","Organic & biomolecular chemistry","2013","11","28","4702","4718","10.1039/c3ob40774h","","","1.54184","CuKα","","0.0375","0.0358","","0.0436","0.0423","0.0423","","","","","","1.0181","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152978","11.7359","0.0008","5.5595","0.0004","12.5993","0.0009","90","","90.641","0.002","90","","822","0.1","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 N O3 S -","- C20 H17 N O3 S -","- C40 H34 N2 O6 S2 -","2","1","","Rout, Subhrajit; Ray, Sumit K.; Singh, Vinod K.","Enantioselective Mukaiyama-Michael with 2-enoyl pyridine N-oxides catalyzed by PYBOX-DIPH-Zn(ii)-complexes at ambient temperature.","Organic & biomolecular chemistry","2013","11","27","4537","4545","10.1039/c3ob40445e","","","","","","","","","","","","","","","","","","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152979","18.7511","0.0009","23.3396","0.0011","28.1926","0.0013","90","","90","","90","","12338.3","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Leu-Phe-Val-D-Pro-Ala-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-phenylalanyl-valyl-D-prolyl -alanyl-leucyl-phenylalanyl-valyl-methyl ester","","- C54 H78 N8 O12 -","- C54 H78 N8 O12 -","- C432 H624 N64 O96 -","8","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","1.54178","CuKα","","0.2319","0.1208","","","0.2897","0.4029","","","","","","1.041","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152980","18.88","0.003","24.579","0.004","28.78","0.005","90","","90","","90","","13355","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Leu-Phe-Val-D-Pro-Ac6c-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-phenylalanyl-valyl-D-prolyl-1-amino-1-cyclohexane- 1-oyl-leucyl-phenylalanyl-valyl-methyl ester monohydrate 1,4 dioxnae solvate","","- C58 H88 N8 O12.5 -","- C58 H88 N8 O12.5 -","- C464 H704 N64 O100 -","8","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","0.71073","MoKα","","0.2345","0.1249","","","0.2262","0.2884","","","","","","0.961","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152981","14.4028","0.0008","18.9623","0.0011","25.4903","0.0017","90","","105.674","0.004","90","","6702.8","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Leu-Phe-Val-D-Pro-Pro-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-phenylalanyl-valyl-D- prolyl-prolyl-leucyl-phenylalanyl-valyl-methyl ester","","- C56 H84 N8 O11.5 -","- C56 H84 N8 O11.5 -","- C224 H336 N32 O46 -","4","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","1.54178","CuKα","","0.1599","0.0959","","","0.2251","0.2737","","","","","","0.925","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152982","9.922","0.003","11.229","0.004","26.423","0.009","87.146","0.006","89.44","0.006","73.282","0.007","2815.9","1.6","293","2","293","2","","","","","","","","4","P 1","P 1","1","Boc-Leu-Val-Val-D-Pro-Pro-Leu-Val-Val-OMe","t-Butyloxycarbonyl-leucyl-valyl-valyl-D-prolyl-prolyl-leucyl -valyl-valyl-methyl ester","","- C48 H84 N8 O11 -","- C48 H84 N8 O11 -","- C96 H168 N16 O22 -","2","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","0.71073","MoKα","","0.2671","0.1043","","","0.2187","0.2588","","","","","","0.904","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152983","18.41","0.02","23.22","0.03","19.24","0.03","90","","118.036","0.017","90","","7260","17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Leu-Phe-Val-D-Pro-Aib-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-phenylalanyl-valyl-D-prolyl-alpha -aminoisobutyryl-leucyl-phenylalanyl-valyl-methyl ester","","- C57 H88 N8 O12.5 -","- C57 H88 N8 O12.5 -","- C228 H352 N32 O50 -","4","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","0.71073","MoKα","","0.265","0.1012","","","0.2061","0.309","","","","","","0.865","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152984","18.095","0.0004","23.0316","0.0005","18.6368","0.0005","90","","117.471","0.002","90","","6891.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Leu-Phe-Val-D-Pro-Aib-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-phenylalanyl-valyl-D-prolyl-alpha -aminoisobutyryl-leucyl-phenylalanyl-valyl-methyl ester","","- C55 H84 N8 O11.5 -","- C55 H84 N8 O11.5 -","- C220 H336 N32 O46 -","4","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","1.54178","CuKα","","0.1721","0.0915","","","0.2096","0.2644","","","","","","0.985","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152985","19.086","0.004","26.216","0.005","28.015","0.006","90","","90","","90","","14018","5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Leu-Tyr-Val-D-Pro-Pro-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-tyrosinyl-valyl-D-prolyl- prolyl-leucyl-phenylalanyl-valyl-methyl ester","","- C56 H83.5 N8 O13.5 -","- C56 H83.5 N8 O13.5 -","- C448 H668 N64 O108 -","8","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","0.71073","MoKα","","0.2101","0.0989","","","0.2064","0.2713","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152986","14.3184","0.0008","18.9924","0.0009","25.1569","0.0014","90","","105.59","0.004","90","","6589.5","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Leu-Tyr-Val-D-Pro-Pro-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-tyrosinyl-valyl-D- prolyl-prolyl-leucyl-phenylalanyl-valyl-methyl ester","","- C56 H83 N8 O13.5 -","- C56 H83 N8 O13.5 -","- C224 H332 N32 O54 -","4","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","1.54178","CuKα","","0.2475","0.1249","","","0.2929","0.3664","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152987","8.6438","0.0003","7.4285","0.0002","8.7806","0.0004","90","","94.451","0.001","90","","562.11","0.04","293","2","293","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C13 H14 O5 -","- C13 H14 O5 -","- C26 H28 O10 -","2","1","","Rodier, Fabien; Parrain, Jean-Luc; Chouraqui, Gaëlle; Commeiras, Laurent","First studies directed towards the diastereoselective synthesis of the BCD tricyclic core of brownin F.","Organic & biomolecular chemistry","2013","11","25","4178","4185","10.1039/c3ob40363g","","x-ray","0.71073","MoKα","","0.0569","0.0434","","","0.1256","0.1548","","","","","","1.199","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152988","13.6639","0.0004","11.0259","0.0002","11.8705","0.0002","90","","106.134","0.001","90","","1717.94","0.07","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O7 -","- C18 H22 O7 -","- C72 H88 O28 -","4","1","","Rodier, Fabien; Parrain, Jean-Luc; Chouraqui, Gaëlle; Commeiras, Laurent","First studies directed towards the diastereoselective synthesis of the BCD tricyclic core of brownin F.","Organic & biomolecular chemistry","2013","11","25","4178","4185","10.1039/c3ob40363g","","x-ray","0.71073","MoKα","","0.1234","0.0645","","","0.17","0.2227","","","","","","1.139","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152989","6.8433","0.0018","18.424","0.005","20.221","0.005","90","","90","","90","","2549.5","1.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 N3 O4 -","- C24 H40 N3 O4 -","- C96 H160 N12 O16 -","4","1","","Frantz, Marie-Céline; Skoda, Erin M.; Sacher, Joshua R.; Epperly, Michael W.; Goff, Julie P.; Greenberger, Joel S.; Wipf, Peter","Synthesis of analogs of the radiation mitigator JP4-039 and visualization of BODIPY derivatives in mitochondria.","Organic & biomolecular chemistry","2013","11","25","4147","4153","10.1039/c3ob40489g","","","0.71073","MoKα","","0.0707","0.0484","","","0.1258","0.1371","","","","","","1.1","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152990","17.9524","0.0003","6.2046","0.0001","14.3442","0.0002","90","","109.148","0.001","90","","1509.37","0.04","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 F3 N3 O3 -","- C15 H14 F3 N3 O3 -","- C60 H56 F12 N12 O12 -","4","1","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0663","0.051","","","0.1278","0.1387","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152991","7.6951","0.0003","10.1134","0.0005","10.9054","0.0005","65.724","0.002","82.426","0.002","71.772","0.002","734.82","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 F3 N3 O3 -","- C16 H14 F3 N3 O3 -","- C32 H28 F6 N6 O6 -","2","1","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0503","0.038","","","0.1056","0.1129","","","","","","1.041","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152992","8.6849","0.0007","9.3993","0.0004","10.0441","0.0004","115.546","0.002","101.079","0.002","98.711","0.003","700.09","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Cl F2 N3 O3 -","- C15 H12 Cl F2 N3 O3 -","- C30 H24 Cl2 F4 N6 O6 -","2","1","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0487","0.0363","","","0.0995","0.1062","","","","","","1.052","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152993","12.2256","0.0008","6.8967","0.0004","12.7724","0.0008","90","","95.776","0.003","90","","1071.45","0.12","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C18 H13 Cl3 F7 N3 O3 -","- C18 H13 Cl3 F7 N3 O3 -","- C36 H26 Cl6 F14 N6 O6 -","2","0.5","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0658","0.0478","","","0.1365","0.1491","","","","","","1.06","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152994","8.5186","0.0003","9.1302","0.0003","19.1613","0.0006","90","","96.867","0.001","90","","1479.61","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 F3 N3 O2 -","- C16 H16 F3 N3 O2 -","- C64 H64 F12 N12 O8 -","4","1","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0428","0.0368","","","0.1077","0.1119","","","","","","1.064","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152995","7.4835","0.0003","8.592","0.0003","11.4002","0.0004","92.445","0.002","104.16","0.002","93.761","0.002","707.9","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 F3 N3 O3 -","- C16 H14 F3 N3 O3 -","- C32 H28 F6 N6 O6 -","2","1","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0472","0.039","","","0.1002","0.1053","","","","","","1.026","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152996","19.9679","0.0008","20.1167","0.0008","16.4722","0.0007","90","","111.103","0.002","90","","6172.9","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl F3 N3 O2 -","- C16 H13 Cl F3 N3 O2 -","- C256 H208 Cl16 F48 N48 O32 -","16","4","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0643","0.0418","","","0.1005","0.1095","","","","","","1.035","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152997","8.6107","0.0007","11.0873","0.001","11.3982","0.001","102.613","0.005","91.556","0.006","106.607","0.005","1012.95","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 F3 N3 O2 -","- C23 H22 F3 N3 O2 -","- C46 H44 F6 N6 O4 -","2","1","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0856","0.0495","","","0.1179","0.138","","","","","","1.012","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152998","18.9332","0.0007","7.6655","0.0002","27.1733","0.0011","90","","90.302","0.003","90","","3943.7","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Br N O5 -","- C22 H16 Br N O5 -","- C176 H128 Br8 N8 O40 -","8","1","","Chen, Lingzhu; Shen, Ruwei; Wu, Luling; Huang, Xian","Pd-catalyzed reaction of aryl halides and propargyl furylmethyl ethers: a novel pathway to functionalized dihydroisobenzofurans.","Organic & biomolecular chemistry","2013","11","35","5954","5962","10.1039/c3ob27503e","","","0.71073","MoKα","","0.0573","0.0381","","","0.0841","0.0931","","","","","","1.026","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7152999","8.1105","0.0016","8.8677","0.0018","14.245","0.003","98.63","0.03","96.32","0.03","110.67","0.03","932.9","0.4","108","2","108","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Cl N3 O4 -","- C20 H22 Cl N3 O4 -","- C40 H44 Cl2 N6 O8 -","2","1","","Banerjee, Swagata; Kitchen, Jonathan A.; Gunnlaugsson, Thorfinnur; Kelly, John M.","The effect of the 4-amino functionality on the photophysical and DNA binding properties of alkyl-pyridinium derived 1,8-naphthalimides.","Organic & biomolecular chemistry","2013","11","34","5642","5655","10.1039/c3ob40370j","","","0.71073","MoKα","","0.073","0.0691","","","0.1633","0.1656","","","","","","1.22","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7153000","8.8081","0.0004","9.2489","0.0004","14.9085","0.0006","85.58","0.002","89.039","0.002","62.137","0.002","1070.27","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 F6 N3 O2 P -","- C22 H22 F6 N3 O2 P -","- C44 H44 F12 N6 O4 P2 -","2","1","","Banerjee, Swagata; Kitchen, Jonathan A.; Gunnlaugsson, Thorfinnur; Kelly, John M.","The effect of the 4-amino functionality on the photophysical and DNA binding properties of alkyl-pyridinium derived 1,8-naphthalimides.","Organic & biomolecular chemistry","2013","11","34","5642","5655","10.1039/c3ob40370j","","","1.54178","CuKα","","0.0521","0.0496","","","0.1445","0.1468","","","","","","1.074","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153001","8.1508","0.0005","17.5996","0.0011","28.8453","0.0018","90","","90","","90","","4137.9","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N -","- C25 H27 N -","- C200 H216 N8 -","8","2","","Jennings, W. Brian; O'Connell, Niamh; Malone, John F.; Boyd, Derek R.","An evaluation of substituent effects on aromatic edge-to-face interactions and CF-π versus CH-π interactions using an imino torsion balance model.","Organic & biomolecular chemistry","2013","11","32","5278","5291","10.1039/c3ob40535d","","","0.71073","MoKα","","0.1132","0.0541","","","0.1127","0.1371","","","","","","1.009","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153002","9.2834","0.0009","17.7729","0.0016","12.4895","0.0011","90","","96.089","0.002","90","","2049.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 F N -","- C25 H26 F N -","- C100 H104 F4 N4 -","4","1","","Jennings, W. Brian; O'Connell, Niamh; Malone, John F.; Boyd, Derek R.","An evaluation of substituent effects on aromatic edge-to-face interactions and CF-π versus CH-π interactions using an imino torsion balance model.","Organic & biomolecular chemistry","2013","11","32","5278","5291","10.1039/c3ob40535d","","","0.71073","MoKα","","0.0778","0.0517","","","0.1213","0.1347","","","","","","1.036","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153003","14.282","0.002","13.625","0.002","11.116","0.002","90","","98.879","0.003","90","","2137.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 F N -","- C25 H26 F N -","- C100 H104 F4 N4 -","4","1","","Jennings, W. Brian; O'Connell, Niamh; Malone, John F.; Boyd, Derek R.","An evaluation of substituent effects on aromatic edge-to-face interactions and CF-π versus CH-π interactions using an imino torsion balance model.","Organic & biomolecular chemistry","2013","11","32","5278","5291","10.1039/c3ob40535d","","","0.71073","MoKα","","0.1816","0.0896","","","0.2297","0.279","","","","","","1.04","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153004","9.746","0.002","17.508","0.003","25.813","0.007","90","","90","","90","","4404.5","1.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C168 H200 N8 O24 -","8","2","","Jennings, W. Brian; O'Connell, Niamh; Malone, John F.; Boyd, Derek R.","An evaluation of substituent effects on aromatic edge-to-face interactions and CF-π versus CH-π interactions using an imino torsion balance model.","Organic & biomolecular chemistry","2013","11","32","5278","5291","10.1039/c3ob40535d","","","0.71073","MoKα","","0.1699","0.0967","","","0.2539","0.3081","","","","","","1.023","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153005","10.771","0.004","12.902","0.005","14.467","0.006","114.478","0.005","91.822","0.006","107.997","0.005","1710.3","1.2","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H44 N2 O4 -","- C41 H26 N2 O4 -","- C82 H52 N4 O8 -","2","1","","Laughlin, Brynna J.; Duniho, Tyler L.; El Homsi, Samantha J.; Levy, Benjamin E.; Deligonul, Nihal; Gaffen, Joshua R.; Protasiewicz, John D.; Tennyson, Andrew G.; Smith, Rhett C.","Comparison of 1,4-distyrylfluorene and 1,4-distyrylbenzene analogues: synthesis, structure, electrochemistry and photophysics.","Organic & biomolecular chemistry","2013","11","33","5425","5434","10.1039/c3ob40580j","","","0.71073","MoKα","","0.2965","0.0969","","","0.2391","0.349","","","","","","0.916","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153006","31.617","0.008","15.289","0.003","14.801","0.003","90","","108.297","0.006","90","","6793","3","160","2","160","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C43 H50 -","- C43 H50 -","- C344 H400 -","8","1","","Laughlin, Brynna J.; Duniho, Tyler L.; El Homsi, Samantha J.; Levy, Benjamin E.; Deligonul, Nihal; Gaffen, Joshua R.; Protasiewicz, John D.; Tennyson, Andrew G.; Smith, Rhett C.","Comparison of 1,4-distyrylfluorene and 1,4-distyrylbenzene analogues: synthesis, structure, electrochemistry and photophysics.","Organic & biomolecular chemistry","2013","11","33","5425","5434","10.1039/c3ob40580j","","","0.71073","MoKα","","0.178","0.0682","","","0.1543","0.2268","","","","","","1.002","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153007","20.601","0.003","10.491","0.0013","24.723","0.006","90","","100.277","0.016","90","","5257.5","1.6","140","2","140","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Compound cone-2","","","- C51 H76 N6 O11 -","- C51 H76 N6 O11 -","- C204 H304 N24 O44 -","4","1","","Ni, Xin-Long; Jin, Cheng-Cheng; Jiang, Xue-Kai; Takimoto, Masashi; Rahman, Shofiur; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Tri-substituted hexahomotrioxacalix[3]arene derivatives bearing imidazole units: synthesis and extraction properties for cations and chromate anions.","Organic & biomolecular chemistry","2013","11","33","5435","5442","10.1039/c3ob40601f","","","0.71073","Mo-Kα","","0.1544","0.0584","","","0.0884","0.1097","","","","","","0.886","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153008","20.7295","0.0017","12.6213","0.0004","37.718","0.003","90","","100.908","0.006","90","","9690","1.2","140","2","140","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Compound partial-cone-2","","","- C51 H68 N6 O7 -","- C51 H68 N6 O7 -","- C408 H544 N48 O56 -","8","2","","Ni, Xin-Long; Jin, Cheng-Cheng; Jiang, Xue-Kai; Takimoto, Masashi; Rahman, Shofiur; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Tri-substituted hexahomotrioxacalix[3]arene derivatives bearing imidazole units: synthesis and extraction properties for cations and chromate anions.","Organic & biomolecular chemistry","2013","11","33","5435","5442","10.1039/c3ob40601f","","","0.71073","Mo-Kα","","0.1023","0.0508","","","0.0958","0.1087","","","","","","0.969","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153009","7.4467","0.0004","12.1591","0.0006","12.8432","0.0006","84.203","0.001","76.464","0.001","84.446","0.001","1121.59","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 O5 -","- C27 H22 N2 O5 -","- C54 H44 N4 O10 -","2","1","","Huang, Cheng-Mei; Jiang, Heng; Wang, Ru-Zhi; Quah, Ching Kheng; Fun, Hoong-Kun; Zhang, Yan","Photocycloadditions of substituted oxazoles with isoquinoline-1,3,4-trione-chemo-, regio-, diastereoselectivities and transformation of the photocycloadducts.","Organic & biomolecular chemistry","2013","11","30","5023","5033","10.1039/c3ob40645h","","","0.71073","MoKα","","0.0736","0.0466","","","0.1389","0.168","","","","","","1.046","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153010","6.8534","0.0005","9.4451","0.0005","9.3061","0.0006","90","","94.8","0.006","90","","600.28","0.07","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H18 O4 -","- C11 H18 O4 -","- C22 H36 O8 -","2","1","","Bihelovic, Filip; Karadzic, Ivanka; Matovic, Radomir; Saicic, Radomir N.","Total synthesis and biological evaluation of (-)-atrop-abyssomicin C.","Organic & biomolecular chemistry","2013","11","33","5413","5424","10.1039/c3ob40692j","","","0.71073","MoKα","","0.0584","0.0316","","","0.054","0.0581","","","","","","0.917","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153011","9.0851","0.0018","13.86","0.003","16.244","0.003","105.68","0.03","106.12","0.03","99.11","0.03","1830.7","0.9","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H36 N2 S6 -","- C40 H36 N2 S6 -","- C80 H72 N4 S12 -","2","1","","Zheng, Ningjuan; Li, Hongda; Sun, Guangyan; Zhong, Keli; Yin, Bingzhu","Synthesis and properties of T-shaped organic conjugates based on 3,6-diarylpyridazine-fused tetrathiafulvalene.","Organic & biomolecular chemistry","2013","11","31","5100","5108","10.1039/c3ob40704g","","","0.71073","MoKα","","0.3287","0.1892","","","0.5106","0.553","","","","","","1.424","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153012","14.734","0.003","8.0689","0.0016","25.063","0.005","90","","105.52","0.03","90","","2871","1.1","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 S6 -","- C28 H28 N2 S6 -","- C112 H112 N8 S24 -","4","1","","Zheng, Ningjuan; Li, Hongda; Sun, Guangyan; Zhong, Keli; Yin, Bingzhu","Synthesis and properties of T-shaped organic conjugates based on 3,6-diarylpyridazine-fused tetrathiafulvalene.","Organic & biomolecular chemistry","2013","11","31","5100","5108","10.1039/c3ob40704g","","","0.71073","MoKα","","0.1132","0.0562","","","0.116","0.1396","","","","","","1.026","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153013","10.9436","0.0005","11.0673","0.0006","11.6719","0.0005","94.869","0.004","113.495","0.004","104.707","0.004","1226.08","0.12","120","","120","","","","","","","","","4","P -1","-P 1","2","","(3aRS,6aRS)-6a-Hydroxy-2-(4-methylphenyl)-3a-[4-(4-methylphenyl)- 2H-1,2,3-triazol-2-yl]-3,5,6,6a-tetrahydropyrrolo[3,4-b]pyrrole-4(3H)-one","","- C26 H29 N5 O4 -","- C26 H29 N5 O4 -","- C52 H58 N10 O8 -","2","1","","Rostovskii, Nikolai V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.; Korneev, Sergei M.; Yufit, Dmitry S.","Cu(ii)-catalyzed domino reaction of 2H-azirines with diazotetramic and diazotetronic acids. Synthesis of 2-substituted 2H-1,2,3-triazoles.","Organic & biomolecular chemistry","2013","11","33","5535","5545","10.1039/c3ob40708j","","","0.7107","MoKα","Mo","0.0574","0.0458","","","0.1136","0.1232","","","","","","1.01","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153014","22.883","0.002","17.0326","0.0017","14.7571","0.0015","90","","124.209","0.002","90","","4756.6","0.8","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(3aRS,6aRS)-5-Acetyl-6a-hydroxy-2-(4-methylphenyl)-3a-[4- -(4-methylphenyl)-2H-1,2,3-triazol-2-yl]-3,5,6,6a-tetrahydropyrrolo[3,4-b] pyrrol-4(3H)-one ethyl acetate solvate (1:1)","","- C26 H27 N5 O4 -","- C26 H27 N5 O4 -","- C208 H216 N40 O32 -","8","1","","Rostovskii, Nikolai V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.; Korneev, Sergei M.; Yufit, Dmitry S.","Cu(ii)-catalyzed domino reaction of 2H-azirines with diazotetramic and diazotetronic acids. Synthesis of 2-substituted 2H-1,2,3-triazoles.","Organic & biomolecular chemistry","2013","11","33","5535","5545","10.1039/c3ob40708j","","x-ray","0.71073","MoKα","K-L~3~","0.0925","0.0564","","","0.1507","0.1688","","","","","","1.024","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153015","11.2557","0.0003","7.9016","0.0002","21.4436","0.0006","90","","100.571","0.01","90","","1874.78","0.11","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3aRS,6aSR)-6a-Hydroxy-2-(4-methylphenyl)-3a-[4-(4-methylphenyl)- 1,2,3-triazol-2-yl]-6,6a-dihydro-3H-furo[3,4-b]pyrrol-4(3aH)-one","","- C22 H20 N4 O3 -","- C22 H20 N4 O3 -","- C88 H80 N16 O12 -","4","1","","Rostovskii, Nikolai V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.; Korneev, Sergei M.; Yufit, Dmitry S.","Cu(ii)-catalyzed domino reaction of 2H-azirines with diazotetramic and diazotetronic acids. Synthesis of 2-substituted 2H-1,2,3-triazoles.","Organic & biomolecular chemistry","2013","11","33","5535","5545","10.1039/c3ob40708j","","x-ray","0.71073","MOKα","K-L~3~","0.0659","0.0462","","","0.1201","0.1358","","","","","","1.056","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153016","26.87","0.0009","14.9778","0.0005","10.1263","0.0004","90","","102.53","0.02","90","","3978.3","0.4","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(5RS,9SR)-3-(4-methylphenyl)-9-[4-(4-methylphenyl)-1,2,3-triazol-2-yl]- 1,7-dioxa-4-azaspiro[4.4]non-3-en-8-one","","- C22 H20 N4 O3 -","- C22 H20 N4 O3 -","- C176 H160 N32 O24 -","8","1","","Rostovskii, Nikolai V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.; Korneev, Sergei M.; Yufit, Dmitry S.","Cu(ii)-catalyzed domino reaction of 2H-azirines with diazotetramic and diazotetronic acids. Synthesis of 2-substituted 2H-1,2,3-triazoles.","Organic & biomolecular chemistry","2013","11","33","5535","5545","10.1039/c3ob40708j","","x-ray","0.71073","MOKα","K-L~3~","0.0907","0.0553","","","0.1355","0.1551","","","","","","1.03","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153017","5.6971","0.0002","11.5145","0.0003","19.4201","0.0005","90","","90","","90","","1273.94","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O6 -","- C12 H20 O6 -","- C48 H80 O24 -","4","1","","Vidyasagar, Adiyala; Pathigoolla, Atchutarao; Sureshan, Kana M.","Chemoselective alcoholysis/acetolysis of trans-ketals over cis-ketals and its application in the total synthesis of the cellular second messenger, d-myo-inositol-1,4,5-trisphosphate.","Organic & biomolecular chemistry","2013","11","33","5443","5453","10.1039/c3ob40789f","","","0.71073","MoKα","","0.0292","0.0285","","","0.081","0.0823","","","","","","1.059","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153018","12.681","0.004","18.138","0.005","9.663","0.003","90","","96.551","0.007","90","","2208.1","1.2","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C20 H28 O10 -","- C20 H28 O10 -","- C80 H112 O40 -","4","1","","Vidyasagar, Adiyala; Pathigoolla, Atchutarao; Sureshan, Kana M.","Chemoselective alcoholysis/acetolysis of trans-ketals over cis-ketals and its application in the total synthesis of the cellular second messenger, d-myo-inositol-1,4,5-trisphosphate.","Organic & biomolecular chemistry","2013","11","33","5443","5453","10.1039/c3ob40789f","","","0.71073","MoKα","","0.0565","0.0411","","","0.1033","0.1117","","","","","","1.031","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153019","10.298","0.004","11.735","0.005","22.178","0.009","90","","90","","90","","2680.1","1.9","110","2","110","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C27 H29 O8 -","- C27 H29 O8 -","- C108 H116 O32 -","4","1","","Vidyasagar, Adiyala; Pathigoolla, Atchutarao; Sureshan, Kana M.","Chemoselective alcoholysis/acetolysis of trans-ketals over cis-ketals and its application in the total synthesis of the cellular second messenger, d-myo-inositol-1,4,5-trisphosphate.","Organic & biomolecular chemistry","2013","11","33","5443","5453","10.1039/c3ob40789f","","","0.71073","MoKα","","0.1305","0.115","","","0.2318","0.2409","","","","","","1.196","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153020","12.3101","0.0017","8.8146","0.0013","14.675","0.002","90","","97.891","0.003","90","","1577.3","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Cl N2 O3 -","- C19 H13 Cl N2 O3 -","- C76 H52 Cl4 N8 O12 -","4","1","","Xia, Likai; Lee, Yong Rok","Efficient one-step synthesis of pyrrolo[3,4-c]quinoline-1,3-dione derivatives by organocatalytic cascade reactions of isatins and β-ketoamides.","Organic & biomolecular chemistry","2013","11","32","5254","5263","10.1039/c3ob40791h","","","0.71073","MoKα","","0.1194","0.0498","","","0.1131","0.1728","","","","","","1.079","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153021","8.6842","0.0005","8.7472","0.0006","18.5924","0.0013","90","","93.142","0.006","90","","1410.2","0.16","150","0.14","150","0.14","","","","","","","Synthesis","5","P 1 21 1","P 2yb","4","","","","- C26 H41 N O5 Si -","- C26 H41 N O5 Si -","- C52 H82 N2 O10 Si2 -","2","1","","Paños, Julián; Díaz-Oltra, Santiago; Sánchez-Peris, María; García-Pla, Jorge; Murga, Juan; Falomir, Eva; Carda, Miguel; Redondo-Horcajo, Mariano; Díaz, J Fernando; Barasoain, Isabel; Marco, J. Alberto","Synthesis and biological evaluation of truncated α-tubulin-binding pironetin analogues lacking alkyl pendants in the side chain or the dihydropyrone ring.","Organic & biomolecular chemistry","2013","11","35","5809","5826","10.1039/c3ob40854j","","","1.54184","CuKα","","0.0862","0.0757","","","0.2339","0.2405","","","","","","1.147","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153022","16.8022","0.0002","14.5818","0.0002","19.7887","0.0003","90","","93.414","0.001","90","","4839.75","0.11","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C30 H18 Br N O3 -","- C30 H18 Br N O3 -","- C240 H144 Br8 N8 O24 -","8","2","","Lee, Yu-Ting; Lee, Yen-Te; Lee, Chia-Jui; Sheu, Chia-Ning; Lin, Bo-Yu; Wang, Jeng-Han; Lin, Wenwei","Chemoselective synthesis of tetrasubstituted furans via intramolecular Wittig reactions: mechanism and theoretical analysis.","Organic & biomolecular chemistry","2013","11","31","5156","5161","10.1039/c3ob40858b","","","0.71073","MoKα","","0.1141","0.0608","","","0.1638","0.2162","","","","","","0.796","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153023","8.8458","0.0002","27.2982","0.0006","15.4284","0.0003","90","","92.079","0.001","90","","3723.11","0.14","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 Br Cl3 N O3 P -","- C36 H42 Br Cl3 N O3 P -","- C144 H168 Br4 Cl12 N4 O12 P4 -","4","1","","Lee, Yu-Ting; Lee, Yen-Te; Lee, Chia-Jui; Sheu, Chia-Ning; Lin, Bo-Yu; Wang, Jeng-Han; Lin, Wenwei","Chemoselective synthesis of tetrasubstituted furans via intramolecular Wittig reactions: mechanism and theoretical analysis.","Organic & biomolecular chemistry","2013","11","31","5156","5161","10.1039/c3ob40858b","","","0.71073","MoKα","","0.1318","0.0712","","","0.1846","0.2346","","","","","","1.143","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153024","12.4196","0.0015","13.915","0.002","17.027","0.002","67.414","0.012","89.449","0.009","67.009","0.008","2466.7","0.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Br N O3 -","- C28 H22 Br N O3 -","- C112 H88 Br4 N4 O12 -","4","2","","Lee, Yu-Ting; Lee, Yen-Te; Lee, Chia-Jui; Sheu, Chia-Ning; Lin, Bo-Yu; Wang, Jeng-Han; Lin, Wenwei","Chemoselective synthesis of tetrasubstituted furans via intramolecular Wittig reactions: mechanism and theoretical analysis.","Organic & biomolecular chemistry","2013","11","31","5156","5161","10.1039/c3ob40858b","","","0.71073","MoKα","","0.2041","0.0821","","","0.2058","0.2642","","","","","","0.975","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153025","16.6326","0.0007","18.9665","0.0008","9.2524","0.0004","90","","97.506","0.002","90","","2893.8","0.2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 Br2 O4 -","- C36 H22 Br2 O4 -","- C144 H88 Br8 O16 -","4","1","","Lee, Yu-Ting; Lee, Yen-Te; Lee, Chia-Jui; Sheu, Chia-Ning; Lin, Bo-Yu; Wang, Jeng-Han; Lin, Wenwei","Chemoselective synthesis of tetrasubstituted furans via intramolecular Wittig reactions: mechanism and theoretical analysis.","Organic & biomolecular chemistry","2013","11","31","5156","5161","10.1039/c3ob40858b","","","0.71073","MoKα","","0.0803","0.0428","","","0.0825","0.0977","","","","","","1.005","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153026","15.05","0.005","8.96","0.003","21.187","0.007","90","","90","","90","","2857","1.6","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Annulated Coumarin","5,6-dihydro-4H-benzo[f]naptho[2,1-c]chromen-4-one","","- C21 H14 O2 -","- C21 H14 O2 -","- C168 H112 O16 -","8","1","","Goel, Atul; Taneja, Gaurav; Raghuvanshi, Ashutosh; Kant, Ruchir; Maulik, Prakas R.","Diversity-oriented general protocol for the synthesis of privileged oxygen scaffolds: pyrones, coumarins, benzocoumarins and naphthocoumarins.","Organic & biomolecular chemistry","2013","11","32","5239","5253","10.1039/c3ob40859k","","","0.71073","MoKα","","0.106","0.063","","","0.1501","0.204","","","","","","1.083","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153027","20.542","0.002","7.512","0.001","18.182","0.002","90","","109.593","0.001","90","","2643.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Benzofuran","3-amino-6,7-dichloro-5-hydroxybenzofuran-2,4-dicarbonitrile","","- C12 H6 Cl2 N4 O2 -","- C12 H6 Cl2 N4 O2 -","- C96 H48 Cl16 N32 O16 -","8","1","","Goel, Atul; Taneja, Gaurav; Raghuvanshi, Ashutosh; Kant, Ruchir; Maulik, Prakas R.","Diversity-oriented general protocol for the synthesis of privileged oxygen scaffolds: pyrones, coumarins, benzocoumarins and naphthocoumarins.","Organic & biomolecular chemistry","2013","11","32","5239","5253","10.1039/c3ob40859k","","","0.7107","MoKα","","0.1133","0.0594","","","0.1331","0.166","","","","","","0.993","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153028","6.8659","0.0002","18.4844","0.0005","11.9993","0.0004","90","","103.118","0.003","90","","1483.12","0.08","190","","190","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-phenyl-7-(phenylthio)-5H-pyrrolo[3,2-d]pyrimidine","","- C18 H13 N3 S -","- C18 H13 N3 S -","- C72 H52 N12 S4 -","4","1","","Klečka, Martin; Pohl, Radek; Cejka, Jan; Hocek, Michal","Direct C-H sulfenylation of purines and deazapurines.","Organic & biomolecular chemistry","2013","11","31","5189","5193","10.1039/c3ob40881g","","x-ray","1.54184","CuKα","","0.0408","0.0369","","0.0484","0.0467","0.0467","","","","","","1.0035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153029","5.9059","0.0003","13.568","0.0005","24.5309","0.0009","90","","91.499","0.004","90","","1965.02","0.14","190","","190","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-benzyl-4-phenyl-5-(phenylthio)-7H-pyrrolo[2,3-d]pyrimidine","","- C25 H19 N3 S -","- C25 H19 N3 S -","- C100 H76 N12 S4 -","4","1","","Klečka, Martin; Pohl, Radek; Cejka, Jan; Hocek, Michal","Direct C-H sulfenylation of purines and deazapurines.","Organic & biomolecular chemistry","2013","11","31","5189","5193","10.1039/c3ob40881g","","x-ray","1.54184","CuKα","","0.0463","0.0392","","0.0557","0.0502","0.0502","","","","","","1.0885","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153030","5.1378","0.0003","6.7876","0.0004","32.299","0.0017","90","","90","","90","","1126.37","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","compound 5b","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","","Asta, Chimène; Schmidt, Dietmar; Conrad, Jürgen; Frey, Wolfgang; Beifuss, Uwe","Combination of enzyme- and Lewis acid-catalyzed reactions: a new method for the synthesis of 6,7-dihydrobenzofuran-4(5H)-ones starting from 2,5-dimethylfuran and 1,3-cyclohexanediones.","Organic & biomolecular chemistry","2013","11","34","5692","5701","10.1039/c3ob40926k","","","0.71073","MoKα","","0.0651","0.0521","","","0.1061","0.1102","","","","","","1.088","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153031","22.603","0.004","11.0296","0.0019","10.1777","0.0017","90","","90","","90","","2537.3","0.8","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","compound 5d","","- C14 H18 O3 -","- C14 H18 O3 -","- C112 H144 O24 -","8","2","","Asta, Chimène; Schmidt, Dietmar; Conrad, Jürgen; Frey, Wolfgang; Beifuss, Uwe","Combination of enzyme- and Lewis acid-catalyzed reactions: a new method for the synthesis of 6,7-dihydrobenzofuran-4(5H)-ones starting from 2,5-dimethylfuran and 1,3-cyclohexanediones.","Organic & biomolecular chemistry","2013","11","34","5692","5701","10.1039/c3ob40926k","","","0.71073","MoKα","","0.1193","0.0606","","","0.1159","0.1283","","","","","","1.048","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153032","14.554","0.003","12.849","0.003","8.6466","0.0017","90","","90","","90","","1617","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H18 N O5 P -","- C15 H18 N O5 P -","- C60 H72 N4 O20 P4 -","4","0.5","","Cai, Yan; Lu, Yuchen; Yu, Chengbin; Lyu, Hairong; Miao, Zhiwei","Combined C-H functionalization/O-H insertion reaction to form tertiary β-alkoxy substituted β-aminophosphonates catalyzed by [Cu(MeCN)4]PF6.","Organic & biomolecular chemistry","2013","11","33","5491","5499","10.1039/c3ob40941d","","","0.71073","MoKα","","0.0616","0.0501","","","0.145","0.157","","","","","","1.054","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153033","11.2588","0.0001","11.763","0.0002","12.8358","0.0002","90","","90","","90","","1699.94","0.04","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N3 O2 -","- C21 H25 N3 O2 -","- C84 H100 N12 O8 -","4","1","","Simpkins, Nigel S.; Pavlakos, Ilias; Weller, Michael D.; Male, Louise","The cascade radical cyclisation approach to prenylated alkaloids: synthesis of stephacidin A and notoamide B.","Organic & biomolecular chemistry","2013","11","30","4957","4970","10.1039/c3ob40979a","","","1.54178","CuKα","","0.0344","0.0329","","","0.0849","0.0861","","","","","","1.068","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153034","8.047","0.0017","10.678","0.003","22.331","0.005","90","","90","","90","","1918.8","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N3 O3 -","- C22 H29 N3 O3 -","- C88 H116 N12 O12 -","4","1","","Simpkins, Nigel S.; Pavlakos, Ilias; Weller, Michael D.; Male, Louise","The cascade radical cyclisation approach to prenylated alkaloids: synthesis of stephacidin A and notoamide B.","Organic & biomolecular chemistry","2013","11","30","4957","4970","10.1039/c3ob40979a","","","0.71073","MoKα","","0.0727","0.0628","","","0.1275","0.1319","","","","","","1.131","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153035","10.6567","0.0003","13.9156","0.0004","24.7451","0.0006","90","","90","","90","","3669.56","0.17","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H49 N3 O6 S -","- C41 H49 N3 O6 S -","- C164 H196 N12 O24 S4 -","4","1","","Simpkins, Nigel S.; Pavlakos, Ilias; Weller, Michael D.; Male, Louise","The cascade radical cyclisation approach to prenylated alkaloids: synthesis of stephacidin A and notoamide B.","Organic & biomolecular chemistry","2013","11","30","4957","4970","10.1039/c3ob40979a","","","1.54178","CuKα","","0.0336","0.0332","","","0.0921","0.0925","","","","","","1.045","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153036","38.342","0.003","38.342","0.003","5.7826","0.0004","90","","90","","90","","8501.1","1.1","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C25 H27 N O2 -","- C25 H27 N O2 -","- C400 H432 N16 O32 -","16","1","","Ye, Juntao; Li, Suhua; Ma, Shengming","Gorlos-phos: addressing the stereoselectivity in palladium-catalyzed exo-mode cyclization of allenes with a nucleophilic functionality.","Organic & biomolecular chemistry","2013","11","32","5370","5373","10.1039/c3ob40983j","","","0.71073","MoKα","","0.0705","0.0447","","","0.0868","0.0966","","","","","","1.077","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153037","13.9084","0.0018","5.9803","0.0008","22.981","0.003","90","","105.356","0.004","90","","1843.2","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","","Ye, Juntao; Li, Suhua; Ma, Shengming","Gorlos-phos: addressing the stereoselectivity in palladium-catalyzed exo-mode cyclization of allenes with a nucleophilic functionality.","Organic & biomolecular chemistry","2013","11","32","5370","5373","10.1039/c3ob40983j","","","0.71073","MoKα","","0.1043","0.0685","","","0.205","0.2462","","","","","","1.053","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153038","7.907","0.008","8.093","0.008","12.534","0.013","90","","101.397","0.009","90","","786.3","1.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 Br N O5 -","- C16 H16 Br N O5 -","- C32 H32 Br2 N2 O10 -","2","1","","Liu, Luping; Zhang, Dekui; Zhang, Panpan; Jiang, Xianxing; Wang, Rui","Catalytic highly asymmetric 1,5(6)-selective cyclization reaction of α-hydroxyimino cyclic ketones: direct approach to ring-fused hydroxyimino dihydropyrans.","Organic & biomolecular chemistry","2013","11","32","5222","5225","10.1039/c3ob41001c","","","0.71073","MoKα","","0.0783","0.0489","","","0.1106","0.1218","","","","","","1.009","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153039","5.8473","0.0006","36.267","0.004","20.608","0.002","90","","92.22","0.004","90","","4366.9","0.8","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24.5 H23.5 Cl1.5 N5 -","- C24.5 H23.5 Cl1.5 N5 -","- C196 H188 Cl12 N40 -","8","2","","Feula, Antonio; Dhillon, Sundeep S.; Byravan, Rama; Sangha, Mandeep; Ebanks, Ronald; Hama Salih, Mariwan A.; Spencer, Neil; Male, Louise; Magyary, Istvan; Deng, Wei-Ping; Müller, Ferenc; Fossey, John S.","Synthesis of azetidines and pyrrolidines via iodocyclisation of homoallyl amines and exploration of activity in a zebrafish embryo assay.","Organic & biomolecular chemistry","2013","11","31","5083","5093","10.1039/c3ob41007b","","","0.71073","MoKα","","0.2538","0.138","","","0.2068","0.2569","","","","","","1.185","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153040","9.355","0.004","6.959","0.003","25.667","0.01","90","","94.226","0.006","90","","1666.4","1.2","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl O4 -","- C20 H17 Cl O4 -","- C80 H68 Cl4 O16 -","4","1","","Wang, Ze-Dong; Wang, Feng; Li, Xin; Cheng, Jin-Pei","N-heterocyclic carbene catalyzed annulation of benzofuran-2,3-diones and enals: a concise synthesis of spiro-bis-lactone.","Organic & biomolecular chemistry","2013","11","34","5634","5641","10.1039/c3ob41028e","","","0.71073","MoKα","","0.0628","0.0417","","","0.0964","0.1092","","","","","","0.991","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153041","11.874","0.006","14.457","0.007","10.519","0.005","90","","108.21","0.008","90","","1715.3","1.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl O4 -","- C20 H17 Cl O4 -","- C80 H68 Cl4 O16 -","4","1","","Wang, Ze-Dong; Wang, Feng; Li, Xin; Cheng, Jin-Pei","N-heterocyclic carbene catalyzed annulation of benzofuran-2,3-diones and enals: a concise synthesis of spiro-bis-lactone.","Organic & biomolecular chemistry","2013","11","34","5634","5641","10.1039/c3ob41028e","","","0.71073","MoKα","","0.0425","0.0317","","","0.0772","0.0792","","","","","","1.057","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153042","11.9471","0.0004","9.6297","0.0003","18.1609","0.0006","90","","93.81","0.003","90","","2084.74","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3R/S,5R/S)-methyl 3-acetamido-5-(dimethylcarbamoyl)-6-methyl-2-(phenylcarbamoyl)- 2,3,4,5-tetrahydropyridazine-3-carboxylate","","- C19 H25 N5 O5 -","- C19 H25 N5 O5 -","- C76 H100 N20 O20 -","4","1","","Giorgi, Gianluca; Favi, Gianfranco; Attanasi, Orazio A.","Insights into diastereoisomeric characterization of tetrahydropyridazine amino acid derivatives: crystal structures and gas phase ion chemistry.","Organic & biomolecular chemistry","2013","11","30","5006","5011","10.1039/c3ob41034j","","","0.71073","MoKα","","0.095","0.0424","","","0.0874","0.0961","","","","","","0.813","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153043","16.0057","0.0007","9.0537","0.0003","18.9373","0.0007","90","","111.479","0.004","90","","2553.64","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3R/S,5S/R)-methyl 3-acetamido-5-(dimethylcarbamoyl)-6-methyl-2-(phenylcarbamoyl)- 2,3,4,5-tetrahydropyridazine-3-carboxylate compound with ethyl acetate","","- C23 H33 N5 O7 -","- C23 H33 N5 O7 -","- C92 H132 N20 O28 -","4","1","","Giorgi, Gianluca; Favi, Gianfranco; Attanasi, Orazio A.","Insights into diastereoisomeric characterization of tetrahydropyridazine amino acid derivatives: crystal structures and gas phase ion chemistry.","Organic & biomolecular chemistry","2013","11","30","5006","5011","10.1039/c3ob41034j","","","0.71073","MoKα","","0.0991","0.0434","","","0.0931","0.1028","","","","","","0.809","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153044","10.3509","0.0006","11.7545","0.0007","15.0554","0.0009","90","","90","","90","","1831.79","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O3 S -","- C20 H22 O3 S -","- C80 H88 O12 S4 -","4","1","","Aitken, Harry R. M.; Furkert, Daniel P.; Hubert, Jonathan G.; Wood, James M.; Brimble, Margaret A.","Enantioselective access to benzannulated spiroketals using a chiral sulfoxide auxiliary.","Organic & biomolecular chemistry","2013","11","31","5147","5155","10.1039/c3ob41065j","","","0.71073","MoKα","","0.0483","0.0378","","","0.0793","0.084","","","","","","1.037","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153045","8.5909","0.0004","10.8998","0.0005","9.6997","0.0004","90","","104.215","0.003","90","","880.46","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 O3 S -","- C20 H22 O3 S -","- C40 H44 O6 S2 -","2","1","","Aitken, Harry R. M.; Furkert, Daniel P.; Hubert, Jonathan G.; Wood, James M.; Brimble, Margaret A.","Enantioselective access to benzannulated spiroketals using a chiral sulfoxide auxiliary.","Organic & biomolecular chemistry","2013","11","31","5147","5155","10.1039/c3ob41065j","","","0.71073","MoKα","","0.0408","0.0355","","","0.0785","0.0818","","","","","","1.038","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153046","25.558","0.003","4.5239","0.0005","23.971","0.003","90","","120.647","0.002","90","","2384.4","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H9 N2 O -","- C16 H9 N2 O -","- C128 H72 N16 O8 -","8","1","","Nakhi, Ali; Rahman, Md Shafiqur; Seerapu, Guru Pavan Kumar; Banote, Rakesh Kumar; Kumar, Kummari Lalith; Kulkarni, Pushkar; Haldar, Devyani; Pal, Manojit","Transition metal free hydrolysis/cyclization strategy in a single pot: synthesis of fused furo N-heterocycles of pharmacological interest.","Organic & biomolecular chemistry","2013","11","30","4930","4934","10.1039/c3ob41069b","","","0.71073","MoKα","","0.0727","0.0545","","","0.1424","0.1561","","","","","","1.056","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153047","11.6871","0.0005","12.8055","0.0007","14.7108","0.0006","94.246","0.004","91.367","0.003","113.935","0.005","2003.25","0.18","119.8","","119.8","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H51 N O6 -","- C46 H51 N O6 -","- C92 H102 N2 O12 -","2","1","","Slavík, Petr; Flídrová, Karolína; Dvořáková, Hana; Eigner, Václav; Lhoták, Pavel","Meta-arylation of calixarenes using organomercurial chemistry.","Organic & biomolecular chemistry","2013","11","33","5528","5534","10.1039/c3ob41085d","","x-ray","1.5418","CuKα","","0.0448","0.0372","","","0.1017","0.1076","","","","1.74","1.74","1.68","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153048","13.4473","0.0002","30.0322","0.0005","16.7673","0.0003","90","","92.7714","0.0014","90","","6763.59","0.19","190","","190","","","","101","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C80 H94 O8 -","- C80 H94 O8 -","- C320 H376 O32 -","4","1","","Slavík, Petr; Flídrová, Karolína; Dvořáková, Hana; Eigner, Václav; Lhoták, Pavel","Meta-arylation of calixarenes using organomercurial chemistry.","Organic & biomolecular chemistry","2013","11","33","5528","5534","10.1039/c3ob41085d","","","1.54184","CuKα","","0.066","0.0552","","0.1007","0.0948","0.1007","","","","","","0.9574","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153049","38.668","0.001","9.91309","0.00018","38.2857","0.0009","90","","99.843","0.002","90","","14459.6","0.6","170","","170","","","","101","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H47 Cl Hg O4 -","- C40 H47 Cl Hg O4 -","- C640 H752 Cl16 Hg16 O64 -","16","2","","Slavík, Petr; Flídrová, Karolína; Dvořáková, Hana; Eigner, Václav; Lhoták, Pavel","Meta-arylation of calixarenes using organomercurial chemistry.","Organic & biomolecular chemistry","2013","11","33","5528","5534","10.1039/c3ob41085d","","","1.5418","CuKα","","0.043","0.0407","","0.0944","0.0899","0.0944","","","","","","1.0165","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153050","28.7348","0.0014","5.8963","0.0002","23.3995","0.0008","90","","90.806","0.003","90","","3964.2","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 -","- C13 H10 N2 -","- C208 H160 N32 -","16","4","","Dixon, Luke I.; Carroll, Michael A.; Gregson, Thomas J.; Ellames, George J.; Harrington, Ross W.; Clegg, William","Unprecedented regiochemical control in the formation of aryl[1,2-a]imidazopyridines from alkynyliodonium salts: mechanistic insights.","Organic & biomolecular chemistry","2013","11","35","5877","5884","10.1039/c3ob41112e","","","1.54184","CuKα","","0.1073","0.0784","","","0.2092","0.2275","","","","","","1.048","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153051","6.8922","0.0004","9.1653","0.0006","10.6422","0.0006","74.573","0.005","74.634","0.005","71.501","0.005","602.44","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Cl N2 O -","- C13 H13 Cl N2 O -","- C26 H26 Cl2 N4 O2 -","2","1","","Dixon, Luke I.; Carroll, Michael A.; Gregson, Thomas J.; Ellames, George J.; Harrington, Ross W.; Clegg, William","Unprecedented regiochemical control in the formation of aryl[1,2-a]imidazopyridines from alkynyliodonium salts: mechanistic insights.","Organic & biomolecular chemistry","2013","11","35","5877","5884","10.1039/c3ob41112e","","","0.71073","MoKα","","0.0446","0.035","","","0.0948","0.0981","","","","","","1.092","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153052","11.2615","0.0009","7.2071","0.0006","16.8121","0.0015","90","","101.751","0.008","90","","1335.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Cl N2 O2 -","- C13 H15 Cl N2 O2 -","- C52 H60 Cl4 N8 O8 -","4","1","","Dixon, Luke I.; Carroll, Michael A.; Gregson, Thomas J.; Ellames, George J.; Harrington, Ross W.; Clegg, William","Unprecedented regiochemical control in the formation of aryl[1,2-a]imidazopyridines from alkynyliodonium salts: mechanistic insights.","Organic & biomolecular chemistry","2013","11","35","5877","5884","10.1039/c3ob41112e","","","0.71073","MoKα","","0.0643","0.0393","","","0.0958","0.1002","","","","","","1.033","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153053","9.2369","0.0003","9.8428","0.0002","14.2265","0.0004","90","","103.321","0.003","90","","1258.63","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 I O2 -","- C15 H9 I O2 -","- C60 H36 I4 O8 -","4","1","","Dixon, Luke I.; Carroll, Michael A.; Gregson, Thomas J.; Ellames, George J.; Harrington, Ross W.; Clegg, William","Unprecedented regiochemical control in the formation of aryl[1,2-a]imidazopyridines from alkynyliodonium salts: mechanistic insights.","Organic & biomolecular chemistry","2013","11","35","5877","5884","10.1039/c3ob41112e","","","0.71073","MoKα","","0.0194","0.0166","","","0.0396","0.0403","","","","","","1.048","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153054","8.228","0.0016","8.35","0.0017","15.938","0.003","90","","99.9","0.03","90","","1078.7","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H24 N4 O6 S -","- C21 H24 N4 O6 S -","- C42 H48 N8 O12 S2 -","2","1","","Kim, Ki Tae; Kim, Hyun Woo; Moon, Dohyun; Rhee, Young Min; Kim, Byeang Hyean","(DNS)C: a fluorescent, environmentally sensitive cytidine derivative for the direct detection of GGG triad sequences.","Organic & biomolecular chemistry","2013","11","34","5605","5614","10.1039/c3ob41222a","","","0.72999","synchrotron","","0.0434","0.0385","","","0.1072","0.1091","","","","","","1.061","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153055","18.6107","0.0004","5.73338","0.00013","19.3766","0.0004","90","","113.408","0.008","90","","1897.37","0.13","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 Br O4 -","- C20 H23 Br O4 -","- C80 H92 Br4 O16 -","4","2","","Krishnamurthi, Janagiraman; Nambu, Hisanori; Takeda, Koji; Anada, Masahiro; Yamano, Akihito; Hashimoto, Shunichi","Enantioselective cycloaddition of carbonyl ylides with arylallenes using Rh2(S-TCPTTL)4.","Organic & biomolecular chemistry","2013","11","32","5374","5382","10.1039/c3ob41236a","","","1.54187","CuKα","","","0.0266","","","","0.0729","","","","","","1.122","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153056","11.8031","0.0006","12.1213","0.0006","14.0357","0.0007","91.493","0.001","113.899","0.001","111.558","0.001","1670.96","0.15","171","2","171","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H32 Cu F6 I N3 P -","- C35 H32 Cu F6 I N3 P -","- C70 H64 Cu2 F12 I2 N6 P2 -","2","1","","Saha, Manik Lal; Bats, Jan W.; Schmittel, Michael","Merging strong and weak coordination motifs in the integrative self-sorting of a 5-component trapezoid and scalene triangle.","Organic & biomolecular chemistry","2013","11","34","5592","5595","10.1039/c3ob41258j","","","0.71073","MoKα","","0.0431","0.0314","","","0.071","0.0754","","","","","","1.027","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153057","8.2718","0.0007","13.6799","0.0013","23.831","0.002","90","","90","","90","","2696.7","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 F2 N O7 S2 -","- C27 H25 F2 N O7 S2 -","- C108 H100 F8 N4 O28 S8 -","4","1","","Dou, Xiaowei; Lu, Yixin","Enantioselective conjugate addition of 3-fluoro-oxindoles to vinyl sulfone: an organocatalytic access to chiral 3-fluoro-3-substituted oxindoles.","Organic & biomolecular chemistry","2013","11","32","5217","5221","10.1039/c3ob41267a","","","0.71073","MoKα","","0.0458","0.0402","","","0.0883","0.091","","","","","","1.028","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153058","8.4338","0.0001","15.4596","0.0003","15.6357","0.0003","90","","90","","90","","2038.63","0.06","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","Mattson 1860","","","- C24 H22 N2 O5 -","- C24 H22 N2 O5 -","- C96 H88 N8 O20 -","4","1","","Hardman, Andrea M.; So, Sonia S.; Mattson, Anita E.","Urea-catalyzed construction of oxazinanes.","Organic & biomolecular chemistry","2013","11","35","5793","5797","10.1039/c3ob41517a","","x-ray","0.71073","MoKα","","0.0469","0.0348","","","0.0715","0.0761","","","","","","1.066","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153059","8.2132","0.0001","8.738","0.0001","15.5338","0.0003","84.567","0.001","79.398","0.001","67.733","0.001","1013.69","0.03","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","Mattson 1934","","","- C24 H22 N2 O5 -","- C24 H22 N2 O5 -","- C48 H44 N4 O10 -","2","1","","Hardman, Andrea M.; So, Sonia S.; Mattson, Anita E.","Urea-catalyzed construction of oxazinanes.","Organic & biomolecular chemistry","2013","11","35","5793","5797","10.1039/c3ob41517a","","x-ray","0.71073","MoKα","","0.0613","0.0419","","","0.1054","0.1171","","","","","","1.047","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153060","7.3566","0.0002","8.0059","0.0002","9.006","0.0002","65.624","0.001","71.772","0.002","81.292","0.002","458.74","0.02","150","2","150","2","","","","","","","synthesis as described","4","P 1","P 1","1","Mattson 1932","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","1","1","","Hardman, Andrea M.; So, Sonia S.; Mattson, Anita E.","Urea-catalyzed construction of oxazinanes.","Organic & biomolecular chemistry","2013","11","35","5793","5797","10.1039/c3ob41517a","","x-ray","0.71073","MoKα","","0.0428","0.0367","","","0.0824","0.0863","","","","","","1.056","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153061","8.5784","0.00001","15.2797","0.0002","16.5909","0.0002","90","","90","","90","","2174.66","0.04","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","Mattson 1956","","","- C24 H21 Cl N2 O5 -","- C24 H21 Cl N2 O5 -","- C96 H84 Cl4 N8 O20 -","4","1","","Hardman, Andrea M.; So, Sonia S.; Mattson, Anita E.","Urea-catalyzed construction of oxazinanes.","Organic & biomolecular chemistry","2013","11","35","5793","5797","10.1039/c3ob41517a","","x-ray","0.71073","MoKα","","0.0446","0.035","","","0.079","0.0838","","","","","","1.051","","","","has coordinates","296814","2024-12-10","08:46:17",""
"7153064","15.8817","0.0011","5.825","0.0004","16.5782","0.0012","90","","117.321","0.002","90","","1362.58","0.17","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cl N3 O -","- C16 H12 Cl N3 O -","- C64 H48 Cl4 N12 O4 -","4","1","","Dong, Jing-Jun; Li, Qing-Shan; Wang, Shu-Fu; Li, Cui-Yun; Zhao, Xin; Qiu, Han-Yue; Zhao, Meng-Yue; Zhu, Hai-Liang","Synthesis, biological evaluation and molecular docking of novel 5-phenyl-1H-pyrazol derivatives as potential BRAF(V600E) inhibitors.","Organic & biomolecular chemistry","2013","11","37","6328","6337","10.1039/c3ob40776d","","","0.71073","MoKα","","0.0629","0.0391","","","0.0959","0.1063","","","","","","1.033","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153065","10.1259","0.0011","11.1866","0.0013","15.4918","0.0017","102.087","0.002","91.163","0.002","105.935","0.002","1644.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H42 Cl12 N8 S2 -","- C66 H42 Cl12 N8 S2 -","- C66 H42 Cl12 N8 S2 -","1","0.5","","Ye, Qun; Chang, Jingjing; Huang, Kuo-Wei; Dai, Gaole; Chi, Chunyan","TCNQ-embedded heptacene and nonacene: synthesis, characterization and physical properties.","Organic & biomolecular chemistry","2013","11","37","6285","6291","10.1039/c3ob40796a","","","0.71073","MoKα","","0.0735","0.0535","","","0.1501","0.1632","","","","","","1.057","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153066","13.0937","0.0014","15.1874","0.0017","30.448","0.003","90","","98.319","0.003","90","","5991.2","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66.5 H30.5 Cl7.5 F12 N4 -","- C66.5 H30.5 Cl7.5 F12 N4 -","- C266 H122 Cl30 F48 N16 -","4","1","","Ye, Qun; Chang, Jingjing; Huang, Kuo-Wei; Dai, Gaole; Chi, Chunyan","TCNQ-embedded heptacene and nonacene: synthesis, characterization and physical properties.","Organic & biomolecular chemistry","2013","11","37","6285","6291","10.1039/c3ob40796a","","","0.71073","MoKα","","0.0973","0.0633","","","0.1644","0.185","","","","","","1.084","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153067","9.401","0.005","10.6","0.006","10.8","0.006","107.79","0.006","95.207","0.007","106.667","0.007","962.8","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 Br N0 O2 -","- C25 H17 Br O2 -","- C50 H34 Br2 O4 -","2","1","","Rao, Yin; Yin, Guodong","AgOTf-catalyzed reactions of naphthols/substituted phenols with 2-hydroxychalcones: facile synthesis of di-aromatic ring-fused [3.3.1]bicyclic compounds.","Organic & biomolecular chemistry","2013","11","36","6029","6035","10.1039/c3ob40860d","","","0.71073","MoKα","","0.0603","0.0472","","","0.1276","0.1352","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153068","13.5092","0.0005","8.1592","0.0003","19.6436","0.0008","90","","90","","90","","2165.2","0.14","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","t2-132","","","- C25 H22 F N5 O2 -","- C25 H22 F N5 O2 -","- C100 H88 F4 N20 O8 -","4","1","","Gunawan, Steven; Hulme, Christopher","Bifunctional building blocks in the Ugi-azide condensation reaction: a general strategy toward exploration of new molecular diversity.","Organic & biomolecular chemistry","2013","11","36","6036","6046","10.1039/c3ob40900g","","","0.71073","MoKα","","0.0431","0.0356","","","0.0835","0.0879","","","","","","1.024","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153069","11.6513","0.0011","10.1496","0.0009","14.4797","0.0014","90","","102.588","0.002","90","","1671.2","0.3","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 O5 -","- C21 H18 O5 -","- C84 H72 O20 -","4","1","","Xia, Likai; Lee, Yong Rok","A novel and efficient synthesis of diverse dihydronaphtho[1,2-b]furans using the ceric ammonium nitrate-catalyzed formal [3 + 2] cycloaddition of 1,4-naphthoquinones to olefins and its application to furomollugin.","Organic & biomolecular chemistry","2013","11","36","6097","6107","10.1039/c3ob40977e","","","0.71073","MoKα","","0.1596","0.0622","","","0.1185","0.1716","","","","","","0.97","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153070","18.757","0.002","10.025","0.0013","19.754","0.003","90","","114.543","0.003","90","","3378.9","0.8","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 O5 -","- C21 H18 O5 -","- C168 H144 O40 -","8","1","","Xia, Likai; Lee, Yong Rok","A novel and efficient synthesis of diverse dihydronaphtho[1,2-b]furans using the ceric ammonium nitrate-catalyzed formal [3 + 2] cycloaddition of 1,4-naphthoquinones to olefins and its application to furomollugin.","Organic & biomolecular chemistry","2013","11","36","6097","6107","10.1039/c3ob40977e","","","0.71073","MoKα","","0.1104","0.0501","","","0.1092","0.1676","","","","","","1.018","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153071","9.5013","0.0005","10.0576","0.0005","10.2659","0.0005","63.494","0.002","85.295","0.003","77.804","0.003","858","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 Br N4 S -","- C19 H15 Br N4 S -","- C38 H30 Br2 N8 S2 -","2","1","","Lukmantara, Adeline Y.; Kalinowski, Danuta S.; Kumar, Naresh; Richardson, Des R.","Structure-activity studies of 4-phenyl-substituted 2'-benzoylpyridine thiosemicarbazones with potent and selective anti-tumour activity.","Organic & biomolecular chemistry","2013","11","37","6414","6425","10.1039/c3ob41109e","","","0.71073","MoKα","","0.0321","0.0247","","","0.0588","0.0621","","","","","","1.064","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153072","9.5261","0.0012","9.785","0.0011","11.566","0.002","101.101","0.006","106.02","0.006","115.357","0.004","874.4","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N4 S -","- C20 H18 N4 S -","- C40 H36 N8 S2 -","2","1","","Lukmantara, Adeline Y.; Kalinowski, Danuta S.; Kumar, Naresh; Richardson, Des R.","Structure-activity studies of 4-phenyl-substituted 2'-benzoylpyridine thiosemicarbazones with potent and selective anti-tumour activity.","Organic & biomolecular chemistry","2013","11","37","6414","6425","10.1039/c3ob41109e","","","0.71073","MoKα","","0.0808","0.0419","","","0.0832","0.096","","","","","","1.026","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153073","8.574","0.004","17.686","0.005","18.241","0.006","65.791","0.016","85.89","0.02","83.18","0.02","2504.1","1.6","100","2","100","2","","","","","","","Adolf Gogoll","5","P -1","-P 1","2","","","","- C53.15 H62.3 N2 O8.05 S2 -","- C53.15 H62.3 N2 O8.05 S2 -","- C106.3 H124.6 N4 O16.1 S4 -","2","1","","Norrehed, Sara; Erdélyi, Máté; Light, Mark E.; Gogoll, Adolf","Protonation-triggered conformational modulation of an N,N'-dialkylbispidine: first observation of the elusive boat-boat conformer.","Organic & biomolecular chemistry","2013","11","37","6292","6299","10.1039/c3ob41122b","","","0.71075","MoKα","","0.2367","0.156","","","0.3119","0.3626","","","","","","1.149","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153074","9.0618","0.0012","11.3801","0.0015","12.3091","0.0016","73.216","0.002","85.2965","0.0019","67.465","0.002","1121.9","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H24 O6 -","- C28 H24 O6 -","- C56 H48 O12 -","2","1","","Song, Chuanling; Dong, Shuli; Feng, Lei; Peng, Xianglong; Wang, Mingchao; Wang, Jianwu; Xu, Zhenghu","Modular synthesis of all-substituted furans through oxidative carbonylation of cyclopropenes with tandem metal relay catalysis.","Organic & biomolecular chemistry","2013","11","37","6258","6262","10.1039/c3ob41155a","","","0.71073","MoKα","","0.0568","0.0396","","","0.0899","0.1012","","","","","","1.016","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153075","11.098","0.0005","6.7887","0.0004","15.8764","0.001","90","","98.064","0.005","90","","1184.32","0.12","296","1","296","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H24 N2 O S2 -","- C24 H24 N2 O S2 -","- C48 H48 N4 O2 S4 -","2","0.5","","Marco, A Belén; Andreu, Raquel; Franco, Santiago; Garín, Javier; Orduna, Jesús; Villacampa, Belén; Diosdado, Beatriz E.; López Navarrete, Juan T; Casado, Juan","Push-pull systems bearing a quinoid/aromatic thieno[3,2-b]thiophene moiety: synthesis, ground state polarization and second-order nonlinear properties.","Organic & biomolecular chemistry","2013","11","37","6338","6349","10.1039/c3ob41278d","","","0.71073","MoKα","","0.0892","0.0552","","","0.1259","0.1458","","","","","","1.011","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153076","8.3982","0.0004","25.3341","0.0019","17.1667","0.0011","90","","97.599","0.005","90","","3620.3","0.4","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N3 S2 -","- C20 H17 N3 S2 -","- C160 H136 N24 S16 -","8","2","","Marco, A Belén; Andreu, Raquel; Franco, Santiago; Garín, Javier; Orduna, Jesús; Villacampa, Belén; Diosdado, Beatriz E.; López Navarrete, Juan T; Casado, Juan","Push-pull systems bearing a quinoid/aromatic thieno[3,2-b]thiophene moiety: synthesis, ground state polarization and second-order nonlinear properties.","Organic & biomolecular chemistry","2013","11","37","6338","6349","10.1039/c3ob41278d","","","0.71073","MoKα","","0.1243","0.0654","","","0.1214","0.1487","","","","","","1.014","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153077","11.7899","0.0006","15.768","0.0007","15.298","0.0008","90","","90","","90","","2843.9","0.2","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","methyl 6-methyl-2-(6-methylpyridin-2-ylcarbamoyl)nicotinate","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C120 H120 N24 O24 -","8","2","","Gottschalk, Sven; Engelmann, Jörn; Rolla, Gabriele A.; Botta, Mauro; Parker, David; Mishra, Anurag","Comparative in vitro studies of MR imaging probes for metabotropic glutamate subtype-5 receptor targeting.","Organic & biomolecular chemistry","2013","11","36","6131","6141","10.1039/c3ob41297k","","","0.71073","MoKα","","0.0583","0.0422","","","0.1025","0.1198","","","","","","1.068","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153078","8.6627","0.0012","13.7443","0.0019","23.277","0.003","90","","90","","90","","2771.4","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 N2 O4 -","- C31 H36 N2 O4 -","- C124 H144 N8 O16 -","4","1","","Liu, Gang; Li, Jian; Qiu, Lin; Liu, Li; Xu, Guangyang; Ma, Bing; Sun, Jiangtao","Palladium-catalyzed carbenoid based N-H bond insertions: application to the synthesis of chiral α-amino esters.","Organic & biomolecular chemistry","2013","11","36","5998","6002","10.1039/c3ob41331d","","","0.71073","MoKα","","0.0611","0.0489","","","0.116","0.1232","","","","","","1.008","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153079","16.9366","0.0009","17.1465","0.0007","17.6534","0.0009","90","","109.578","0.006","90","","4830.2","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 N2 -","- C15 H12 N2 -","- C240 H192 N32 -","16","2","","Tang, Meng; Zhang, Wen; Kong, Yuanfang","DABCO-promoted synthesis of pyrazoles from tosylhydrazones and nitroalkenes.","Organic & biomolecular chemistry","2013","11","37","6250","6254","10.1039/c3ob41435c","","","0.7107","MoKα","","0.0932","0.0552","","","0.1252","0.1504","","","","","","0.981","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153080","9.7691","0.0004","9.7691","0.0004","39.742","0.003","90","","90","","120","","3284.7","0.3","173","2","173","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C26 H21 Br N2 O2 -","- C26 H21 Br N2 O2 -","- C156 H126 Br6 N12 O12 -","6","1","","Zhang, Han-Ming; Lv, Hui; Ye, Song","N-Heterocyclic carbene-catalyzed highly enantioselective synthesis of substituted dihydropyranopyrazolones.","Organic & biomolecular chemistry","2013","11","37","6255","6257","10.1039/c3ob41455h","","","0.71073","MoKα","","0.0426","0.0393","","","0.0856","0.0872","","","","","","1.15","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153085","8.4737","0.0003","16.6247","0.0005","28.3411","0.0009","90","","93.637","0.002","90","","3984.4","0.2","135","0.1","135","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H26 N4 O5 -","- C21 H26 N4 O5 -","- C168 H208 N32 O40 -","8","1","","Li, Xianghui; Jia, Yiming; Ren, Yi; Wang, Youjia; Hu, Jinchuan; Ma, Teng; Feng, Wen; Yuan, Lihua","Quadruply hydrogen-bonded heteroduplexes based on imide and urea units arrayed with ADDA/DAAD sequences.","Organic & biomolecular chemistry","2013","11","40","6975","6983","10.1039/c3ob40998h","","","0.7107","MoKα","","0.0532","0.0405","","","0.0927","0.1014","","","","","","1.026","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153086","3.8013","0.0007","11.882","0.003","13.31","0.004","90","","90.41","0.03","90","","601.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 F2 N2 -","- C16 H10 F2 N2 -","- C32 H20 F4 N4 -","2","0.5","","Chen, Zhengwang; Ye, Dongnai; Xu, Guohai; Ye, Min; Liu, Liangxian","Highly efficient synthesis of 2,5-disubstituted pyrazines from (Z)-β-haloenol acetates.","Organic & biomolecular chemistry","2013","11","39","6699","6702","10.1039/c3ob41164h","","","0.71073","MoKα","","0.1215","0.0599","","","0.1097","0.1392","","","","","","0.986","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153087","7.8405","0.0013","9.2163","0.0012","15.484","0.002","96.813","0.011","90.713","0.013","104.161","0.013","1076.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H20 N4 O -","- C29 H20 N4 O -","- C58 H40 N8 O2 -","2","1","","Berezin, Andrey A.; Constantinides, Christos P.; Mirallai, Styliana I.; Manoli, Maria; Cao, Levy L.; Rawson, Jeremy M.; Koutentis, Panayiotis A.","Synthesis and properties of imidazolo-fused benzotriazinyl radicals.","Organic & biomolecular chemistry","2013","11","39","6780","6795","10.1039/c3ob41169a","","","1.54184","CuKα","","0.061","0.0471","","","0.1211","0.1323","","","","","","1.028","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153088","7.8924","0.0008","11.3721","0.0009","13.2802","0.0012","96.019","0.007","90.262","0.008","96.237","0.008","1178.2","0.19","100.05","0.1","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H22 N5 -","- C32 H22 N5 -","- C64 H44 N10 -","2","1","","Berezin, Andrey A.; Constantinides, Christos P.; Mirallai, Styliana I.; Manoli, Maria; Cao, Levy L.; Rawson, Jeremy M.; Koutentis, Panayiotis A.","Synthesis and properties of imidazolo-fused benzotriazinyl radicals.","Organic & biomolecular chemistry","2013","11","39","6780","6795","10.1039/c3ob41169a","","","1.54184","CuKα","","0.0526","0.0452","","","0.1272","0.1357","","","","","","1.043","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153089","6.176","0.008","11.293","0.015","12.236","0.016","90","","90","","90","","853.4","1.9","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C40 H56 O4 -","2","1","","Wan, Wen; Ma, Guobin; Gao, Wei; Wang, Jing; Li, Lei; Rao, Shangqin; Zheng, Chunfang; Jiang, Haizhen; Deng, Hongmei; Hao, Jian","A facile total synthesis of drospirenone isomers containing 14β-hydrogen configuration.","Organic & biomolecular chemistry","2013","11","38","6597","6603","10.1039/c3ob41211c","","","0.71073","MoKα","","0.1648","0.0787","","","0.1571","0.1937","","","","","","0.896","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153090","7.2458","0.0009","7.571","0.0009","34.793","0.004","90","","90","","90","","1908.7","0.4","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O3 -","- C23 H30 O3 -","- C92 H120 O12 -","4","1","","Wan, Wen; Ma, Guobin; Gao, Wei; Wang, Jing; Li, Lei; Rao, Shangqin; Zheng, Chunfang; Jiang, Haizhen; Deng, Hongmei; Hao, Jian","A facile total synthesis of drospirenone isomers containing 14β-hydrogen configuration.","Organic & biomolecular chemistry","2013","11","38","6597","6603","10.1039/c3ob41211c","","","0.71073","MoKα","","0.0502","0.0374","","","0.0804","0.0871","","","","","","1.039","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153091","6.2123","0.0008","14.7435","0.0019","20.723","0.003","90","","90","","90","","1898","0.4","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O3 -","- C23 H30 O3 -","- C92 H120 O12 -","4","1","","Wan, Wen; Ma, Guobin; Gao, Wei; Wang, Jing; Li, Lei; Rao, Shangqin; Zheng, Chunfang; Jiang, Haizhen; Deng, Hongmei; Hao, Jian","A facile total synthesis of drospirenone isomers containing 14β-hydrogen configuration.","Organic & biomolecular chemistry","2013","11","38","6597","6603","10.1039/c3ob41211c","","","0.71073","MoKα","","0.0407","0.0351","","","0.0822","0.0858","","","","","","1.029","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153092","6.9415","0.0009","13.2918","0.0017","10.6904","0.0014","90","","96.511","0.002","90","","980","0.2","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H30 O3 -","- C24 H30 O3 -","- C48 H60 O6 -","2","1","","Wan, Wen; Ma, Guobin; Gao, Wei; Wang, Jing; Li, Lei; Rao, Shangqin; Zheng, Chunfang; Jiang, Haizhen; Deng, Hongmei; Hao, Jian","A facile total synthesis of drospirenone isomers containing 14β-hydrogen configuration.","Organic & biomolecular chemistry","2013","11","38","6597","6603","10.1039/c3ob41211c","","","0.71073","MoKα","","0.0401","0.0357","","","0.0873","0.0896","","","","","","1.487","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153093","8.6456","0.0003","20.4565","0.0005","9.964","0.0003","90","","105.672","0.004","90","","1696.71","0.09","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 I N O -","- C21 H14 I N O -","- C84 H56 I4 N4 O4 -","4","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.0524","0.0308","","","0.0663","0.0699","","","","","","0.987","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153094","15.674","0.0011","8.2808","0.0006","28.5842","0.0019","90","","101.695","0.001","90","","3633","0.4","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H13 Cl I N O -","- C21 H13 Cl I N O -","- C168 H104 Cl8 I8 N8 O8 -","8","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.033","0.0288","","","0.0751","0.0778","","","","","","1.052","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7153095","31.568","0.005","5.7418","0.0008","23.028","0.003","90","","105.641","0.003","90","","4019.4","1","297","2","297","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H12 Cl F3 I N O -","- C22 H12 Cl F3 I N O -","- C176 H96 Cl8 F24 I8 N8 O8 -","8","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.0748","0.037","","","0.073","0.0832","","","","","","0.979","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153096","6.8137","0.0003","10.3948","0.0005","24.8522","0.0012","90","","96.933","0.004","90","","1747.34","0.14","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 I N2 O3 -","- C19 H17 I N2 O3 -","- C76 H68 I4 N8 O12 -","4","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.0732","0.07","","","0.1984","0.1996","","","","","","1.288","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153097","5.356","0.0002","11.4646","0.0007","15.8424","0.001","107.043","0.006","96.345","0.004","98.308","0.004","908.22","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 F3 I N O -","- C20 H17 F3 I N O -","- C40 H34 F6 I2 N2 O2 -","2","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.0237","0.0201","","","0.048","0.0486","","","","","","1.013","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153098","6.6498","0.0004","20.2549","0.0011","14.0362","0.0008","90","","98.404","0.001","90","","1870.25","0.19","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 I N2 O3 Si -","- C18 H17 I N2 O3 Si -","- C72 H68 I4 N8 O12 Si4 -","4","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.0338","0.0276","","","0.0746","0.0786","","","","","","1.025","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153099","8.1298","0.0002","10.69","0.0003","11.1738","0.0003","80.375","0.002","87.307","0.002","73.916","0.002","919.94","0.04","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H13 F3 I N O -","- C22 H13 F3 I N O -","- C44 H26 F6 I2 N2 O2 -","2","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.0299","0.0243","","","0.0599","0.0611","","","","","","0.994","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153100","31.297","0.003","8.1567","0.0007","18.7872","0.0016","90","","119.988","0.002","90","","4154","0.6","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 N3 O3 -","- C26 H17 N3 O3 -","- C208 H136 N24 O24 -","8","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.0748","0.0431","","","0.1128","0.1319","","","","","","1.009","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7153101","12.0042","0.0003","14.4363","0.0003","12.433","0.0004","90","","106.177","0.003","90","","2069.28","0.1","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 N2 O4 -","- C27 H18 N2 O4 -","- C108 H72 N8 O16 -","4","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.066","0.0364","","","0.0674","0.0698","","","","","","1.182","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7153102","12.839","0.004","12.86","0.004","16.021","0.005","76.149","0.004","87.883","0.004","88.339","0.004","2566","1.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H74 Br6 Eu2 N6 O26 S2 -","- C76 H74 Br6 Eu2 N6 O26 S2 -","- C76 H74 Br6 Eu2 N6 O26 S2 -","1","0.5","","Yang, Yan-Ling; Wang, Ya-Wen; Duan, Dong-Zhu; Zhang, Ai-Jiang; Fang, Jian-Guo; Peng, Yu","Off-on-off fluorescent chemosensor for pH measurement with a terbium(iii) complex based on a tripodal salicylic-acid derivative.","Organic & biomolecular chemistry","2013","11","40","6960","6966","10.1039/c3ob41319e","","","0.71073","MoKα","","0.1028","0.0623","","","0.1417","0.1567","","","","","","0.932","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153103","12.838","0.002","12.867","0.002","16.039","0.003","76.149","0.002","87.85","0.002","88.362","0.002","2570.1","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H74 Br6 Gd2 N6 O26 S2 -","- C76 H74 Br6 Gd2 N6 O26 S2 -","- C76 H74 Br6 Gd2 N6 O26 S2 -","1","0.5","","Yang, Yan-Ling; Wang, Ya-Wen; Duan, Dong-Zhu; Zhang, Ai-Jiang; Fang, Jian-Guo; Peng, Yu","Off-on-off fluorescent chemosensor for pH measurement with a terbium(iii) complex based on a tripodal salicylic-acid derivative.","Organic & biomolecular chemistry","2013","11","40","6960","6966","10.1039/c3ob41319e","","","0.71073","MoKα","","0.0688","0.0443","","","0.0846","0.0907","","","","","","0.903","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153104","12.818","0.002","12.868","0.002","16.038","0.003","76.169","0.002","87.766","0.002","88.385","0.002","2566.2","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H74 Br6 N6 O26 S2 Tb2 -","- C76 H74 Br6 N6 O26 S2 Tb2 -","- C76 H74 Br6 N6 O26 S2 Tb2 -","1","0.5","","Yang, Yan-Ling; Wang, Ya-Wen; Duan, Dong-Zhu; Zhang, Ai-Jiang; Fang, Jian-Guo; Peng, Yu","Off-on-off fluorescent chemosensor for pH measurement with a terbium(iii) complex based on a tripodal salicylic-acid derivative.","Organic & biomolecular chemistry","2013","11","40","6960","6966","10.1039/c3ob41319e","","","0.71073","MoKα","","0.0674","0.0468","","","0.128","0.138","","","","","","0.858","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153105","9.1921","0.0013","14.0304","0.0018","9.0659","0.0013","90","","114.463","0.004","90","","1064.3","0.3","101","2","101","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C52 H64 O8 -","4","1","","Sanz, Xavier; Lee, Graham M.; Pubill-Ulldemolins, Cristina; Bonet, Amadeu; Gulyás, Henrik; Westcott, Stephen A.; Bo, Carles; Fernández, Elena","Metal-free borylative ring-opening of vinyl epoxides and aziridines.","Organic & biomolecular chemistry","2013","11","40","7004","7010","10.1039/c3ob41328d","","","0.71073","MoKα","","0.0627","0.0432","","","0.1009","0.1105","","","","","","1.041","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153106","6.1713","0.0001","12.5187","0.0003","19.7716","0.0005","90","","90","","90","","1527.49","0.06","150","","150","","","","","","","","total synthesis","4","P 2 21 21","P 2bc 2","18","","","","- C13 H18 N3 O6 -","- C13 H18 N3 O6 -","- C52 H72 N12 O24 -","4","1","","Glawar, Andreas F. G.; Jenkinson, Sarah F.; Newberry, Scott J.; Thompson, Amber L.; Nakagawa, Shinpei; Yoshihara, Akihide; Akimitsu, Kazuya; Izumori, Ken; Butters, Terry D.; Kato, Atsushi; Fleet, George W. J.","An approach to 8 stereoisomers of homonojirimycin from d-glucose via kinetic & thermodynamic azido-γ-lactones.","Organic & biomolecular chemistry","2013","11","40","6886","6899","10.1039/c3ob41334a","","","0.71073","MoKα","","0.0579","0.0395","","0.1036","0.0853","0.1036","","","","","","0.9854","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153107","7.36955","0.00008","8.40431","0.00011","24.1914","0.0003","90","","90","","90","","1498.32","0.03","150","","150","","","","","","","","total synthesis","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N3 O6 -","- C13 H19 N3 O6 -","- C52 H76 N12 O24 -","4","1","","Glawar, Andreas F. G.; Jenkinson, Sarah F.; Newberry, Scott J.; Thompson, Amber L.; Nakagawa, Shinpei; Yoshihara, Akihide; Akimitsu, Kazuya; Izumori, Ken; Butters, Terry D.; Kato, Atsushi; Fleet, George W. J.","An approach to 8 stereoisomers of homonojirimycin from d-glucose via kinetic & thermodynamic azido-γ-lactones.","Organic & biomolecular chemistry","2013","11","40","6886","6899","10.1039/c3ob41334a","","","1.54184","CuKα","","0.0246","0.024","","0.0623","0.0618","0.0623","","","","","","1.0121","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153108","9.6249","0.0018","9.9872","0.0019","26.39","0.005","90","","92.252","0.003","90","","2534.8","0.8","278","2","278","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Cl N6 O -","- C28 H25 Cl N6 O -","- C112 H100 Cl4 N24 O4 -","4","1","","Gordillo-Cruz, Raul E; Rentería-Gómez, Angel; Islas-Jácome, Alejandro; Cortes-García, Carlos J; Díaz-Cervantes, Erik; Robles, Juvencio; Gámez-Montaño, Rocío","Synthesis of 3-tetrazolylmethyl-azepino[4,5-b]indol-4-ones in two reaction steps: (Ugi-azide/N-acylation/SN2)/free radical cyclization and docking studies to a 5-Ht6 model.","Organic & biomolecular chemistry","2013","11","38","6470","6476","10.1039/c3ob41349g","","","0.71073","MoKα","","0.1875","0.0449","","","0.0416","0.0581","","","","","","0.736","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153109","14.1444","0.0014","15.9217","0.0016","16.094","0.0016","90","","112.638","0.002","90","","3345.2","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","peptide","","","- C35 H38 Br N5 O6.25 -","- C35 H38 Br N5 O6.125 -","- C140 H152 Br4 N20 O24.5 -","4","2","","Ramesh, Veera V. E.; Vijayadas, Kuruppanthara N.; Dhokale, Snehal; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Switching the H-bonding network of a foldamer by modulating the backbone chirality and constitutional ratio of amino acids.","Organic & biomolecular chemistry","2013","11","41","7072","7075","10.1039/c3ob41369a","","","0.71073","MoKα","","0.036","0.0316","","","0.0714","0.0872","","","","","","0.962","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153110","14.1383","0.0003","15.9256","0.0003","16.0775","0.0004","90","","112.556","0.001","90","","3343.11","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","peptide","","","- C35 H38 Br N5 O6 -","- C35 H38 Br N5 O6.125 -","- C140 H152 Br4 N20 O24.5 -","4","2","","Ramesh, Veera V. E.; Vijayadas, Kuruppanthara N.; Dhokale, Snehal; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Switching the H-bonding network of a foldamer by modulating the backbone chirality and constitutional ratio of amino acids.","Organic & biomolecular chemistry","2013","11","41","7072","7075","10.1039/c3ob41369a","","","0.71073","MoKα","","0.031","0.0265","","","0.0602","0.0615","","","","","","1.044","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153111","11.2385","0.0014","9.231","0.0011","32.8","0.004","90","","99.779","0.002","90","","3353.3","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","peptide","","","- C35 H38 Br N5 O6 -","- C35 H38 Br N5 O6 -","- C140 H152 Br4 N20 O24 -","4","2","","Ramesh, Veera V. E.; Vijayadas, Kuruppanthara N.; Dhokale, Snehal; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Switching the H-bonding network of a foldamer by modulating the backbone chirality and constitutional ratio of amino acids.","Organic & biomolecular chemistry","2013","11","41","7072","7075","10.1039/c3ob41369a","","","0.71073","MoKα","","0.0438","0.0402","","","0.0921","0.0942","","","","","","1.051","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153112","11.2356","0.0006","9.2098","0.0005","32.8244","0.0016","90","","99.774","0.002","90","","3347.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","peptide","","","- C35 H38 Br N5 O6 -","- C35 H38 Br N5 O6 -","- C140 H152 Br4 N20 O24 -","4","2","","Ramesh, Veera V. E.; Vijayadas, Kuruppanthara N.; Dhokale, Snehal; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Switching the H-bonding network of a foldamer by modulating the backbone chirality and constitutional ratio of amino acids.","Organic & biomolecular chemistry","2013","11","41","7072","7075","10.1039/c3ob41369a","","","0.71073","MoKα","","0.0329","0.0271","","","0.0516","0.0529","","","","","","0.987","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153113","17.229","0.003","8.704","0.0009","12.324","0.0012","90","","103.236","0.002","90","","1799","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F3 N O -","- C22 H18 F3 N O -","- C88 H72 F12 N4 O4 -","4","1","","Liu, Xiao; Xu, Xianxiu; Pan, Ling; Zhang, Qian; Liu, Qun","Efficient synthesis of trifluoromethylated cyclopentadienes/fulvenes/norbornenes from divinyl ketones.","Organic & biomolecular chemistry","2013","11","39","6703","6706","10.1039/c3ob41400k","","","0.71069","MoKα","","0.1328","0.0564","","","0.137","0.1696","","","","","","1.005","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153114","8.8865","0.0005","9.3125","0.0003","10.946","0.0005","90.733","0.003","112.772","0.005","97.43","0.004","826.26","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C38 H34 N6 O6 -","2","1","","Day, Jonathan; Uroos, Maliha; Castledine, Richard A.; Lewis, William; McKeever-Abbas, Ben; Dowden, James","Alkaloid inspired spirocyclic oxindoles from 1,3-dipolar cycloaddition of pyridinium ylides.","Organic & biomolecular chemistry","2013","11","38","6502","6509","10.1039/c3ob41415a","","","1.54184","CuKα","","0.0371","0.0346","","","0.0883","0.0903","","","","","","1.052","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153115","8.5537","0.0012","9.056","0.0014","16.2097","0.0017","83.982","0.011","81.361","0.011","67.758","0.014","1147.4","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 Br N2 O6 -","- C23 H27 Br N2 O6 -","- C46 H54 Br2 N4 O12 -","2","1","","Day, Jonathan; Uroos, Maliha; Castledine, Richard A.; Lewis, William; McKeever-Abbas, Ben; Dowden, James","Alkaloid inspired spirocyclic oxindoles from 1,3-dipolar cycloaddition of pyridinium ylides.","Organic & biomolecular chemistry","2013","11","38","6502","6509","10.1039/c3ob41415a","","","1.54184","CuKα","","0.1471","0.0804","","","0.1716","0.2241","","","","","","1.066","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153116","12.1265","0.0005","9.34","0.0003","21.7279","0.0007","90","","92.861","0.003","90","","2457.87","0.15","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N3 O6 S -","- C26 H25 N3 O6 S -","- C104 H100 N12 O24 S4 -","4","1","","Feng, Chengtao; Su, Ji-Hu; Yan, Yizhe; Guo, Fengfeng; Wang, Zhiyong","Cobalt-catalyzed oxidative [3 + 2] cycloaddition reactions: an efficient synthesis of pyrrolo- and imidazo-[2,1-a]isoquinolines.","Organic & biomolecular chemistry","2013","11","39","6691","6694","10.1039/c3ob41424h","","","0.71073","MoKα","","0.0838","0.0502","","","0.1073","0.1229","","","","","","1.023","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153117","7.7952","0.0016","13.733","0.003","21.171","0.004","90","","90","","90","","2266.4","0.8","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Br N O5 S -","- C23 H22 Br N O5 S -","- C92 H88 Br4 N4 O20 S4 -","4","1","","Zou, Gong-Feng; Pan, Feng; Liao, Wei-Wei","Lewis base catalyzed asymmetric substitution/Diels-Alder cascade reaction: a rapid and efficient construction of enantioenriched diverse tricyclic heterocycles.","Organic & biomolecular chemistry","2013","11","41","7080","7083","10.1039/c3ob41454j","","","0.71073","MoKα","","0.0475","0.0357","","","0.087","0.0922","","","","","","1.039","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153118","17.9074","0.0018","12.6049","0.0012","17.3136","0.0017","90","","109.254","0.002","90","","3689.5","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 F N O3 -","- C23 H18 F N O3 -","- C184 H144 F8 N8 O24 -","8","1","","Duan, Zhiqiang; Han, Jianlin; Qian, Ping; Zhang, Zirui; Wang, Yi; Pan, Yi","Enantioselective synthesis of 3-hydroxy oxindoles by ytterbium-catalysed decarboxylative addition of β-ketoacids to isatins.","Organic & biomolecular chemistry","2013","11","38","6456","6459","10.1039/c3ob41460d","","","0.71073","MoKα","","0.0769","0.0476","","","0.1064","0.1216","","","","","","1.034","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153119","5.8916","0.0004","9.9811","0.0006","14.272","0.0009","90","","90.639","0.001","90","","839.21","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Sugar","","","- C13 H19 Cl3 O6 -","- C13 H19 Cl3 O6 -","- C26 H38 Cl6 O12 -","2","1","","Vangala, Madhuri; Dhokale, Snehal A.; Gawade, Rupesh L.; Pattuparambil, Rajamohanan R.; Puranik, Vedavati G.; Dhavale, Dilip D.","Sugar furanoid trans-vicinal diacid as a γ-turn inducer: synthesis and conformational study.","Organic & biomolecular chemistry","2013","11","40","6874","6878","10.1039/c3ob41462k","","","0.71073","MoKα","","0.0255","0.0253","","","0.0651","0.0653","","","","","","1.139","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153120","9.7965","0.0006","10.618","0.0007","21.199","0.001","90","","90","","90","","2205.1","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Sugar","","","- C20 H26 N4 O6 -","- C20 H26 N4 O6 -","- C80 H104 N16 O24 -","4","1","","Vangala, Madhuri; Dhokale, Snehal A.; Gawade, Rupesh L.; Pattuparambil, Rajamohanan R.; Puranik, Vedavati G.; Dhavale, Dilip D.","Sugar furanoid trans-vicinal diacid as a γ-turn inducer: synthesis and conformational study.","Organic & biomolecular chemistry","2013","11","40","6874","6878","10.1039/c3ob41462k","","","0.71073","MoKα","","0.0564","0.0461","","","0.1064","0.1118","","","","","","1.063","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153121","11.245","0.002","12.063","0.003","13.951","0.003","90","","97.496","0.01","90","","1876.3","0.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O3 -","- C23 H19 N O3 -","- C92 H76 N4 O12 -","4","1","","Kinthada, Lakshmana K.; Ghosh, Santanu; De, Subhadip; Bhunia, Subhajit; Dey, Dhananjay; Bisai, Alakesh","Acid-catalyzed reactions of 3-hydroxy-2-oxindoles with electron-rich substrates: synthesis of 2-oxindoles with all-carbon quaternary center.","Organic & biomolecular chemistry","2013","11","40","6984","6993","10.1039/c3ob41482e","","","0.71073","MoKα","","0.1416","0.046","","","0.0997","0.1303","","","","","","0.839","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7153122","10.8852","0.0016","12.4799","0.0018","13.7493","0.0018","90","","103.481","0.005","90","","1816.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N O4 -","- C23 H17 N O4 -","- C92 H68 N4 O16 -","4","1","","Kinthada, Lakshmana K.; Ghosh, Santanu; De, Subhadip; Bhunia, Subhajit; Dey, Dhananjay; Bisai, Alakesh","Acid-catalyzed reactions of 3-hydroxy-2-oxindoles with electron-rich substrates: synthesis of 2-oxindoles with all-carbon quaternary center.","Organic & biomolecular chemistry","2013","11","40","6984","6993","10.1039/c3ob41482e","","","0.71073","MoKα","","0.0864","0.0513","","","0.1214","0.1388","","","","","","1.038","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7153123","6.7467","0.0004","12.811","0.0007","21.6174","0.0013","90","","90","","90","","1868.43","0.19","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N3 -","- C24 H21 N3 -","- C96 H84 N12 -","4","1","","Kinthada, Lakshmana K.; Ghosh, Santanu; De, Subhadip; Bhunia, Subhajit; Dey, Dhananjay; Bisai, Alakesh","Acid-catalyzed reactions of 3-hydroxy-2-oxindoles with electron-rich substrates: synthesis of 2-oxindoles with all-carbon quaternary center.","Organic & biomolecular chemistry","2013","11","40","6984","6993","10.1039/c3ob41482e","","","0.71073","MoKα","","0.155","0.0706","","","0.154","0.1849","","","","","","1.025","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7153124","8.7505","0.0005","10.8915","0.0006","15.6217","0.0007","90","","90","","90","","1488.84","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H0 N8 O4 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","","Wang, Wenjing; Xue, Jijun; Tian, Tian; Jiao, Yingdong; Li, Ying","The first asymmetric total synthesis of (+)-coriandrone A and B.","Organic & biomolecular chemistry","2013","11","39","6686","6690","10.1039/c3ob41497c","","","0.7107","MoKα","","0.0648","0.0501","","","0.1048","0.1157","","","","","","1.08","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153125","11.574","0.0003","12.0274","0.0003","13.1839","0.0006","104.872","0.0001","101.801","0.002","107.204","0.0001","1614.37","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H45 N9 O6 -","- C24 H33 N9 O6 -","- C48 H66 N18 O12 -","2","1","","Rosien, Jan-Ruven; Seichter, Wilhelm; Mazik, Monika","Trimethoxybenzene- and trimethylbenzene-based compounds bearing imidazole, indole and pyrrole groups as recognition units: synthesis and evaluation of the binding properties towards carbohydrates.","Organic & biomolecular chemistry","2013","11","38","6569","6579","10.1039/c3ob41540f","","","0.71073","MoKα","","0.0885","0.0794","","","0.2213","0.2285","","","","","","1.146","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153126","11.3964","0.0009","7.3357","0.0006","20.4793","0.0007","90","","103.585","0.005","90","","1664.2","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H14 Br N O3 -","- C19 H14 Br N O3 -","- C76 H56 Br4 N4 O12 -","4","2","","Biswas, Soumen; Jaiswal, Pradeep Kumar; Singh, Shivendra; Mobin, Shaikh M.; Samanta, Sampak","l-Proline catalyzed stereoselective synthesis of (E)-methyl-α-indol-2-yl-β-aryl/alkyl acrylates: easy access to substituted carbazoles, γ-carbolines and prenostodione.","Organic & biomolecular chemistry","2013","11","41","7084","7087","10.1039/c3ob41573b","","","0.71073","MoKα","","0.0988","0.0574","","","0.1295","0.1596","","","","","","1.026","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153127","9.3019","0.0005","16.7028","0.0018","20.7326","0.0014","90","","90","","90","","3221.2","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H15 N O4 -","- C19 H15 N O4 -","- C152 H120 N8 O32 -","8","1","","Biswas, Soumen; Jaiswal, Pradeep Kumar; Singh, Shivendra; Mobin, Shaikh M.; Samanta, Sampak","l-Proline catalyzed stereoselective synthesis of (E)-methyl-α-indol-2-yl-β-aryl/alkyl acrylates: easy access to substituted carbazoles, γ-carbolines and prenostodione.","Organic & biomolecular chemistry","2013","11","41","7084","7087","10.1039/c3ob41573b","","","0.71073","MoKα","","0.0743","0.0593","","","0.1613","0.1796","","","","","","1.062","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153128","11.82","0.003","8.1262","0.0018","18.945","0.003","90","","125.565","0.01","90","","1480.2","0.6","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","","Zou, Yong; Huang, Qi; Huang, Tong-Kun; Ni, Qing-Chun; Zhang, En-Sheng; Xu, Tian-Long; Yuan, Mu; Li, Jun","CuI/1,10-phen/PEG promoted decarboxylation of 2,3-diarylacrylic acids: synthesis of stilbenes under neutral and microwave conditions with an in situ generated recyclable catalyst.","Organic & biomolecular chemistry","2013","11","40","6967","6974","10.1039/c3ob41588k","","","0.71073","MoKα","","0.0667","0.0409","","","0.0981","0.1105","","","","","","1.034","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153129","6.6246","0.0016","8.867","0.003","9.748","0.003","107.355","0.007","91.179","0.005","95.669","0.007","543.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 I O -","- C12 H11 I O -","- C24 H22 I2 O2 -","2","1","","Gu, Xiangyong; Lu, Ping; Fan, Weigang; Li, Pixu; Yao, Yingming","Visible light photoredox atom transfer Ueno-Stork reaction.","Organic & biomolecular chemistry","2013","11","41","7088","7091","10.1039/c3ob41600c","","","0.7107","MoKα","","0.0406","0.0321","","","0.0765","0.082","","","","","","1.009","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153130","12.5002","0.0002","21.1067","0.0003","7.4487","0.0001","90","","105.576","0.002","90","","1893.08","0.05","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O5 -","- C22 H18 N2 O5 -","- C88 H72 N8 O20 -","4","1","","Guo, Rui; Li, Kang-Nan; Gong, Liu-Zhu","Catalytic cascade hydroalkoxylation/isomerization/[4 + 2] cycloaddition using enyne alcohols as latent dienes or dienophiles.","Organic & biomolecular chemistry","2013","11","39","6707","6712","10.1039/c3ob41611a","","","1.54184","CuKα","","0.0496","0.0439","","","0.1238","0.1295","","","","","","1.036","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153131","9.0858","0.0003","10.4482","0.0004","17.2738","0.0005","90","","90","","90","","1639.81","0.1","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","","Guo, Rui; Li, Kang-Nan; Gong, Liu-Zhu","Catalytic cascade hydroalkoxylation/isomerization/[4 + 2] cycloaddition using enyne alcohols as latent dienes or dienophiles.","Organic & biomolecular chemistry","2013","11","39","6707","6712","10.1039/c3ob41611a","","","0.71073","MoKα","","0.0679","0.0458","","","0.0882","0.098","","","","","","1.034","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153132","9.0802","0.0001","10.4402","0.0002","17.2659","0.0002","90","","90","","90","","1636.79","0.04","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","","Guo, Rui; Li, Kang-Nan; Gong, Liu-Zhu","Catalytic cascade hydroalkoxylation/isomerization/[4 + 2] cycloaddition using enyne alcohols as latent dienes or dienophiles.","Organic & biomolecular chemistry","2013","11","39","6707","6712","10.1039/c3ob41611a","","","1.54184","CuKα","","0.0275","0.0269","","","0.0737","0.0744","","","","","","1.033","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153133","7.5297","0.0008","15.7552","0.0016","12.3971","0.0016","90","","94.664","0.01","90","","1465.8","0.3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Br N4 -","- C18 H14 Br N4 -","- C72 H56 Br4 N16 -","4","1","","Ramesh, Subburethinam; Kr Ghosh, Suman; Nagarajan, Rajagopal","Copper catalyzed synthesis of fused benzimidazolopyrazine derivatives via tandem benzimidazole formation/annulation of δ-alkynyl aldehyde.","Organic & biomolecular chemistry","2013","11","44","7712","7720","10.1039/c3ob41044g","","","0.71073","MoKα","","0.1224","0.0614","","","0.0654","0.0843","","","","","","0.974","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153134","7.928","0.002","16.966","0.005","12.302","0.004","90","","93.429","0.005","90","","1651.7","0.8","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 -","- C23 H17 N3 -","- C92 H68 N12 -","4","1","","Ramesh, Subburethinam; Kr Ghosh, Suman; Nagarajan, Rajagopal","Copper catalyzed synthesis of fused benzimidazolopyrazine derivatives via tandem benzimidazole formation/annulation of δ-alkynyl aldehyde.","Organic & biomolecular chemistry","2013","11","44","7712","7720","10.1039/c3ob41044g","","","0.71073","MoKα","","0.0513","0.0441","","","0.1103","0.1168","","","","","","1.044","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153135","18.482","0.003","24.976","0.004","14.268","0.002","90","","108.136","0.002","90","","6259","1.7","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 N3 O0.5 -","- C20 H17 N3 O0.5 -","- C320 H272 N48 O8 -","16","2","","Ramesh, Subburethinam; Kr Ghosh, Suman; Nagarajan, Rajagopal","Copper catalyzed synthesis of fused benzimidazolopyrazine derivatives via tandem benzimidazole formation/annulation of δ-alkynyl aldehyde.","Organic & biomolecular chemistry","2013","11","44","7712","7720","10.1039/c3ob41044g","","","0.71073","MoKα","","0.1411","0.1048","","","0.3198","0.3499","","","","","","1.301","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153136","8.4365","0.0004","19.7096","0.0017","11.9702","0.0005","90","","91.556","0.003","90","","1989.7","0.2","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H62 F N3 O6 -","- C42 H62 F N3 O6 -","- C84 H124 F2 N6 O12 -","2","1","","Rosen, Christian B.; Hansen, Dennis J.; Gothelf, Kurt V.","Efficient colorimetric and fluorescent detection of fluoride in DMSO-water mixtures with arylaldoximes.","Organic & biomolecular chemistry","2013","11","45","7916","7922","10.1039/c3ob41078a","","","0.7107","MoKα","","0.041","0.0357","","","0.0798","0.083","","","","","","1.046","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153137","17.2054","0.0017","8.3014","0.0009","23.741","0.002","90","","96.687","0.004","90","","3367.8","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H54 F N3 O2 -","- C38 H54 F N3 O2 -","- C152 H216 F4 N12 O8 -","4","1","","Rosen, Christian B.; Hansen, Dennis J.; Gothelf, Kurt V.","Efficient colorimetric and fluorescent detection of fluoride in DMSO-water mixtures with arylaldoximes.","Organic & biomolecular chemistry","2013","11","45","7916","7922","10.1039/c3ob41078a","","","0.71073","MoKα","","0.1256","0.0568","","","0.1167","0.1418","","","","","","1.001","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153138","12.3869","0.0016","5.4576","0.0007","24.843","0.003","90","","101.217","0.002","90","","1647.4","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2,3-Dihydro-1H-benzo[g]pyrimido[1,2-a][1,8]naphthyridin-5-yl)(phenyl)methanone","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C88 H68 N12 O4 -","4","1","","Zhang, Yi-Chuan; Liu, Zhi-Cheng; Yang, Rui; Zhang, Ji-Hong; Yan, Sheng-Jiao; Lin, Jun","Regioselective construction of 1,3-diazaheterocycle fused [1,2-a][1,8]naphthyridine derivatives via cascade reaction of quinolines with heterocyclic ketene aminals: a joint experimental-computational approach.","Organic & biomolecular chemistry","2013","11","42","7276","7288","10.1039/c3ob41200h","","","0.71073","MoKα","","0.0699","0.0436","","","0.119","0.1325","","","","","","1.062","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153139","9.598","0.002","16.561","0.003","13.354","0.003","90","","98.05","0.03","90","","2101.7","0.8","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 O Se -","- C26 H24 N2 O Se -","- C104 H96 N8 O4 Se4 -","4","1","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.1979","0.062","","","0.1158","0.1581","","","","","","0.952","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7153140","12.197","0.002","13.572","0.003","13.886","0.003","90","","110.67","0.03","90","","2150.7","0.9","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N2 S2 -","- C26 H24 N2 S2 -","- C104 H96 N8 S8 -","4","0.5","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.1125","0.0523","","","0.1311","0.1814","","","","","","1.068","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153141","16.364","0.003","9.393","0.002","23.502","0.005","90","","103.82","0.03","90","","3507.8","1.3","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C88 H84 N2 O9 Se -","- C88 H84 N2 O9 Se -","- C176 H168 N4 O18 Se2 -","2","0.5","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.1224","0.0739","","","0.1891","0.214","","","","","","1.184","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153142","16.387","0.003","9.477","0.002","23.828","0.005","90","","103.58","0.03","90","","3597","1.3","295","","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H42 N O4 S -","- C44 H42 N O4 S -","- C176 H168 N4 O16 S4 -","4","1","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.1038","0.0974","","","0.2276","0.2313","","","","","","1.025","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153143","9.339","0.002","16.111","0.003","15.343","0.003","90","","104.1","0.03","90","","2239","0.8","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 Se2 -","- C26 H24 N2 Se2 -","- C104 H96 N8 Se8 -","4","1","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.1798","0.0608","","","0.1241","0.164","","","","","","0.935","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153144","10.8405","0.0007","9.3369","0.0004","23.9357","0.0016","90","","98.99","0.007","90","","2392.9","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 Cl2 N2 O2 -","- C27 H26 Cl2 N2 O2 -","- C108 H104 Cl8 N8 O8 -","4","1","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.0881","0.0481","","","0.1264","0.1358","","","","","","0.927","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153145","16.458","0.003","9.484","0.002","23.761","0.005","90","","103.26","0.03","90","","3609.9","1.3","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H42 N O4 Se -","- C44 H42 N O4 Se -","- C176 H168 N4 O16 Se4 -","4","1","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.0704","0.0617","","","0.1469","0.1518","","","","","","1.076","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153146","16.7348","0.001","9.889","0.0005","24.2605","0.0015","90","","100.045","0.006","90","","3953.3","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H43 Cl3 N4 O4 -","- C47 H43 Cl3 N4 O4 -","- C188 H172 Cl12 N16 O16 -","4","0.5","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.1146","0.0714","","","0.1521","0.1681","","","","","","1.035","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153147","5.8968","0.0007","21.674","0.002","12.1696","0.0013","90","","103.342","0.002","90","","1513.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 F3 O3 -","- C17 H15 F3 O3 -","- C68 H60 F12 O12 -","4","1","","Masusai, Chonticha; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat","A synthesis of γ-trifluoromethyl α,β-unsaturated γ-butyrolactones using CF(3)SiMe(3) as a trifluoromethylating agent.","Organic & biomolecular chemistry","2013","11","38","6650","6658","10.1039/c3ob41247d","","","0.71073","MoKα","","0.1709","0.1027","","","0.1932","0.2251","","","","","","1.091","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153148","17.239","0.011","12.975","0.008","12.221","0.007","90","","134.379","0.01","90","","1954","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 F3 O3 -","- C10 H9 F3 O3 -","- C80 H72 F24 O24 -","8","1","","Masusai, Chonticha; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat","A synthesis of γ-trifluoromethyl α,β-unsaturated γ-butyrolactones using CF(3)SiMe(3) as a trifluoromethylating agent.","Organic & biomolecular chemistry","2013","11","38","6650","6658","10.1039/c3ob41247d","","","0.71073","MoKα","","0.1909","0.1265","","","0.2795","0.2964","","","","","","0.96","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153149","11.177","0.0011","5.4737","0.0004","25.78","0.003","90","","100.299","0.009","90","","1551.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Cl N3 O2 -","- C17 H14 Cl N3 O2 -","- C68 H56 Cl4 N12 O8 -","4","1","","Nagarjuna Reddy, M.; Kumara Swamy, K. C.","Dual catalysis by Cu(i): facile single step click and intramolecular C-O bond formation leading to triazole tethered dihydrobenzodioxines/benzoxazines/benzoxathiines/benzodioxepines.","Organic & biomolecular chemistry","2013","11","42","7350","7360","10.1039/c3ob41332b","","","0.71073","MoKα","","0.1291","0.0599","","","0.1279","0.1575","","","","","","0.973","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153150","8.5356","0.0005","10.9149","0.0006","24.3049","0.0016","90","","95.72","0.006","90","","2253.1","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N4 O3 S -","- C24 H26 N4 O3 S -","- C96 H104 N16 O12 S4 -","4","1","","Nagarjuna Reddy, M.; Kumara Swamy, K. C.","Dual catalysis by Cu(i): facile single step click and intramolecular C-O bond formation leading to triazole tethered dihydrobenzodioxines/benzoxazines/benzoxathiines/benzodioxepines.","Organic & biomolecular chemistry","2013","11","42","7350","7360","10.1039/c3ob41332b","","","0.71073","MoKα","","0.088","0.0669","","","0.1784","0.1956","","","","","","1.028","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153151","6.0255","0.0006","10.3665","0.0011","13.6263","0.0014","92.903","0.009","97.168","0.008","94.666","0.008","840.1","0.15","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N4 O4 -","- C18 H16 N4 O4 -","- C36 H32 N8 O8 -","2","1","","Nagarjuna Reddy, M.; Kumara Swamy, K. C.","Dual catalysis by Cu(i): facile single step click and intramolecular C-O bond formation leading to triazole tethered dihydrobenzodioxines/benzoxazines/benzoxathiines/benzodioxepines.","Organic & biomolecular chemistry","2013","11","42","7350","7360","10.1039/c3ob41332b","","","0.71073","MoKα","","0.0794","0.0549","","","0.1378","0.1525","","","","","","1.055","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153152","8.4958","0.0006","11.6503","0.0008","18.9628","0.0014","90","","94.116","0.001","90","","1872.1","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N4 O3 S -","- C19 H20 N4 O3 S -","- C76 H80 N16 O12 S4 -","4","1","","Nagarjuna Reddy, M.; Kumara Swamy, K. C.","Dual catalysis by Cu(i): facile single step click and intramolecular C-O bond formation leading to triazole tethered dihydrobenzodioxines/benzoxazines/benzoxathiines/benzodioxepines.","Organic & biomolecular chemistry","2013","11","42","7350","7360","10.1039/c3ob41332b","","","0.71073","MoKα","","0.0519","0.0419","","","0.1218","0.1269","","","","","","1.073","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153153","10.8262","0.0003","12.7507","0.0004","14.1556","0.0004","86.54","0.001","68.923","0.002","65.63","0.002","1651.94","0.09","115","2","115","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H39 B N2 O6 -","- C39 H39 B N2 O6 -","- C78 H78 B2 N4 O12 -","2","1","","Brizet, Bertrand; Bernhard, Claire; Volkova, Yulia; Rousselin, Yoann; Harvey, Pierre D.; Goze, Christine; Denat, Franck","Boron functionalization of BODIPY by various alcohols and phenols.","Organic & biomolecular chemistry","2013","11","44","7729","7737","10.1039/c3ob41370e","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0681","0.0521","","","0.1073","0.1172","","","","","","1.068","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153154","12.698","0.0006","16.1029","0.0009","19.8555","0.0009","90","","98.257","0.005","90","","4017.9","0.3","202","2","202","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H51 Cl4 Fe N2 O2 -","- C37 H51 Cl3.97 Fe N2 O2 -","- C148 H204 Cl15.88 Fe4 N8 O8 -","4","1","","Xia, Chong-Liang; Xie, Cun-Fei; Wu, Yu-Feng; Sun, Hong-Mei; Shen, Qi; Zhang, Yong","Efficient cross-coupling of aryl Grignard reagents with alkyl halides by recyclable ionic iron(iii) complexes bearing a bis(phenol)-functionalized benzimidazolium cation.","Organic & biomolecular chemistry","2013","11","46","8135","8144","10.1039/c3ob41376d","","","0.71073","MoKα","","0.095","0.0667","","","0.1811","0.197","","","","","","1.055","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153155","10.364","0.003","11.468","0.003","19.427","0.005","93.341","0.002","99.459","0.006","115.939","0.006","2026","1","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H51 Br4 Fe N2 O2 -","- C37 H51 Br4 Fe N2 O2 -","- C74 H102 Br8 Fe2 N4 O4 -","2","1","","Xia, Chong-Liang; Xie, Cun-Fei; Wu, Yu-Feng; Sun, Hong-Mei; Shen, Qi; Zhang, Yong","Efficient cross-coupling of aryl Grignard reagents with alkyl halides by recyclable ionic iron(iii) complexes bearing a bis(phenol)-functionalized benzimidazolium cation.","Organic & biomolecular chemistry","2013","11","46","8135","8144","10.1039/c3ob41376d","","","0.71075","MoKα","","0.1221","0.0743","","","0.1964","0.2254","","","","","","1.051","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153156","61.2255","0.0018","14.4227","0.0004","21.9788","0.0007","90","","105.993","0.001","90","","18656.9","1","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H60 Cl8 Cu4 N12 O14 -","- C72 H60 Cl6 Cu4 N12 O6 -","- C576 H480 Cl48 Cu32 N96 O48 -","8","1","","Bencini, Andrea; Caddeo, Francesco; Caltagirone, Claudia; Garau, Alessandra; Hurstouse, Mike B.; Isaia, Francesco; Lampis, Sandrina; Lippolis, Vito; Lopez, Francesco; Meli, Valeria; Monduzzi, Maura; Mostallino, Maria Cristina; Murgia, Sergio; Puccioni, Stefano; Schmidt, Judith; Secci, Pietro Paolo; Talmon, Yeshayahu","An OFF-ON chemosensor for biological and environmental applications: sensing Cd(2+) in water using catanionic vesicles and in living cells.","Organic & biomolecular chemistry","2013","11","44","7751","7759","10.1039/c3ob41420e","","","0.71073","MoKα","","0.153","0.0926","","","0.2389","0.2701","","","","","","1.067","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153157","9.2625","0.001","16.6193","0.0018","23.112","0.003","102.761","0.002","100.394","0.002","90.159","0.002","3409.6","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H9 Br O3 -","- C13 H9 Br O3 -","- C156 H108 Br12 O36 -","12","6","","Wei, Enxiang; Liu, Bing; Lin, Shaoxia; Zhao, Baozhong; Liang, Fushun","Halonium-initiated double oxa-cyclization cascade as a synthetic strategy for halogenated furo[3,2-c]pyran-4-ones.","Organic & biomolecular chemistry","2013","11","41","7212","7217","10.1039/c3ob41526k","","","0.71073","MoKα","","0.1202","0.0789","","","0.2051","0.2269","","","","","","1.026","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7153158","7.7331","0.0012","11.849","0.002","15.25","0.003","90","","102.274","0.008","90","","1365.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 F3 I O5 -","- C11 H12 F3 I O5 -","- C44 H48 F12 I4 O20 -","4","1","","Ponomarenko, Maxim V.; Lummer, Katrin; Fokin, Andrey A.; Serguchev, Yurii A.; Bassil, Bassem S.; Röschenthaler, Gerd-Volker","Preparations of SF5- and CF3-substituted arenes utilizing the 7-oxabicyclo[2.2.1]hept-2-ene synthones.","Organic & biomolecular chemistry","2013","11","46","8103","8112","10.1039/c3ob41560k","","","0.71073","MoKα","","0.036","0.0282","","","0.0708","0.0779","","","","","","1.024","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153159","6.337","0.003","10.385","0.005","15.832","0.008","96.304","0.011","90.56","0.011","99.26","0.011","1021.7","0.9","173","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H7 F5 O S -","- C10 H7 F5 O S -","- C40 H28 F20 O4 S4 -","4","2","","Ponomarenko, Maxim V.; Lummer, Katrin; Fokin, Andrey A.; Serguchev, Yurii A.; Bassil, Bassem S.; Röschenthaler, Gerd-Volker","Preparations of SF5- and CF3-substituted arenes utilizing the 7-oxabicyclo[2.2.1]hept-2-ene synthones.","Organic & biomolecular chemistry","2013","11","46","8103","8112","10.1039/c3ob41560k","","","0.71073","MoKα","","0.0888","0.0731","","","0.1952","0.206","","","","","","1.002","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153160","12.367","0.003","9.325","0.002","7.9104","0.0019","90","","96.64","0.013","90","","906.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 F5 O S -","- C8 H7 F5 O S -","- C32 H28 F20 O4 S4 -","4","1","","Ponomarenko, Maxim V.; Lummer, Katrin; Fokin, Andrey A.; Serguchev, Yurii A.; Bassil, Bassem S.; Röschenthaler, Gerd-Volker","Preparations of SF5- and CF3-substituted arenes utilizing the 7-oxabicyclo[2.2.1]hept-2-ene synthones.","Organic & biomolecular chemistry","2013","11","46","8103","8112","10.1039/c3ob41560k","","","0.71073","MoKα","","0.0349","0.0313","","","0.0874","0.0911","","","","","","1.025","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153161","9.7943","0.0004","10.0856","0.0004","17.1604","0.0008","90","","90","","90","","1695.13","0.12","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (2S)-hydroxy-2-(2-oxo-(4R),(6R)-diphenyl-1,3,2-dioxaphosphorinan-2-yl) acetate","","- C18 H19 O6 P -","- C18 H19 O6 P -","- C72 H76 O24 P4 -","4","1","","Schiessl, Katharina; Roller, Alexander; Hammerschmidt, Friedrich","Determination of absolute configuration of the phosphonic acid moiety of fosfazinomycins.","Organic & biomolecular chemistry","2013","11","42","7420","7426","10.1039/c3ob41574k","","","0.71073","MoKα","","0.0322","0.0295","","","0.0814","0.0837","","","","","","1.018","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153162","10.9242","0.0003","9.473","0.0003","18.5505","0.0006","90","","94.287","0.002","90","","1914.33","0.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl (2R)-hydroxy-2-(2-oxo-(4R),(6R)-diphenyl-1,3,2-dioxaphosphorinan-2-yl) acetate","","- C18.5 H20 Cl O6 P -","- C18.5 H20 Cl O6 P -","- C74 H80 Cl4 O24 P4 -","4","2","","Schiessl, Katharina; Roller, Alexander; Hammerschmidt, Friedrich","Determination of absolute configuration of the phosphonic acid moiety of fosfazinomycins.","Organic & biomolecular chemistry","2013","11","42","7420","7426","10.1039/c3ob41574k","","","0.71073","MoKα","","0.0413","0.035","","","0.0866","0.0907","","","","","","1.022","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153163","6.9679","0.0003","19.054","0.0009","7.6683","0.0004","90","","93.428","0.002","90","","1016.27","0.08","147","2","147","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C44 H48 N4 O12 -","2","1","","Chin, Jik; Kwon, Soon Ho; Moozeh, Kimia; So, Soon Mog; Lough, Alan J.; Kim, B. Moon","Stereospecific synthesis of a twinned alanine ester.","Organic & biomolecular chemistry","2013","11","46","8022","8025","10.1039/c3ob41582a","","","1.54178","CuKα","","0.0306","0.0305","","","0.0761","0.0763","","","","","","1.067","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153164","5.8605","0.0001","11.8631","0.0002","14.0648","0.0003","73.426","0.001","83.068","0.001","82.104","0.001","924.9","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 N O5 -","- C21 H18 N O5 -","- C42 H36 N2 O10 -","2","1","","Bao, Yun-Hong; Zhu, Jia-Yi; Qin, Wen-Bing; Kong, Yu-Bo; Chen, Zheng-Wang; Tang, Shao-Bin; Liu, Liang-Xian","Cu(ii)-catalyzed highly regio- and stereoselective construction of C-C double bonds: an efficient method for the ketonization-olefination of indoles.","Organic & biomolecular chemistry","2013","11","45","7938","7945","10.1039/c3ob41589a","","","0.71073","MoKα","","0.0632","0.0527","","","0.1487","0.1598","","","","","","1.041","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153165","7.5669","0.0004","10.6356","0.0005","24.4275","0.0012","90","","97.345","0.002","90","","1949.76","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N2 O2 S2 -","- C22 H19 N O2 S2 -","- C88 H76 N4 O8 S8 -","4","1","","Prasad, Ch Durga; Kumar, Shailesh; Sattar, Moh; Adhikary, Amit; Kumar, Sangit","Metal free sulfenylation and bis-sulfenylation of indoles: persulfate mediated synthesis.","Organic & biomolecular chemistry","2013","11","46","8036","8040","10.1039/c3ob41601a","","","0.71073","MoKα","","0.0585","0.0419","","","0.1347","0.1476","","","","","","1.102","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153166","20.173","0.006","51.635","0.014","5.5236","0.0015","90","","90","","90","","5754","3","120","2","120","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C14 H12 N2 O2 S -","- C15 H13 N2 O2 S -","- C240 H208 N32 O32 S16 -","16","1","","Prasad, Ch Durga; Kumar, Shailesh; Sattar, Moh; Adhikary, Amit; Kumar, Sangit","Metal free sulfenylation and bis-sulfenylation of indoles: persulfate mediated synthesis.","Organic & biomolecular chemistry","2013","11","46","8036","8040","10.1039/c3ob41601a","","","0.71073","MoKα","","0.2406","0.0752","","","0.1652","0.2192","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153167","8.6242","0.0006","14.6111","0.001","9.004","0.0006","90","","115.147","0.001","90","","1027.05","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Methiodide of km1291","(N,N')-Bis-methyliodide adduct of (1S,2R)-2-(Methyl-pyridin-3-ylmethyl-amino)-1-phenyl-propan-1-ol","","- C18 H26 I2 N2 O -","- C18 H26 I2 N2 O -","- C36 H52 I4 N4 O2 -","2","1","","Vasiloiu, Maria; Leder, Sonja; Gaertner, Peter; Mereiter, Kurt; Bica, Katharina","Coordinating chiral ionic liquids.","Organic & biomolecular chemistry","2013","11","46","8092","8102","10.1039/c3ob41635f","","","0.71073","MoKα","","0.0211","0.0209","","","0.0523","0.0524","","","","","","1.041","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153168","10.2744","0.0009","10.3315","0.0009","20.5699","0.0017","103.339","0.002","93.337","0.002","91.687","0.002","2118.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H17 F3 N2 O2 S -","- C23 H17 F3 N2 O2 S -","- C92 H68 F12 N8 O8 S4 -","4","2","","Li, Yajun; Zhang, Lisi; Zhang, Li; Wu, Yongming; Gong, Yuefa","Cu-catalyzed tandem reactions of fluorinated alkynes with sulfonyl azides en route to 2-trifluoromethylquinolines.","Organic & biomolecular chemistry","2013","11","42","7267","7270","10.1039/c3ob41658e","","","0.71073","MoKα","","0.082","0.0516","","","0.1326","0.1494","","","","","","1.034","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153169","5.4244","0.0018","11.419","0.004","15.941","0.005","90","","99.108","0.013","90","","975","0.6","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O4 -","- C22 H28 O4 -","- C44 H56 O8 -","2","1","","Peng, Yu; Luo, Zhen-Biao; Zhang, Jian-Jian; Luo, Long; Wang, Ya-Wen","Collective synthesis of several 2,7'-cyclolignans and their correlation by chemical transformations.","Organic & biomolecular chemistry","2013","11","43","7574","7586","10.1039/c3ob41672k","","","0.71073","MoKα","","0.0773","0.0565","","","0.1355","0.1498","","","","","","0.993","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153170","8.1666","0.0008","12.3232","0.001","20.795","0.002","85.685","0.008","80.44","0.008","89.993","0.007","2057.7","0.3","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C44 H52 O13 -","- C44 H52 O13 -","- C88 H104 O26 -","2","1","","Peng, Yu; Luo, Zhen-Biao; Zhang, Jian-Jian; Luo, Long; Wang, Ya-Wen","Collective synthesis of several 2,7'-cyclolignans and their correlation by chemical transformations.","Organic & biomolecular chemistry","2013","11","43","7574","7586","10.1039/c3ob41672k","","","1.5418","CuKα","","0.1727","0.1125","","","0.2977","0.3393","","","","","","1.087","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153171","9.7403","0.0009","12.5649","0.0012","13.0243","0.0012","90.176","0.001","108.72","0.001","109.614","0.001","1411.1","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","(trans, Z)-Diethyl 4-benzoyl-2-((4-bromophenyl)imino)-5- (4-chlorophenyl)dihydrothiophene-3,3 (2H)-dicarboxylate","","- C29 H25 Br Cl N O5 S -","- C29 H25 Br Cl N O5 S -","- C58 H50 Br2 Cl2 N2 O10 S2 -","2","1","","Sun, Yongxian; Yang, Gaosheng; Chai, Zhuo; Mu, Xiaolong; Chai, Jun","AlCl3-promoted [3 + 2] annulation of cis-2,3-disubstituted cyclopropane 1,1-diesters with isothiocyanates: stereoselective synthesis of densely substituted 2-iminodihydrothiophenes.","Organic & biomolecular chemistry","2013","11","45","7859","7868","10.1039/c3ob41678j","","","0.71073","MoKα","","0.1012","0.0719","","","0.2435","0.2769","","","","","","0.984","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153172","11.6091","0.0005","9.1582","0.0004","17.528","0.0007","90","","95.152","0.001","90","","1856.02","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C76 H108 N4 O12 -","4","1","","Li, Ke; Wang, Cheng; Yin, Gang; Gao, Shuanhu","Construction of the basic skeleton of ophiobolin A and variecolin.","Organic & biomolecular chemistry","2013","11","43","7550","7558","10.1039/c3ob41693c","","","0.71073","MoKα","","0.0776","0.0669","","","0.2032","0.2189","","","","","","1.076","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153173","6.8219","0.0002","9.1724","0.0004","9.3248","0.0004","88.1107","0.0017","79.4709","0.0016","80.956","0.002","566.52","0.04","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C26 H36 O6 -","2","1","","Fenlon, Thomas W.; Jones, Michael W.; Adlington, Robert M.; Lee, Victor","Synthesis of rac-Lindenene via a thermally induced cyclopropanation reaction.","Organic & biomolecular chemistry","2013","11","46","8026","8029","10.1039/c3ob41716f","","","0.71073","MoKα","","0.075","0.059","","0.1182","0.1057","0.1182","","","","","","1.0019","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7153174","11.514","0.0002","7.3456","0.0001","14.5121","0.0003","90","","113.285","0.0008","90","","1127.42","0.03","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Fenlon, Thomas W.; Jones, Michael W.; Adlington, Robert M.; Lee, Victor","Synthesis of rac-Lindenene via a thermally induced cyclopropanation reaction.","Organic & biomolecular chemistry","2013","11","46","8026","8029","10.1039/c3ob41716f","","","0.71073","MoKα","","0.0479","0.0375","","0.0924","0.0892","0.0872","","","","","","0.988","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153175","4.979","0.005","10.064","0.011","19.859","0.019","90","","92.52","0.02","90","","994.1","1.8","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 F3 N3 O5 -","- C18 H22 F3 N3 O5 -","- C36 H44 F6 N6 O10 -","2","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","1.54187","CuKα","","","0.1283","","","","0.3614","","","","","","1.197","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153176","12.21","0.008","6.164","0.003","12.946","0.007","90","","99.737","0.012","90","","960.3","0.9","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C46 H44 N4 O6 -","2","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","1.54187","CuKα","","","0.034","","","","0.09","","","","","","0.977","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153177","19.58","0.02","5.868","0.005","19.289","0.017","90","","111.93","0.03","90","","2056","3","173","","173","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H24 N2 O3 -","- C24 H24 N2 O3 -","- C96 H96 N8 O12 -","4","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","1.54187","CuKα","","","0.0759","","","","0.2055","","","","","","1.031","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153178","10.185","0.007","8.422","0.005","12.404","0.008","90","","111.547","0.012","90","","989.6","1.1","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O3 -","- C24 H24 N2 O3 -","- C48 H48 N4 O6 -","2","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","1.54187","CuKα","","","0.0613","","","","0.1758","","","","","","1.046","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153179","24.538","0.015","5.643","0.005","11.947","0.009","90","","95.19","0.02","90","","1647","2","93","","93","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H17 F3 N2 O3 -","- C18 H17 F3 N2 O3 -","- C72 H68 F12 N8 O12 -","4","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","0.71075","MoKα","","","0.0695","","","","0.2148","","","","","","0.886","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153180","11.641","0.009","6.185","0.004","11.974","0.009","90","","104.942","0.018","90","","833","1","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 F3 N2 O3 -","- C18 H17 F3 N2 O3 -","- C36 H34 F6 N4 O6 -","2","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","0.71075","MoKα","","","0.0642","","","","0.1797","","","","","","1.074","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153181","7.735","0.002","14.242","0.004","16.353","0.004","90","","90","","90","","1801.5","0.8","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","0.71075","MoKα","","","0.0412","","","","0.0989","","","","","","0.896","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153182","13.223","0.004","13.332","0.003","17.956","0.004","91.021","0.006","91.959","0.004","114.349","0.008","2880.4","1.3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 F3 N2 O7 S -","- C28 H27 F3 N2 O7 S -","- C112 H108 F12 N8 O28 S4 -","4","2","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","0.71073","MoKα","","0.0942","0.0635","","","0.1683","0.2151","","","","","","1.069","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153183","11.1187","0.0013","11.1187","0.0013","22.218","0.003","90","","90","","120","","2378.7","0.5","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 31 2 1","P 31 2""","152","","","","- C28 H46 Br2 Fe N2 O5 -","- C28 H46 Br2 Fe N2 O5 -","- C84 H138 Br6 Fe3 N6 O15 -","3","0.5","","Plancq, Baptiste; Lafantaisie, Mathieu; Companys, Simon; Maroun, Cendrella; Ollevier, Thierry","Highly enantioselective iron(ii)-catalyzed opening reaction of aromatic meso-epoxides with indoles.","Organic & biomolecular chemistry","2013","11","43","7463","7466","10.1039/c3ob41782d","","","1.54178","CuKα","","0.072","0.0383","","","0.0563","0.0605","","","","","","1.003","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153184","7.392","0.0011","10.7494","0.0015","25.7003","0.0012","90","","90","","90","","2042.1","0.4","291","2","291","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cl F3 N3 O S2 -","- C18 H18 Cl F3 N3 O S2 -","- C72 H72 Cl4 F12 N12 O4 S8 -","4","1","","Mei, Haibo; Xie, Chen; Wu, Lingmin; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Asymmetric Mannich reactions of imidazo[2,1-b]thiazole-derived nucleophiles with (SS)-N-tert-butanesulfinyl (3,3,3)-trifluoroacetaldimine.","Organic & biomolecular chemistry","2013","11","46","8018","8021","10.1039/c3ob41785a","","","0.71073","MoKα","","0.0459","0.0425","","","0.0974","0.0979","","","","","","1.066","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153185","15.619","0.002","5.927","0.0008","22.055","0.003","90","","101.129","0.002","90","","2003.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O4 S2 -","- C20 H23 N O4 S2 -","- C80 H92 N4 O16 S8 -","4","1","","Zhang, Lingjuan; Xu, Xianxiu; Shao, Qiu-Rong; Pan, Ling; Liu, Qun","Tandem Michael addition/isocyanide insertion into the C-C bond: a novel access to 2-acylpyrroles and medium-ring fused pyrroles.","Organic & biomolecular chemistry","2013","11","42","7393","7399","10.1039/c3ob41793j","","","0.71069","MoKα","","0.0805","0.0463","","","0.1023","0.1162","","","","","","1.018","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153186","12.208","0.005","6.102","0.003","13.056","0.005","90","","111.438","0.007","90","","905.3","0.7","173","1","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H27 N O S -","- C18 H27 N O S -","- C36 H54 N2 O2 S2 -","2","1","","Bosque, Irene; Foubelo, Francisco; Gonzalez-Gomez, Jose C","A general protocol to afford enantioenriched linear homoprenylic amines.","Organic & biomolecular chemistry","2013","11","43","7507","7515","10.1039/c3ob41804a","","","0.71073","MoKα","","0.0476","0.0384","","","0.0785","0.0833","","","","","","1.003","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153187","13.458","0.003","15.458","0.003","18.938","0.004","90","","110.181","0.003","90","","3697.9","1.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H35 Br2 N3 O4 -","- C35 H23 Br2 N3 O2 -","- C140 H92 Br8 N12 O8 -","4","1","","Gerten, Anthony L.; Slade, Michael C.; Pugh, Kelsie M.; Stanley, Levi M.","Catalytic, enantioselective 1,3-dipolar cycloadditions of nitrile imines with methyleneindolinones.","Organic & biomolecular chemistry","2013","11","45","7834","7837","10.1039/c3ob41815d","","","0.71073","MoKα","","0.103","0.0661","","","0.2089","0.2335","","","","","","1.06","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153188","11.6106","0.0002","12.5495","0.0002","18.7424","0.0004","90","","90","","90","","2730.9","0.09","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C33 H30 O6 -","- C33 H30 O6 -","- C132 H120 O24 -","4","1","","Rodrigo, Sanjeewa K.; Powell, Israel V.; Coleman, Michael G.; Krause, Jeanette A.; Guan, Hairong","Efficient and regioselective nickel-catalyzed [2 + 2 + 2] cyclotrimerization of ynoates and related alkynes.","Organic & biomolecular chemistry","2013","11","44","7653","7657","10.1039/c3ob41872c","","","1.54178","CuKα","","0.0539","0.053","","","0.146","0.147","","","","","","1.028","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153189","11.3776","0.0002","15.959","0.0003","26.0724","0.0004","90","","90","","90","","4734.1","0.14","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H24 O6 -","- C30 H24 O6 -","- C240 H192 O48 -","8","1","","Rodrigo, Sanjeewa K.; Powell, Israel V.; Coleman, Michael G.; Krause, Jeanette A.; Guan, Hairong","Efficient and regioselective nickel-catalyzed [2 + 2 + 2] cyclotrimerization of ynoates and related alkynes.","Organic & biomolecular chemistry","2013","11","44","7653","7657","10.1039/c3ob41872c","","","1.54178","CuKα","","0.0454","0.0362","","","0.0924","0.0988","","","","","","1.029","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153190","10.807","0.0004","10.807","0.0004","40.306","0.003","90","","90","","90","","4707.4","0.4","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C26 H26 Br N3 O -","- C26 H26 Br N3 O -","- C208 H208 Br8 N24 O8 -","8","1","","Martínez-Muñoz, Aurora; Monge, David; Martín-Zamora, Eloísa; Marqués-López, Eugenia; Alvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M","Asymmetric organocatalytic Strecker-type reactions of aliphatic N,N-dialkylhydrazones.","Organic & biomolecular chemistry","2013","11","47","8247","8255","10.1039/c3ob41437j","","","0.71073","MoKα","","0.0492","0.0314","","","0.068","0.0741","","","","","","1.008","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153191","10.341","0.002","10.832","0.002","15.797","0.003","90","","100.2","0.03","90","","1741.5","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O5 S -","- C19 H17 N O5 S -","- C76 H68 N4 O20 S4 -","4","1","","Zhang, Lei; Yu, Hao; Yang, Zhilin; Liu, Honglei; Li, Zhen; Guo, Junhong; Xiao, Yumei; Guo, Hongchao","Phosphine-catalyzed [3 + 2] cycloaddition of Morita-Baylis-Hillman carbonates with sulfamate-derived cyclic imines.","Organic & biomolecular chemistry","2013","11","47","8235","8240","10.1039/c3ob41651h","","","0.71073","MoKα","","0.0568","0.0531","","","0.151","0.1585","","","","","","1.226","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153192","13.3513","0.0016","13.8685","0.0018","14.6594","0.0016","109.672","0.003","99.92","0.003","95.891","0.004","2479.7","0.5","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H64 N2 -","- C60 H64 N2 -","- C120 H128 N4 -","2","1","","Hibi, Daijiro; Kitabayashi, Kenichi; Shimizu, Akihiro; Umeda, Rui; Tobe, Yoshito","Synthesis and physical properties of zethrene derivatives bearing donor/acceptor substituents at 7,14-positions.","Organic & biomolecular chemistry","2013","11","47","8256","8261","10.1039/c3ob41674g","","","0.71075","MoKα","","0.1486","0.0763","","","0.1936","0.2516","","","","","","0.98","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153193","7.981","0.0002","8.997","0.0002","19.1833","0.0005","78.855","0.002","84.93","0.002","88.715","0.002","1346.17","0.06","291","2","291","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H25 N5 O5 -","- C32 H25 N5 O5 -","- C64 H50 N10 O10 -","2","2","","Liu, Jing-Xin; Zhou, Qing-Qing; Deng, Jin-Gen; Chen, Ying-Chun","An asymmetric normal-electron-demand aza-Diels-Alder reaction via trienamine catalysis.","Organic & biomolecular chemistry","2013","11","47","8175","8178","10.1039/c3ob41698d","","","1.54184","CuKα","","0.0361","0.034","","","0.0928","0.0954","","","","","","1.031","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153194","13.319","0.003","16.518","0.004","17.359","0.004","101.304","0.003","95.454","0.003","113.008","0.003","3384.1","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H130 F24 N4 O20 P4 -","- C108 H130 F24 N4 O20 P4 -","- C108 H130 F24 N4 O20 P4 -","1","0.5","","Ma, Ying-Xian; Han, Ying; Cao, Jing; Chen, Chuan-Feng","Complexation of a pentiptycene-derived trans-bis(crown ether) host with different terminally functionalized paraquat derivatives in solution and the solid state: a switchable complexation process controlled by potassium ions.","Organic & biomolecular chemistry","2013","11","47","8183","8190","10.1039/c3ob41700j","","","0.71073","MoKα","","0.1317","0.1017","","","0.2564","0.2749","","","","","","1.327","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153195","15.192","0.003","23.492","0.005","21.641","0.004","90","","105.57","0.03","90","","7440","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C124 H126 Br4 F24 N4 O20 P4 -","- C124 H126 Br4 F24 N4 O20 P4 -","- C248 H252 Br8 F48 N8 O40 P8 -","2","0.5","","Ma, Ying-Xian; Han, Ying; Cao, Jing; Chen, Chuan-Feng","Complexation of a pentiptycene-derived trans-bis(crown ether) host with different terminally functionalized paraquat derivatives in solution and the solid state: a switchable complexation process controlled by potassium ions.","Organic & biomolecular chemistry","2013","11","47","8183","8190","10.1039/c3ob41700j","","","0.71073","MoKα","","0.24","0.2053","","","0.5146","0.5444","","","","","","1.866","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153196","13","0.003","30.563","0.006","15.58","0.003","90","","112.39","0.03","90","","5724","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H116 F24 N4 O24 P4 -","- C104 H116 F24 N4 O24 P4 -","- C208 H232 F48 N8 O48 P8 -","2","0.5","","Ma, Ying-Xian; Han, Ying; Cao, Jing; Chen, Chuan-Feng","Complexation of a pentiptycene-derived trans-bis(crown ether) host with different terminally functionalized paraquat derivatives in solution and the solid state: a switchable complexation process controlled by potassium ions.","Organic & biomolecular chemistry","2013","11","47","8183","8190","10.1039/c3ob41700j","","","0.71073","MoKα","","0.1528","0.1379","","","0.4134","0.4314","","","","","","1.743","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153197","13.353","0.003","14.777","0.003","19.768","0.004","106.3","0.03","101.9","0.03","90.79","0.03","3652.6","1.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H140 F24 N4 O20 P4 -","- C128 H140 F24 N4 O20 P4 -","- C128 H140 F24 N4 O20 P4 -","1","0.5","","Ma, Ying-Xian; Han, Ying; Cao, Jing; Chen, Chuan-Feng","Complexation of a pentiptycene-derived trans-bis(crown ether) host with different terminally functionalized paraquat derivatives in solution and the solid state: a switchable complexation process controlled by potassium ions.","Organic & biomolecular chemistry","2013","11","47","8183","8190","10.1039/c3ob41700j","","","0.71073","MoKα","","0.2028","0.1466","","","0.3529","0.3759","","","","","","1.592","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153198","8.32","0.01","28.09","0.03","7.621","0.009","90","","115.891","0.012","90","","1602","3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H16 N0 O7 -","- C18 H16 O7 -","- C72 H64 O28 -","4","1","","Long, Lingliang; Zhou, Liping; Wang, Lin; Meng, Suci; Gong, Aihua; Du, Fengyi; Zhang, Chi","A coumarin-based fluorescent probe for biological thiols and its application for living cell imaging.","Organic & biomolecular chemistry","2013","11","47","8214","8220","10.1039/c3ob41741g","","","0.71073","MoKα","","0.0336","0.0308","","","0.0747","0.0768","","","","","","1.056","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153199","8.704","0.0003","10.8569","0.0003","11.589","0.0004","100.578","0.003","103.072","0.003","96.793","0.003","1033.93","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 F12 N4 O8 -","- C40 H34 F12 N4 O8 -","- C40 H34 F12 N4 O8 -","1","0.5","","de Aquino, Roney Anderson Nascimento; Modolo, Luzia Valentina; Alves, Rosemeire Brondi; de Fátima, Angelo","Synthesis, kinetic studies and molecular modeling of novel tacrine dimers as cholinesterase inhibitors.","Organic & biomolecular chemistry","2013","11","48","8395","8409","10.1039/c3ob41762j","","","0.71073","MoKα","","0.0773","0.0541","","","0.1299","0.1484","","","","","","1.038","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153200","9.7578","0.0002","11.2552","0.0003","11.8308","0.0003","115.403","0.002","97.181","0.002","106.9","0.002","1075.12","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 F12 N4 O8 -","- C46 H38 F12 N4 O8 -","- C46 H38 F12 N4 O8 -","1","0.5","","de Aquino, Roney Anderson Nascimento; Modolo, Luzia Valentina; Alves, Rosemeire Brondi; de Fátima, Angelo","Synthesis, kinetic studies and molecular modeling of novel tacrine dimers as cholinesterase inhibitors.","Organic & biomolecular chemistry","2013","11","48","8395","8409","10.1039/c3ob41762j","","","0.71073","MoKα","","0.0688","0.0493","","","0.1312","0.1412","","","","","","1.105","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153201","23.543","0.003","6.2775","0.0008","20.602","0.003","90","","114.078","0.002","90","","2779.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N4 O2 -","- C15 H16 N4 O2 -","- C120 H128 N32 O16 -","8","2","","Chen, Yunfeng; Zhou, Shilei; Ma, Shan; Liu, Wenqian; Pan, Zhiquan; Shi, Xiaodong","A facile synthesis of 5-amino-[1,2,3]triazolo[5,1-a]isoquinoline derivatives through copper-catalyzed cascade reactions.","Organic & biomolecular chemistry","2013","11","47","8171","8174","10.1039/c3ob41774c","","","0.71073","MoKα","","0.0543","0.0397","","","0.1154","0.1373","","","","","","1.046","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153202","7.2363","0.0014","8.068","0.0015","17.736","0.003","90","","113.78","0.007","90","","947.6","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 N5 -","- C11 H7 N5 -","- C44 H28 N20 -","4","1","","Chen, Yunfeng; Zhou, Shilei; Ma, Shan; Liu, Wenqian; Pan, Zhiquan; Shi, Xiaodong","A facile synthesis of 5-amino-[1,2,3]triazolo[5,1-a]isoquinoline derivatives through copper-catalyzed cascade reactions.","Organic & biomolecular chemistry","2013","11","47","8171","8174","10.1039/c3ob41774c","","","0.71073","MoKα","","0.0758","0.0596","","","0.1295","0.137","","","","","","1.201","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153203","11.1418","0.0008","7.1748","0.0005","12.9148","0.001","90","","105.564","0.001","90","","994.55","0.13","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 Br N3 O3 -","- C20 H20 Br N3 O3 -","- C40 H40 Br2 N6 O6 -","2","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0325","0.0297","","","0.0714","0.0725","","","","","","0.99","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153204","8.9732","0.0008","10.4292","0.0009","25.653","0.002","90","","90","","90","","2400.7","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Peptide","","","- C23 H32 N4 O5 -","- C23 H32 N4 O5 -","- C92 H128 N16 O20 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.1041","0.0502","","","0.1181","0.1394","","","","","","1.025","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153205","7.1599","0.0007","11.846","0.0011","25.16","0.002","90","","90","","90","","2134","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br N3 O4 -","- C21 H22 Br N3 O4 -","- C84 H88 Br4 N12 O16 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.1049","0.0749","","","0.1234","0.133","","","","","","1.203","","","","has coordinates,has disorder","180318","2020-10-21","18:00:00",""
"7153206","11.016","0.005","7.612","0.003","12.92","0.005","90","","102.13","0.007","90","","1059.2","0.8","297","2","297","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H17 Br F3 N3 O3 -","- C20 H17 Br F3 N3 O3 -","- C40 H34 Br2 F6 N6 O6 -","2","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0887","0.0469","","","0.0815","0.0954","","","","","","0.985","","","","has coordinates,has disorder","180318","2020-10-21","18:00:00",""
"7153207","12.842","0.0019","7.0231","0.001","13.3863","0.0019","90","","90.547","0.003","90","","1207.3","0.3","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 Br N3 O4 -","- C23 H26 Br N3 O4 -","- C46 H52 Br2 N6 O8 -","2","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.1592","0.1045","","","0.1381","0.1533","","","","","","1.203","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153208","8.547","0.005","9.694","0.005","22.943","0.012","90","","90","","90","","1900.9","1.8","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N2 O5 -","- C18 H24 N2 O5 -","- C72 H96 N8 O20 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.049","0.0479","","","0.1241","0.1257","","","","","","1.042","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153209","10.6231","0.0007","10.9569","0.0007","19.528","0.0012","90","","90","","90","","2273","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Peptide","","","- C24 H28 N2 O5 -","- C24 H28 N2 O5 -","- C96 H112 N8 O20 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0507","0.0402","","","0.0897","0.0946","","","","","","1.066","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153210","8.111","0.002","9.756","0.002","20.126","0.006","90","","90","","90","","1592.6","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N2 O5 -","- C16 H20 N2 O5 -","- C64 H80 N8 O20 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0405","0.0353","","","0.0796","0.0823","","","","","","1.031","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153211","7.4115","0.0004","16.548","0.0009","19.3577","0.0011","90","","90","","90","","2374.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 N2 O5 -","- C25 H34 N2 O5 -","- C100 H136 N8 O20 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0464","0.0442","","","0.1039","0.1054","","","","","","1.09","","","","has coordinates,has disorder","180318","2020-10-21","18:00:00",""
"7153212","8.3515","0.0008","9.6398","0.0009","22.979","0.002","90","","90","","90","","1850","0.3","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N2 O5 -","- C18 H24 N2 O5 -","- C72 H96 N8 O20 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0527","0.043","","","0.1081","0.115","","","","","","1.062","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153213","8.173","0.005","13.001","0.008","17.35","0.011","90","","90","","90","","1844","2","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0663","0.0488","","","0.1005","0.1084","","","","","","1.117","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7153214","9.7071","0.0002","11.1189","0.0002","18.7507","0.0003","81.223","0.001","76.878","0.001","72.985","0.001","1876.61","0.06","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H55 N O3 Si -","- C42 H55 N O3 Si -","- C84 H110 N2 O6 Si2 -","2","1","","Zhang, Yun-Xiao; Zhang, An-Qi; Tian, Jie-Sheng; Loh, Teck-Peng","Diastereoselective oxidative α-amination of aliphatic aldehydes catalyzed by iodine: synthesis of syn-γ-hydroxy-α-amino acetals.","Organic & biomolecular chemistry","2013","11","48","8387","8394","10.1039/c3ob42043d","","","0.71073","MoKα","","0.0461","0.0372","","","0.099","0.1094","","","","","","1.071","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153215","18.522","0.004","11.47","0.003","20.22","0.005","90","","90","","90","","4295.7","1.8","93","2","93","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H34 S4 -","- C20 H34 S4 -","- C160 H272 S32 -","8","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71073","MoKα","","0.0781","0.0467","","","0.1307","0.1693","","","","","","0.707","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153216","7.101","0.005","36.72","0.03","8.124","0.005","90","","97.633","0.015","90","","2100","3","125","","125","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C20 H34 S4 -","- C20 H34 S4 -","- C80 H136 S16 -","4","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71075","MoKα","","","0.0616","","","","0.2222","","","","","","1.163","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153217","23.528","0.007","9.944","0.003","10.012","0.004","90","","97.812","0.009","90","","2320.7","1.4","93","","93","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H38 S4 -","- C22 H38 S4 -","- C88 H152 S16 -","4","0.5","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71075","MoKα","","","0.0358","","","","0.1309","","","","","","0.613","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153218","10.897","0.004","10.212","0.004","19.565","0.006","90","","96.714","0.009","90","","2162.3","1.3","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 S4 -","- C20 H36 S4 -","- C80 H144 S16 -","4","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71075","MoKα","","","0.0503","","","","0.1212","","","","","","1.035","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153219","6.748","0.005","17.135","0.012","19.118","0.013","90","","92.551","0.019","90","","2208","3","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 S4 -","- C20 H36 S4 -","- C80 H144 S16 -","4","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","1.54187","CuKα","","","0.1106","","","","0.3265","","","","","","1.061","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153220","12.281","0.004","11.346","0.004","17.065","0.006","90","","92.239","0.009","90","","2376","1.4","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 S4 -","- C22 H40 S4 -","- C88 H160 S16 -","4","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71075","MoKα","","","0.0656","","","","0.2642","","","","","","0.807","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153221","23.971","0.008","9.904","0.003","9.922","0.003","90","","98.697","0.009","90","","2328.5","1.3","93","","93","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H40 S4 -","- C22 H40 S4 -","- C88 H160 S16 -","4","0.5","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71075","MoKα","","","0.045","","","","0.1126","","","","","","1.059","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153222","8.785","0.007","9.455","0.007","9.834","0.007","98.507","0.01","105.386","0.009","112.507","0.012","698.4","0.9","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H24 F4 -","- C14 H24 F4 -","- C28 H48 F8 -","2","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71075","MoKα","","","0.0914","","","","0.3114","","","","","","1.08","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153223","9.886","0.004","18.957","0.007","15.41","0.006","90","","102.154","0.014","90","","2823.2","1.9","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 F4 -","- C14 H24 F4 -","- C112 H192 F32 -","8","2","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","1.54187","CuKα","","","0.0524","","","","0.1564","","","","","","1.036","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153224","15.661","0.003","11.1268","0.0016","9.4295","0.0013","90","","94.714","0.005","90","","1637.6","0.5","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 F4 -","- C16 H28 F4 -","- C64 H112 F16 -","4","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","1.54187","CuKα","","","0.0505","","","","0.1249","","","","","","1.217","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153225","8.9168","0.0016","21.949","0.004","9.1106","0.0018","90","","114.469","0.008","90","","1622.9","0.5","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 F4 -","- C16 H28 F4 -","- C64 H112 F16 -","4","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71075","MoKα","","","0.0857","","","","0.2676","","","","","","1.024","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153758","10.979","0.004","10.814","0.004","16.912","0.006","90","","99.916","0.005","90","","1977.9","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","?acyl","4,5-dibromo-N-(3-(imidazo[1,2-a]pyrimidin-3-yl)-3-oxopropyl)-1H-pyrrole-2-carboxamide ?","","- C15 H12 Br2 Cl3 N5 O2 -","- C15 H12 Br2 Cl3 N5 O2 -","- C60 H48 Br8 Cl12 N20 O8 -","4","1","","Rasapalli, Sivappa; Kumbam, Venkatreddy; Dhawane, Abasaheb N.; Golen, James A.; Lovely, Carl J.; Rheingold, Arnold L.","Total syntheses of oroidin, hymenidin and clathrodin.","Organic & biomolecular chemistry","2013","11","25","4133","4137","10.1039/c3ob40668g","","","0.71073","MoKα","","0.0684","0.0449","","","0.0799","0.0899","","","","","","1.093","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153759","11.3351","0.0008","8.8693","0.0006","13.8303","0.0009","90","","97.095","0.001","90","","1379.77","0.16","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H33 F3 O9 -","- C29 H33 F3 O9 -","- C58 H66 F6 O18 -","2","1","","Nicolaou, Kyriacos C.; Valiulin, Roman A.","Synthesis and biological evaluation of new paclitaxel analogs and discovery of potent antitumor agents.","Organic & biomolecular chemistry","2013","11","25","4154","4163","10.1039/c3ob40654g","","","0.71073","MoKα","","0.0544","0.0469","","","0.1194","0.1275","","","","","","1.02","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153760","13.0117","0.0008","8.5712","0.0005","20.0486","0.0012","90","","99.543","0.001","90","","2205","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H56 N2 O13 -","- C45 H56 N2 O13 -","- C90 H112 N4 O26 -","2","1","","Nicolaou, Kyriacos C.; Valiulin, Roman A.","Synthesis and biological evaluation of new paclitaxel analogs and discovery of potent antitumor agents.","Organic & biomolecular chemistry","2013","11","25","4154","4163","10.1039/c3ob40654g","","","0.71073","MoKα","","0.0479","0.0405","","","0.1063","0.119","","","","","","1.061","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153761","12.9183","0.0017","8.5389","0.0012","19.772","0.003","90","","98.06","0.002","90","","2159.5","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H55 F N2 O12 -","- C45 H55 F N2 O12 -","- C90 H110 F2 N4 O24 -","2","1","","Nicolaou, Kyriacos C.; Valiulin, Roman A.","Synthesis and biological evaluation of new paclitaxel analogs and discovery of potent antitumor agents.","Organic & biomolecular chemistry","2013","11","25","4154","4163","10.1039/c3ob40654g","","","0.71073","MoKα","","0.0639","0.0506","","","0.1101","0.121","","","","","","1.022","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153762","16.388","0.008","10.033","0.005","28.031","0.014","90","","92.717","0.006","90","","4604","4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H57 N O15 -","- C43 H53 N O14 -","- C172 H212 N4 O56 -","4","2","","Nicolaou, Kyriacos C.; Valiulin, Roman A.","Synthesis and biological evaluation of new paclitaxel analogs and discovery of potent antitumor agents.","Organic & biomolecular chemistry","2013","11","25","4154","4163","10.1039/c3ob40654g","","","0.71073","MoKα","","0.3611","0.1245","","","0.2904","0.3775","","","","","","1.167","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153763","8.9076","0.0005","9.0591","0.0005","17.7228","0.001","97.88","0.001","103.75","0.001","102.067","0.001","1331.93","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cs2 N2 O7 S -","- C22 H30 Cs2 N2 O7 S -","- C44 H60 Cs4 N4 O14 S2 -","2","1","","Habata, Yoichi; Okeda, Yoko; Ikeda, Mari; Kuwahara, Shunsuke","The water-soluble argentivorous molecule: Ag(+)-π interactions in water.","Organic & biomolecular chemistry","2013","11","25","4265","4270","10.1039/c3ob40125a","","","0.71073","MoKα","","0.0287","0.0233","","","0.0621","0.0723","","","","","","1.134","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153764","7.399","0.003","9.641","0.005","12.392","0.006","95.954","0.008","96.675","0.008","96.258","0.008","866.7","0.7","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H40 Br4 N4 -","- C36 H40 Br4 N4 -","- C36 H40 Br4 N4 -","1","0.5","","Habata, Yoichi; Okeda, Yoko; Ikeda, Mari; Kuwahara, Shunsuke","The water-soluble argentivorous molecule: Ag(+)-π interactions in water.","Organic & biomolecular chemistry","2013","11","25","4265","4270","10.1039/c3ob40125a","","","0.71073","MoKα","","0.1281","0.0966","","","0.2542","0.2815","","","","","","1.022","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153765","10.0192","0.0009","10.1213","0.0009","11.659","0.0011","110.849","0.002","103.926","0.002","103.909","0.002","1000.74","0.16","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H52 N4 O8 -","- C44 H52 N4 O8 -","- C44 H52 N4 O8 -","1","0.5","","Habata, Yoichi; Okeda, Yoko; Ikeda, Mari; Kuwahara, Shunsuke","The water-soluble argentivorous molecule: Ag(+)-π interactions in water.","Organic & biomolecular chemistry","2013","11","25","4265","4270","10.1039/c3ob40125a","","","0.71073","MoKα","","0.0693","0.0529","","","0.1359","0.1477","","","","","","1.022","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153766","13.997","0.004","13.997","0.004","23.804","0.006","90","","90","","90","","4664","2","120","","120","","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C90 H106 Ag2 F6 N8 O23 S2 -","- C90 H104 Ag2 F6 N8 O23 S2 -","- C180 H208 Ag4 F12 N16 O46 S4 -","2","0.25","","Habata, Yoichi; Okeda, Yoko; Ikeda, Mari; Kuwahara, Shunsuke","The water-soluble argentivorous molecule: Ag(+)-π interactions in water.","Organic & biomolecular chemistry","2013","11","25","4265","4270","10.1039/c3ob40125a","","","0.71073","MoKα","","0.0721","0.056","","","0.1417","0.154","","","","","","1.118","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153767","9.835","0.0009","11.3859","0.0011","20.5315","0.0018","95.285","0.002","90.429","0.002","103.41","0.002","2225.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 N O2 S -","- C27 H25 N O2 S -","- C108 H100 N4 O8 S4 -","4","2","","Chen, Kai; Sun, Run; Xu, Qin; Wei, Yin; Shi, Min","Thermal induced intramolecular [2 + 2] cycloaddition of allene-ACPs.","Organic & biomolecular chemistry","2013","11","24","3949","3953","10.1039/c3ob40911b","","","0.71073","MoKα","","0.0676","0.0512","","","0.132","0.1452","","","","","","1.023","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153768","17.295","0.002","9.6616","0.0013","29.081","0.004","90","","99.435","0.003","90","","4793.6","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl N O2 S -","- C27 H26 Cl N O2 S -","- C216 H208 Cl8 N8 O16 S8 -","8","2","","Chen, Kai; Sun, Run; Xu, Qin; Wei, Yin; Shi, Min","Thermal induced intramolecular [2 + 2] cycloaddition of allene-ACPs.","Organic & biomolecular chemistry","2013","11","24","3949","3953","10.1039/c3ob40911b","","","0.71073","MoKα","","0.0989","0.0609","","","0.1492","0.1733","","","","","","1.023","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153769","9.222","0.001","10.052","0.0014","9.82","0.0012","90","","105.015","0.009","90","","879.23","0.19","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C38 H48 O8 -","2","1","","Miesch, Laurence; Welsch, Tania; Miesch, Michel","Stereoselective cross aldol condensation of bicyclo[3.2.0]alkanones.","Organic & biomolecular chemistry","2013","11","24","4025","4029","10.1039/c3ob40431e","","","0.71073","MoKα","","0.1163","0.0577","","","0.0884","0.1039","","","","","","1.02","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153770","10.901","0.003","5.9316","0.0018","30.312","0.009","90","","91.762","0.005","90","","1959.1","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Cl N4 O3 S -","- C21 H17 Cl N4 O3 S -","- C84 H68 Cl4 N16 O12 S4 -","4","1","","Niu, Xiaoyi; Yang, Bingchuan; Li, Yanqiu; Fang, Shuai; Huang, Zixiao; Xie, Caixia; Ma, Chen","A transition metal-free tandem process to pyridazinopyrido[3,2-f][1,4]thiazepine-diones via Smiles rearrangement.","Organic & biomolecular chemistry","2013","11","24","4102","4108","10.1039/c3ob40719e","","","0.71073","MoKα","","0.124","0.0558","","","0.1595","0.2185","","","","","","0.844","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7200143","13.7323","","13.655","","13.8872","","91.2324","","105.339","","135.775","","1663.08","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C24 H24 N16 Zn4 -","- C24 H24 N16 Zn4 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200144","16.6271","","16.6548","","16.7851","","109.485","","109.441","","108.625","","3615.54","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C48 H48 N32 Zn8 -","- C48 H48 N32 Zn8 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200145","26.8755","","26.9156","","16.5745","","90.0223","","89.9957","","119.88","","10395.7","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C144 H144 N96 Zn24 -","- C144 H144 N96 Zn24 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200146","18.5541","","18.5075","","18.6002","","60.4969","","60.5442","","60.3932","","4565.17","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C60 H60 N40 Zn10 -","- C60 H60 N40 Zn10 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200147","18.8838","","18.9879","","26.3157","","45.7259","","46.089","","83.987","","3297.57","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C48 H48 N32 Zn8 -","- C48 H48 N32 Zn8 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200148","23.764","","23.7638","","23.7639","","118.093","","118.093","","118.093","","4761.33","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C72 H72 N48 Zn12 -","- C72 H72 N48 Zn12 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200149","9.625","0.005","15.381","0.011","27.53","0.015","90","","90","","90","","4076","4","294","2","294","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C5 H12 Nd O10 -","- C5 H12 Nd O10 -","- C80 H192 Nd16 O160 -","16","0.5","","Zhu, Ping; Gu, Wen; Liu, Mei-Ling; Song, Hai-Bin; Liu, Xin; Gao, Yue-Qiang; Duan, Hong-Yue; Yan, Shi-Ping; Liao, Dai-Zheng","A family of 3D lanthanide oxalatosuccinate with rare structures: 3D host framework incorporating a 3D alkali metal guest lattice","CrystEngComm","2009","11","2","351","","10.1039/b804956d","","","0.71073","MoKα","","0.0226","0.0201","","","0.0476","0.049","","","","","","1.083","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200150","6.2366","0.0008","9.4082","0.0012","15.699","0.002","90","","93.103","0.002","90","","919.8","0.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 Gd Na O10 -","- C5 H6 Gd Na O10 -","- C20 H24 Gd4 Na4 O40 -","4","1","","Zhu, Ping; Gu, Wen; Liu, Mei-Ling; Song, Hai-Bin; Liu, Xin; Gao, Yue-Qiang; Duan, Hong-Yue; Yan, Shi-Ping; Liao, Dai-Zheng","A family of 3D lanthanide oxalatosuccinate with rare structures: 3D host framework incorporating a 3D alkali metal guest lattice","CrystEngComm","2009","11","2","351","","10.1039/b804956d","","","0.71073","MoKα","","0.0342","0.0312","","","0.0819","0.0837","","","","","","1.053","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200151","6.2755","0.0008","9.4656","0.0012","15.795","0.002","90","","93.158","0.002","90","","936.8","0.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 Eu Na O10 -","- C5 H6 Eu Na O10 -","- C20 H24 Eu4 Na4 O40 -","4","1","","Zhu, Ping; Gu, Wen; Liu, Mei-Ling; Song, Hai-Bin; Liu, Xin; Gao, Yue-Qiang; Duan, Hong-Yue; Yan, Shi-Ping; Liao, Dai-Zheng","A family of 3D lanthanide oxalatosuccinate with rare structures: 3D host framework incorporating a 3D alkali metal guest lattice","CrystEngComm","2009","11","2","351","","10.1039/b804956d","","","0.71073","MoKα","","0.0279","0.0238","","","0.0545","0.0559","","","","","","1.128","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200152","6.3","0.004","9.5","0.006","16.06","0.009","90","","92.978","0.008","90","","959.9","1","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 Na Nd O10 -","- C5 H2 Na Nd O10 -","- C20 H8 Na4 Nd4 O40 -","4","1","","Zhu, Ping; Gu, Wen; Liu, Mei-Ling; Song, Hai-Bin; Liu, Xin; Gao, Yue-Qiang; Duan, Hong-Yue; Yan, Shi-Ping; Liao, Dai-Zheng","A family of 3D lanthanide oxalatosuccinate with rare structures: 3D host framework incorporating a 3D alkali metal guest lattice","CrystEngComm","2009","11","2","351","","10.1039/b804956d","","","0.7107","MoKα","","0.0311","0.0257","","","0.077","0.0847","","","","","","0.657","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200153","6.21","0.004","9.381","0.005","15.633","0.009","90","","93.053","0.008","90","","909.4","0.9","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H6 N0 Na O10 Tb -","- C5 H2 Na O10 Tb -","- C20 H8 Na4 O40 Tb4 -","4","1","","Zhu, Ping; Gu, Wen; Liu, Mei-Ling; Song, Hai-Bin; Liu, Xin; Gao, Yue-Qiang; Duan, Hong-Yue; Yan, Shi-Ping; Liao, Dai-Zheng","A family of 3D lanthanide oxalatosuccinate with rare structures: 3D host framework incorporating a 3D alkali metal guest lattice","CrystEngComm","2009","11","2","351","","10.1039/b804956d","","","0.7107","MoKα","","0.0564","0.0467","","","0.0899","0.0949","","","","","","0.906","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200154","5.805","0.005","26.19","0.02","12.117","0.01","90","","91.596","0.014","90","","1841","3","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C40 H26 N4 O12 S Zn2 -","- C40 H24 N4 O12 S Zn2 -","- C80 H48 N8 O24 S2 Zn4 -","2","0.5","","Liu, Guang-Xiang; Huang, Rong-Yi; Huang, Liang-Fang; Kong, Xue-Jun; Ren, Xiao-Ming","Zn(ii) and Cu(ii) coordination polymers assembled from V-shaped tetracarboxylate ligands and N-donor ancillary ligands: syntheses, structures and properties","CrystEngComm","2009","11","4","643","","10.1039/b806297h","","","0.71073","MoKα","","0.1009","0.0718","","","0.1718","0.1825","","","","","","1.005","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200155","12.6202","0.0012","13.3522","0.0013","24.748","0.002","90","","97.028","0.001","90","","4138.9","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H26 F6 N4 O10 Zn2 -","- C43 H24 F6 N4 O10 Zn2 -","- C172 H96 F24 N16 O40 Zn8 -","4","1","","Liu, Guang-Xiang; Huang, Rong-Yi; Huang, Liang-Fang; Kong, Xue-Jun; Ren, Xiao-Ming","Zn(ii) and Cu(ii) coordination polymers assembled from V-shaped tetracarboxylate ligands and N-donor ancillary ligands: syntheses, structures and properties","CrystEngComm","2009","11","4","643","","10.1039/b806297h","","","0.71073","MoKα","","0.0418","0.0342","","","0.1015","0.1052","","","","","","1.002","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200156","23.337","0.0017","13.429","0.001","29.654","0.002","90","","108.503","0.001","90","","8812.9","1.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C93 H50 Cu3 F18 N6 O25 -","- C93 H50 Cu3 F18 N6 O25 -","- C372 H200 Cu12 F72 N24 O100 -","4","1","","Liu, Guang-Xiang; Huang, Rong-Yi; Huang, Liang-Fang; Kong, Xue-Jun; Ren, Xiao-Ming","Zn(ii) and Cu(ii) coordination polymers assembled from V-shaped tetracarboxylate ligands and N-donor ancillary ligands: syntheses, structures and properties","CrystEngComm","2009","11","4","643","","10.1039/b806297h","","","0.71073","MoKα","","0.0643","0.0445","","","0.1147","0.1235","","","","","","1.026","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200157","7.6241","0.001","15.4069","0.0019","25.531","0.003","90","","90","","90","","2999","0.6","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H19.08 Cu F6 N2 O9.54 -","- C29 H16 Cu F6 N2 O9.54 -","- C116 H64 Cu4 F24 N8 O38.16 -","4","1","","Liu, Guang-Xiang; Huang, Rong-Yi; Huang, Liang-Fang; Kong, Xue-Jun; Ren, Xiao-Ming","Zn(ii) and Cu(ii) coordination polymers assembled from V-shaped tetracarboxylate ligands and N-donor ancillary ligands: syntheses, structures and properties","CrystEngComm","2009","11","4","643","","10.1039/b806297h","","","0.71073","MoKα","","0.051","0.0391","","","0.0788","0.0839","","","","","","1.006","","","","has coordinates,has disorder","180332","2020-10-21","18:00:00",""
"7200158","19.1842","0.0019","43.462","0.004","15.4484","0.0015","90","","90","","90","","12881","2","296","2","296","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C31 H23.4 Cu2 N3 O12.7 S -","- C31 H18 Cu2 N3 O12.7 S -","- C496 H288 Cu32 N48 O203.2 S16 -","16","1","","Liu, Guang-Xiang; Huang, Rong-Yi; Huang, Liang-Fang; Kong, Xue-Jun; Ren, Xiao-Ming","Zn(ii) and Cu(ii) coordination polymers assembled from V-shaped tetracarboxylate ligands and N-donor ancillary ligands: syntheses, structures and properties","CrystEngComm","2009","11","4","643","","10.1039/b806297h","","","0.71073","MoKα","","0.0508","0.046","","","0.1258","0.1291","","","","","","1.067","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200159","19.619","0.0012","15.5116","0.001","13.2862","0.0008","90","","94.343","0.001","90","","4031.7","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H38 N4 O18 S Zn2 -","- C36 H18 N4 O18 S Zn2 -","- C144 H72 N16 O72 S4 Zn8 -","4","0.5","","Liu, Guang-Xiang; Huang, Rong-Yi; Huang, Liang-Fang; Kong, Xue-Jun; Ren, Xiao-Ming","Zn(ii) and Cu(ii) coordination polymers assembled from V-shaped tetracarboxylate ligands and N-donor ancillary ligands: syntheses, structures and properties","CrystEngComm","2009","11","4","643","","10.1039/b806297h","","","0.71073","MoKα","","0.0913","0.0774","","","0.203","0.2089","","","","","","1.185","","","","has coordinates,has disorder","180332","2020-10-21","18:00:00",""
"7200160","10.6423","0.0018","12.354","0.002","16.323","0.003","79.113","0.003","79.926","0.004","83.023","0.002","2066.3","0.6","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H66 Cd9 N2 O52 -","- C74 H66 Cd9 N2 O52 -","- C74 H66 Cd9 N2 O52 -","1","0.5","","Zang, Shuangquan; Su, Yang; Li, Yi-Zhi; Lin, Jianguo; Duan, Xianying; Meng, Qingjin; Gao, Song","Four 2D metal‒organic networks incorporating Cd-cluster SUBs: hydrothermal synthesis, structures and photoluminescent properties","CrystEngComm","2009","11","1","122","","10.1039/b806899b","","","0.71073","MoKα","","0.0805","0.0535","","","0.1036","0.1084","","","","","","1.108","","","","has coordinates,has disorder","180332","2020-10-21","18:00:00",""
"7200161","10.2134","0.0004","11.704","0.0005","12.3421","0.0005","79.72","0.001","79.268","0.001","72.608","0.001","1371.35","0.1","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H24 Cd2 N2 O11 -","- C28 H24 Cd2 N2 O11 -","- C56 H48 Cd4 N4 O22 -","2","1","","Zang, Shuangquan; Su, Yang; Li, Yi-Zhi; Lin, Jianguo; Duan, Xianying; Meng, Qingjin; Gao, Song","Four 2D metal‒organic networks incorporating Cd-cluster SUBs: hydrothermal synthesis, structures and photoluminescent properties","CrystEngComm","2009","11","1","122","","10.1039/b806899b","","","0.71073","MoKα","","0.0584","0.0479","","","0.116","0.1192","","","","","","1.14","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200162","10.1503","0.001","15.0272","0.0015","16.7597","0.0017","66.575","0.002","77.358","0.003","81.22","0.001","2282.6","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H35 Cd4 N2 O21 -","- C45 H35 Cd4 N2 O21 -","- C90 H70 Cd8 N4 O42 -","2","1","","Zang, Shuangquan; Su, Yang; Li, Yi-Zhi; Lin, Jianguo; Duan, Xianying; Meng, Qingjin; Gao, Song","Four 2D metal‒organic networks incorporating Cd-cluster SUBs: hydrothermal synthesis, structures and photoluminescent properties","CrystEngComm","2009","11","1","122","","10.1039/b806899b","","","0.71073","MoKα","","0.0837","0.0584","","","0.1297","0.135","","","","","","1.073","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200163","10.0622","0.0006","11.1733","0.0007","13.245","0.0008","89.417","0.001","75.185","0.001","76.937","0.001","1400.56","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 Cd2 N4 O9 -","- C30 H22 Cd2 N4 O9 -","- C60 H44 Cd4 N8 O18 -","2","1","","Zang, Shuangquan; Su, Yang; Li, Yi-Zhi; Lin, Jianguo; Duan, Xianying; Meng, Qingjin; Gao, Song","Four 2D metal‒organic networks incorporating Cd-cluster SUBs: hydrothermal synthesis, structures and photoluminescent properties","CrystEngComm","2009","11","1","122","","10.1039/b806899b","","","0.71073","MoKα","","0.0572","0.0358","","","0.0594","0.0643","","","","","","0.934","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200164","8.9463","0.0014","12.335","0.002","12.338","0.002","90","","105.704","0.003","90","","1310.7","0.4","290","2","290","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","3-Cyclohexyl-1H-isochromene-1-thione","","","- C15 H16 O S -","- C15 H16 O S -","- C60 H64 O4 S4 -","4","1","","Hathwar, Venkatesha R.; Manivel, P.; Nawaz Khan, F.; Guru Row, T. N.","Evaluation of intermolecular interactions in thioisocoumarin derivatives: the role of the sulfur atom in generating packing motifs","CrystEngComm","2009","11","2","284","291","10.1039/b807896c","","x-ray","0.71073","MoKα","","0.0785","0.0454","","","0.1055","0.1173","","","","","","1.014","","","","has coordinates","218398","2020-10-21","18:00:00",""
"7200165","7.4622","0.0008","12.2143","0.0012","14.4832","0.0015","81.027","0.002","83.319","0.002","85.407","0.002","1292.5","0.2","290","2","290","2","","","","","","","see text","4","P -1","-P 1","2","3-p-tolyl-1H-isochromene-1-thione","","","- C16 H12 O S -","- C16 H12 O S -","- C64 H48 O4 S4 -","4","2","","Hathwar, Venkatesha R.; Manivel, P.; Nawaz Khan, F.; Guru Row, T. N.","Evaluation of intermolecular interactions in thioisocoumarin derivatives: the role of the sulfur atom in generating packing motifs","CrystEngComm","2009","11","2","284","291","10.1039/b807896c","","x-ray","0.71073","MoKα","","0.088","0.0564","","","0.1251","0.1371","","","","","","1.033","","","","has coordinates","218398","2020-10-21","18:00:00",""
"7200166","7.5948","0.0014","10.988","0.002","15.526","0.003","90","","96.149","0.003","90","","1288.2","0.4","290","2","290","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","3-(4-methoxyphenyl)-1H-isochromene-1-thione","","","- C16 H12 O2 S -","- C16 H12 O2 S -","- C64 H48 O8 S4 -","4","1","","Hathwar, Venkatesha R.; Manivel, P.; Nawaz Khan, F.; Guru Row, T. N.","Evaluation of intermolecular interactions in thioisocoumarin derivatives: the role of the sulfur atom in generating packing motifs","CrystEngComm","2009","11","2","284","291","10.1039/b807896c","","x-ray","0.71073","MoKα","","0.0525","0.0383","","","0.096","0.1032","","","","","","1.03","","","","has coordinates","218398","2020-10-21","18:00:00",""
"7200167","4.0478","0.0006","13.5257","0.0019","19.18","0.003","90","","90","","90","","1050.1","0.3","290","2","290","2","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","3-(2- Furyl)-1H-isochromene-1-thione","","","- C13 H8 O2 S -","- C13 H8 O2 S -","- C52 H32 O8 S4 -","4","1","","Hathwar, Venkatesha R.; Manivel, P.; Nawaz Khan, F.; Guru Row, T. N.","Evaluation of intermolecular interactions in thioisocoumarin derivatives: the role of the sulfur atom in generating packing motifs","CrystEngComm","2009","11","2","284","291","10.1039/b807896c","","x-ray","0.71073","MoKα","","0.0401","0.0323","","","0.0702","0.0722","","","","","","1.085","","","","has coordinates","218398","2020-10-21","18:00:00",""
"7200168","3.8992","0.0005","15.2947","0.0018","19.007","0.002","90","","92.701","0.002","90","","1132.3","0.2","290","2","290","2","","","","","","","see text","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 O S -","- C15 H10 O S -","- C60 H40 O4 S4 -","4","1","","Hathwar, Venkatesha R.; Manivel, P.; Nawaz Khan, F.; Guru Row, T. N.","Evaluation of intermolecular interactions in thioisocoumarin derivatives: the role of the sulfur atom in generating packing motifs","CrystEngComm","2009","11","2","284","291","10.1039/b807896c","","x-ray","0.71073","MoKα","","0.1249","0.0752","","","0.1375","0.1519","","","","","","1.155","","","","has coordinates","218398","2020-10-21","18:00:00",""
"7200169","5.4076","0.001","8.536","0.002","21.321","0.004","90","","94.219","0.003","90","","981.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 N5 O4 P Zn -","- C6 H6 N5 O4 P Zn -","- C24 H24 N20 O16 P4 Zn4 -","4","1","","Yang, Wenbin; Lin, Xiang; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","In situ synthesis of 5-substituted-tetrazoles and metallosupramolecular co-ordination polymers","CrystEngComm","2009","11","1","67","","10.1039/b808496c","","","0.71073","MoKα","","0.0273","0.0255","","","0.0598","0.0607","","","","","","1.094","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200170","6.9577","0.0005","9.1474","0.0007","9.4756","0.0007","100.334","0.002","105.472","0.002","107.665","0.002","531.09","0.07","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H18 Cd N10 O10 P2 -","- C12 H18 Cd N10 O10 P2 -","- C12 H18 Cd N10 O10 P2 -","1","0.5","","Yang, Wenbin; Lin, Xiang; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","In situ synthesis of 5-substituted-tetrazoles and metallosupramolecular co-ordination polymers","CrystEngComm","2009","11","1","67","","10.1039/b808496c","","","0.71073","MoKα","","0.0177","0.0174","","","0.0456","0.0458","","","","","","1.06","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200171","7.148","0.0012","7.733","0.0013","8.6938","0.0015","88.434","0.003","89.527","0.003","80.241","0.002","473.42","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H20 N10 O6 Zn -","- C12 H20 N10 O6 Zn -","- C12 H20 N10 O6 Zn -","1","0.5","","Yang, Wenbin; Lin, Xiang; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","In situ synthesis of 5-substituted-tetrazoles and metallosupramolecular co-ordination polymers","CrystEngComm","2009","11","1","67","","10.1039/b808496c","","","0.71073","MoKα","","0.025","0.0247","","","0.0636","0.0638","","","","","","1.12","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200172","21.546","0.006","6.928","0.002","11.201","0.003","90","","95.737","0.005","90","","1663.6","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 N10 O6 Zn -","- C12 H16 N10 O6 Zn -","- C48 H64 N40 O24 Zn4 -","4","0.5","","Yang, Wenbin; Lin, Xiang; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","In situ synthesis of 5-substituted-tetrazoles and metallosupramolecular co-ordination polymers","CrystEngComm","2009","11","1","67","","10.1039/b808496c","","","0.71073","MoKα","","0.0357","0.0313","","","0.0795","0.0827","","","","","","1.049","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200173","21.403","0.003","6.9036","0.0009","11.1612","0.0014","90","","95.837","0.002","90","","1640.6","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 N10 Ni O6 -","- C12 H16 N10 Ni O6 -","- C48 H64 N40 Ni4 O24 -","4","0.5","","Yang, Wenbin; Lin, Xiang; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","In situ synthesis of 5-substituted-tetrazoles and metallosupramolecular co-ordination polymers","CrystEngComm","2009","11","1","67","","10.1039/b808496c","","","0.71073","MoKα","","0.0356","0.0301","","","0.0767","0.0801","","","","","","1.05","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200174","6.659","0.0008","8.1864","0.001","14.14","0.002","90","","90.398","0.002","90","","770.8","0.17","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H6 N2 O5 -","- C6 H6 N2 O5 -","- C24 H24 N8 O20 -","4","1","","Yang, Wenbin; Lin, Xiang; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","In situ synthesis of 5-substituted-tetrazoles and metallosupramolecular co-ordination polymers","CrystEngComm","2009","11","1","67","","10.1039/b808496c","","","0.71073","MoKα","","0.05","0.0313","","","0.07","0.0754","","","","","","1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200175","18.947","0.003","9.033","0.0014","9.4944","0.0014","90","","92.736","0.002","90","","1623.1","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H18 N2 O10 P2 -","- C10 H18 N2 O10 P2 -","- C40 H72 N8 O40 P8 -","4","1","","Yang, Wenbin; Lin, Xiang; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","In situ synthesis of 5-substituted-tetrazoles and metallosupramolecular co-ordination polymers","CrystEngComm","2009","11","1","67","","10.1039/b808496c","","","0.71073","MoKα","","0.0501","0.0453","","","0.118","0.124","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200176","9.896","0.002","10.256","0.002","11.128","0.002","89.64","0.03","73.71","0.03","82.42","0.03","1074","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H13 Cl2 F N2 O S2 -","- C22 H13 Cl2 F N2 O S2 -","- C44 H26 Cl4 F2 N4 O2 S4 -","2","1","","Jian, Fangfang; Zheng, Jian; Li, Yufeng; Wang, Jing","Novel ((3Z,5Z)-3,5-bis(phenylimino)-1,2-dithiolan-4-yl) and 3H-[1,2]dithiolo[3,4-b]quinolin-4(9H)-one heterocycles: an effective and facile green route","Green Chemistry","2009","11","2","215","","10.1039/b808949c","","","0.71073","MoKα","","0.0736","0.0482","","","0.1297","0.1461","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200177","6.3729","0.0013","12.941","0.003","13.413","0.003","108.64","0.03","96.27","0.03","96.96","0.03","1027.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H17 Br N2 O S2 -","- C23 H17 Br N2 O S2 -","- C46 H34 Br2 N4 O2 S4 -","2","1","","Jian, Fangfang; Zheng, Jian; Li, Yufeng; Wang, Jing","Novel ((3Z,5Z)-3,5-bis(phenylimino)-1,2-dithiolan-4-yl) and 3H-[1,2]dithiolo[3,4-b]quinolin-4(9H)-one heterocycles: an effective and facile green route","Green Chemistry","2009","11","2","215","","10.1039/b808949c","","","0.71073","MoKα","","0.1315","0.0945","","","0.2769","0.3118","","","","","","1.042","","","","has coordinates,has disorder","180332","2020-10-21","18:00:00",""
"7200178","11.497","0.002","7.537","0.0015","22.384","0.005","90","","103.64","0.03","90","","1884.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H13 Cl N2 O S2 -","- C22 H13 Cl N2 O S2 -","- C88 H52 Cl4 N8 O4 S8 -","4","1","","Jian, Fangfang; Zheng, Jian; Li, Yufeng; Wang, Jing","Novel ((3Z,5Z)-3,5-bis(phenylimino)-1,2-dithiolan-4-yl) and 3H-[1,2]dithiolo[3,4-b]quinolin-4(9H)-one heterocycles: an effective and facile green route","Green Chemistry","2009","11","2","215","","10.1039/b808949c","","","0.71073","MoKα","","0.1159","0.0536","","","0.1404","0.17","","","","","","1.013","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200179","10.084","0.002","10.331","0.002","10.414","0.002","87.6","0.03","85.58","0.03","78.1","0.03","1058.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H14 Cl2 N2 O S2 -","- C22 H14 Cl2 N2 O S2 -","- C44 H28 Cl4 N4 O2 S4 -","2","1","","Jian, Fangfang; Zheng, Jian; Li, Yufeng; Wang, Jing","Novel ((3Z,5Z)-3,5-bis(phenylimino)-1,2-dithiolan-4-yl) and 3H-[1,2]dithiolo[3,4-b]quinolin-4(9H)-one heterocycles: an effective and facile green route","Green Chemistry","2009","11","2","215","","10.1039/b808949c","","","0.71073","MoKα","","0.1616","0.0668","","","0.1577","0.2053","","","","","","0.965","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200180","18.991","0.004","9.987","0.002","24.707","0.005","90","","100.697","0.003","90","","4604.6","1.6","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 Au2 Cd N6 O2 -","- C19 H16 Au2 Cd N6 O2 -","- C152 H128 Au16 Cd8 N48 O16 -","8","1","","Guo, Yang; Liu, Zhan-Quan; Zhao, Bin; Feng, Yu-Hua; Xu, Gong-Feng; Yan, Shi-Ping; Cheng, Peng; Wang, Qing-Lun; Liao, Dai-Zheng","Two [Au(CN)2]−-bridged heterometallic coordination polymers directed by different 2,2′-bipyridyl-like ligands","CrystEngComm","2009","11","1","61","","10.1039/b809381d","","","0.71073","MoKα","","0.0963","0.0636","","","0.153","0.1705","","","","","","1.03","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200181","8.9349","0.0019","8.9349","0.0019","19.992","0.004","90","","90","","120","","1382.2","0.5","294","2","294","2","","","","","","","","5","P 31 1 2","P 31 2 (0 0 4)","151","","","","- C14 H8 Au2 Cd N6 -","- C14 H8 Au2 Cd N6 -","- C42 H24 Au6 Cd3 N18 -","3","0.5","","Guo, Yang; Liu, Zhan-Quan; Zhao, Bin; Feng, Yu-Hua; Xu, Gong-Feng; Yan, Shi-Ping; Cheng, Peng; Wang, Qing-Lun; Liao, Dai-Zheng","Two [Au(CN)2]−-bridged heterometallic coordination polymers directed by different 2,2′-bipyridyl-like ligands","CrystEngComm","2009","11","1","61","","10.1039/b809381d","","","0.71073","MoKα","","0.0555","0.0346","","","0.0589","0.0654","","","","","","0.968","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200182","23.9993","0.0019","10.2755","0.0008","7.4265","0.0007","90","","90","","90","","1831.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C4 H16 Mn2 N18 O7 -","- C4 H16 Mn2 N18 O7 -","- C16 H64 Mn8 N72 O28 -","4","1","","Lin, Jiao-Min; Huang, Bei-Shu; Guan, Yang-Fan; Liu, Zhao-Qing; Wang, Dong-Yao; Dong, Wen","Syntheses, structures and properties of seven H2BTA coordinating 3-D metallic complexes containing 0-, 1-, 2-, and 3-D frameworks (H2BTA = bis(tetrazolyl)amine)","CrystEngComm","2009","11","2","329","","10.1039/b809415b","","","0.71073","MoKα","","0.0218","0.0211","","","0.0601","0.0605","","","","","","1","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200183","9.476","0.0012","9.4375","0.0011","8.2912","0.001","90","","109.035","0.007","90","","700.94","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 Co N18 Na2 O2 -","- C4 H6 Co N18 Na2 O2 -","- C8 H12 Co2 N36 Na4 O4 -","2","0.5","","Lin, Jiao-Min; Huang, Bei-Shu; Guan, Yang-Fan; Liu, Zhao-Qing; Wang, Dong-Yao; Dong, Wen","Syntheses, structures and properties of seven H2BTA coordinating 3-D metallic complexes containing 0-, 1-, 2-, and 3-D frameworks (H2BTA = bis(tetrazolyl)amine)","CrystEngComm","2009","11","2","329","","10.1039/b809415b","","","0.71073","MoKα","","0.0281","0.0245","","","0.0621","0.0644","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200184","6.3962","0.0001","9.2177","0.0002","14.241","0.0003","90","","93.831","0.001","90","","837.75","0.03","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H5 Cu N9 O2 -","- C2 H5 Cu N9 O2 -","- C8 H20 Cu4 N36 O8 -","4","1","","Lin, Jiao-Min; Huang, Bei-Shu; Guan, Yang-Fan; Liu, Zhao-Qing; Wang, Dong-Yao; Dong, Wen","Syntheses, structures and properties of seven H2BTA coordinating 3-D metallic complexes containing 0-, 1-, 2-, and 3-D frameworks (H2BTA = bis(tetrazolyl)amine)","CrystEngComm","2009","11","2","329","","10.1039/b809415b","","","0.71073","MoKα","","0.0297","0.0274","","","0.074","0.0755","","","","","","1.077","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200185","11.3207","0.0003","13.0862","0.0004","15.3142","0.0004","90","","102.104","0.002","90","","2218.28","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 Co2 N54 O9 -","- C12 H28 Co2 N54 O9 -","- C24 H56 Co4 N108 O18 -","2","0.5","","Lin, Jiao-Min; Huang, Bei-Shu; Guan, Yang-Fan; Liu, Zhao-Qing; Wang, Dong-Yao; Dong, Wen","Syntheses, structures and properties of seven H2BTA coordinating 3-D metallic complexes containing 0-, 1-, 2-, and 3-D frameworks (H2BTA = bis(tetrazolyl)amine)","CrystEngComm","2009","11","2","329","","10.1039/b809415b","","","0.71073","MoKα","","0.0493","0.0423","","","0.1144","0.1197","","","","","","1.074","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200186","6.4026","0.0007","9.7202","0.0009","10.5861","0.0009","90","","95.079","0.005","90","","656.23","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H3 Mn N9 O -","- C2 H3 Mn N9 O -","- C8 H12 Mn4 N36 O4 -","4","1","","Lin, Jiao-Min; Huang, Bei-Shu; Guan, Yang-Fan; Liu, Zhao-Qing; Wang, Dong-Yao; Dong, Wen","Syntheses, structures and properties of seven H2BTA coordinating 3-D metallic complexes containing 0-, 1-, 2-, and 3-D frameworks (H2BTA = bis(tetrazolyl)amine)","CrystEngComm","2009","11","2","329","","10.1039/b809415b","","","0.71073","MoKα","","0.0298","0.028","","","0.071","0.0718","","","","","","1.081","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200187","9.4412","0.0002","9.6151","0.0002","8.6398","0.0002","90","","108.874","0.002","90","","742.13","0.03","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 Mn N18 Na2 O2 -","- C4 H6 Mn N18 Na2 O2 -","- C8 H12 Mn2 N36 Na4 O4 -","2","0.5","","Lin, Jiao-Min; Huang, Bei-Shu; Guan, Yang-Fan; Liu, Zhao-Qing; Wang, Dong-Yao; Dong, Wen","Syntheses, structures and properties of seven H2BTA coordinating 3-D metallic complexes containing 0-, 1-, 2-, and 3-D frameworks (H2BTA = bis(tetrazolyl)amine)","CrystEngComm","2009","11","2","329","","10.1039/b809415b","","","0.71073","MoKα","","0.043","0.0322","","","0.0724","0.0772","","","","","","1.057","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200188","14.3137","0.0003","14.3137","0.0003","13.7292","0.0007","90","","90","","120","","2436.01","0.14","296","2","296","2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","","","- C12 H32 Mn7 N54 O14 -","- C12 H24 Mn7 N54 O14 -","- C24 H48 Mn14 N108 O28 -","2","0.166667","","Lin, Jiao-Min; Huang, Bei-Shu; Guan, Yang-Fan; Liu, Zhao-Qing; Wang, Dong-Yao; Dong, Wen","Syntheses, structures and properties of seven H2BTA coordinating 3-D metallic complexes containing 0-, 1-, 2-, and 3-D frameworks (H2BTA = bis(tetrazolyl)amine)","CrystEngComm","2009","11","2","329","","10.1039/b809415b","","","0.71073","MoKα","","0.0231","0.0218","","","0.0653","0.0662","","","","","","1.056","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200189","12.4745","0.0004","12.4745","0.0004","26.721","0.002","90","","90","","90","","4158.1","0.4","185","2","185","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C20 H22 Cu N3 O6.5 -","- C20 H21 Cu N3 O6.5 -","- C160 H168 Cu8 N24 O52 -","8","1","","Wang, Guan-Hua; Li, Zhi-Gang; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Metal‒organic frameworks based on the pyridine-2,3-dicarboxylate and a flexible bispyridyl ligand: syntheses, structures, and photoluminescence","CrystEngComm","2009","11","2","292","","10.1039/b809557d","","","0.71073","MoKα","","0.0458","0.0363","","","0.0899","0.0946","","","","","","1.066","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200190","14.6453","0.0012","16.9993","0.0013","10.4297","0.0008","90","","120.913","0.001","90","","2227.7","0.3","185","2","185","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H25 Cd N3 O8 -","- C20 H25 Cd N3 O8 -","- C80 H100 Cd4 N12 O32 -","4","1","","Wang, Guan-Hua; Li, Zhi-Gang; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Metal‒organic frameworks based on the pyridine-2,3-dicarboxylate and a flexible bispyridyl ligand: syntheses, structures, and photoluminescence","CrystEngComm","2009","11","2","292","","10.1039/b809557d","","","0.71073","MoKα","","0.0175","0.0172","","","0.0413","0.0415","","","","","","1.057","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200191","12.5412","0.0009","12.5412","0.0009","27.227","0.004","90","","90","","90","","4282.3","0.8","185","2","185","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C20 H22 N3 O6.5 Zn -","- C20 H19.6 N3 O6.5 Zn -","- C160 H156.8 N24 O52 Zn8 -","8","1","","Wang, Guan-Hua; Li, Zhi-Gang; Jia, Heng-Qing; Hu, Ning-Hai; Xu, Jing-Wei","Metal‒organic frameworks based on the pyridine-2,3-dicarboxylate and a flexible bispyridyl ligand: syntheses, structures, and photoluminescence","CrystEngComm","2009","11","2","292","","10.1039/b809557d","","","0.71073","MoKα","","0.0992","0.0674","","","0.1739","0.1918","","","","","","1.013","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200193","12.18","0.004","7.501","0.003","14.277","0.005","90","","100.286","0.007","90","","1283.4","0.8","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 N4 O2 -","- C14 H10 N4 O2 -","- C56 H40 N16 O8 -","4","1","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0997","0.0619","","","0.1304","0.1475","","","","","","1.098","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200194","12.388","0.013","8.051","0.009","14.256","0.015","90","","103.305","0.018","90","","1384","3","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Br N4 O2 -","- C14 H9 Br N4 O2 -","- C56 H36 Br4 N16 O8 -","4","1","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0699","0.0466","","","0.1245","0.1376","","","","","","0.96","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200195","9.2835","0.0011","7.2943","0.0009","20.794","0.002","90","","97.444","0.002","90","","1396.2","0.3","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Br N4 O2 -","- C14 H9 Br N4 O2 -","- C56 H36 Br4 N16 O8 -","4","1","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0518","0.0369","","","0.0876","0.0942","","","","","","1.03","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200196","5.4468","0.0009","20.778","0.003","12.482","0.002","90","","102.427","0.003","90","","1379.5","0.4","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Br N4 O2 -","- C14 H9 Br N4 O2 -","- C56 H36 Br4 N16 O8 -","4","1","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0503","0.0361","","","0.0823","0.0889","","","","","","1.045","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200197","8.502","0.003","5.3559","0.0018","27.363","0.009","90","","95.564","0.006","90","","1240.1","0.7","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 N4 O2 -","- C14 H10 N4 O2 -","- C56 H40 N16 O8 -","4","1","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0655","0.0525","","","0.126","0.1328","","","","","","1.038","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200198","7.228","0.007","13.308","0.013","14.521","0.015","90","","93.675","0.019","90","","1394","2","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Br N4 O2 -","- C14 H9 Br N4 O2 -","- C56 H36 Br4 N16 O8 -","4","1","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.1755","0.1357","","","0.3958","0.4175","","","","","","1.141","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200199","7.4402","0.0006","12.4535","0.001","14.6016","0.0012","91.272","0.001","98.994","0.001","96.309","0.001","1327.14","0.19","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 Br N4 O2 -","- C14 H9 Br N4 O2 -","- C56 H36 Br4 N16 O8 -","4","2","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0492","0.0342","","","0.0785","0.0847","","","","","","1.023","","","","has coordinates","180332","2020-10-21","18:00:00",""
"7200200","8.667","0.003","5.2323","0.0018","30.304","0.011","90","","96.248","0.006","90","","1366.1","0.8","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Br N4 O2 -","- C14 H9 Br N4 O2 -","- C56 H36 Br4 N16 O8 -","4","1","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0675","0.0459","","","0.1064","0.1186","","","","","","1.034","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200201","5.757","0.002","7.198","0.003","14.862","0.006","101.081","0.006","99.217","0.006","90.859","0.006","595.9","0.4","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 N4 O2 -","- C14 H10 N4 O2 -","- C28 H20 N8 O4 -","2","1","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0414","0.0363","","","0.0996","0.1042","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200202","29.52","0.02","7.057","0.005","13.022","0.009","90","","97.405","0.012","90","","2690","3","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 Br N4 O2 -","- C14 H9 Br N4 O2 -","- C112 H72 Br8 N32 O16 -","8","1","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0556","0.0385","","","0.0953","0.1037","","","","","","1.01","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200203","7.5222","0.0008","14.1697","0.0015","13.0479","0.0014","90","","90.391","0.002","90","","1390.7","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Br N4 O2 -","- C14 H9 Br N4 O2 -","- C56 H36 Br4 N16 O8 -","4","1","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0547","0.0387","","","0.0958","0.1033","","","","","","1.041","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200204","9.6141","0.0015","12.0915","0.0019","12.9","0.002","87.535","0.002","71.407","0.002","76.183","0.002","1379.3","0.4","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H9 Br N4 O2 -","- C14 H9 Br N4 O2 -","- C56 H36 Br4 N16 O8 -","4","2","","Ramana, C. V.; Chatterjee, Soumitra; Durugkar, Kulbhushan A.; Gonnade, Rajesh G.","“Click” synthesis of isomeric compounds for assessing the efficiency of the bifurcated Br⋯NO2 synthon","CrystEngComm","2009","11","1","143","","10.1039/b809985e","","","0.71073","MoKα","","0.0674","0.0429","","","0.1159","0.1284","","","","","","1.019","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200205","9.5107","0.0005","11.0673","0.0006","10.0425","0.0006","90","","108.888","0.002","90","","1000.13","0.1","150","","150","","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","Compound X","4-benzylaniline","","- C13 H13 N -","- C13 H13 N -","- C52 H52 N4 -","4","1","","Gibson, Emma K.; Winfield, John M.; Muir, Kenneth W.; Carr, Robert H.; Eaglesham, Archie; Gavezzotti, Angelo; Parker, Stewart F.; Lennon, David","A structural and spectroscopic investigation of the hydrochlorination of 4-benzylaniline: the interaction of anhydrous hydrogen chloride with chlorobenzene","Physical Chemistry Chemical Physics","2009","11","2","288","297","10.1039/b810027f","","x-ray","0.71073","MoKα","","0.0809","0.0575","","","0.1273","0.1386","","","","","","1.075","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200206","5.5504","0.0002","22.093","0.0008","9.7906","0.0004","90","","106.436","","90","","1151.51","0.08","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Compound X","4-benzylaniline hydrochloride","","- C13 H14 Cl N -","- C13 H14 Cl N -","- C52 H56 Cl4 N4 -","4","1","","Gibson, Emma K.; Winfield, John M.; Muir, Kenneth W.; Carr, Robert H.; Eaglesham, Archie; Gavezzotti, Angelo; Parker, Stewart F.; Lennon, David","A structural and spectroscopic investigation of the hydrochlorination of 4-benzylaniline: the interaction of anhydrous hydrogen chloride with chlorobenzene","Physical Chemistry Chemical Physics","2009","11","2","288","297","10.1039/b810027f","","","0.71073","MoKα","","0.055","0.0359","","","0.0761","0.0817","","","","","","1.011","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200207","8.3614","0.0007","10.4963","0.0009","11.71","0.001","82.114","0.002","86.716","0.002","66.74","0.002","935.25","0.14","294","2","294","2","","","","","","","","3","P -1","-P 1","2","bis(triphenylmethanol) 1,4,7,10-tetraoxacyclooctadecane clathrate","bis(triphenylmethanol) 1,4,7,10-tetraoxacyclooctadecane clathrate","","- C46 H48 O6 -","- C46 H48 O6 -","- C46 H48 O6 -","1","0.5","","Fonari, Marina S.; Simonov, Yurii A.; Wang, Wen-Jwu; Tang, Shang-Wei; Ganin, Eduard V.","Inclusion of triphenylmethane derivatives by crown and linear O-containing molecules : selective interactions and crystal structures","CrystEngComm","2009","11","1","94","","10.1039/b810076d","","","0.71073","MoKα","","0.0554","0.0476","","","0.1382","0.1466","","","","","","1.06","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200208","17.069","0.004","10.694","0.003","26.52","0.007","90","","107.367","0.005","90","","4620","2","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","triphenylmethanaminium trifluoroacetate 2-methoxyethanol clathrate","triphenylmethanaminium trifluoroacetate 2-methoxyethanol clathrate","","- C24 H26 F3 N O4 -","- C24 H26 F3 N O4 -","- C192 H208 F24 N8 O32 -","8","1","","Fonari, Marina S.; Simonov, Yurii A.; Wang, Wen-Jwu; Tang, Shang-Wei; Ganin, Eduard V.","Inclusion of triphenylmethane derivatives by crown and linear O-containing molecules : selective interactions and crystal structures","CrystEngComm","2009","11","1","94","","10.1039/b810076d","","","0.71073","MoKα","","0.0679","0.0428","","","0.1215","0.1344","","","","","","1.011","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200209","8.4707","0.0006","12.4699","0.0009","12.86","0.0009","115.372","0.001","97.929","0.001","99.54","0.001","1176.63","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","bis(3-(hydroxy(diphenyl)methyl)benzenesulfonamide) 1,4,7,10,13,16-hexaoxacyclooctadecane clathrate","bis{3-[hydroxy(diphenyl)methyl]benzenesulfonamide} 1,4,7,10,13,16-hexaoxacyclooctadecane clathrate","","- C50 H58 N2 O12 S2 -","- C50 H58 N2 O12 S2 -","- C50 H58 N2 O12 S2 -","1","0.5","","Fonari, Marina S.; Simonov, Yurii A.; Wang, Wen-Jwu; Tang, Shang-Wei; Ganin, Eduard V.","Inclusion of triphenylmethane derivatives by crown and linear O-containing molecules : selective interactions and crystal structures","CrystEngComm","2009","11","1","94","","10.1039/b810076d","","","0.71073","MoKα","","0.0548","0.0393","","","0.0963","0.1025","","","","","","0.925","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200210","14.7301","0.0015","16.1984","0.0016","9.729","0.001","90","","103.973","0.002","90","","2252.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis (triphenylmethanaminium thiocyanate) 1,4,7,10- tetraoxacyclododecane clathrate","bis (triphenylmethanaminium thiocyanate) 1,4,7,10-tetraoxacyclododecane clathrate","","- C48 H52 N4 O4 S2 -","- C48 H52 N4 O4 S2 -","- C96 H104 N8 O8 S4 -","2","0.5","","Fonari, Marina S.; Simonov, Yurii A.; Wang, Wen-Jwu; Tang, Shang-Wei; Ganin, Eduard V.","Inclusion of triphenylmethane derivatives by crown and linear O-containing molecules : selective interactions and crystal structures","CrystEngComm","2009","11","1","94","","10.1039/b810076d","","","0.71073","MoKα","","0.162","0.0537","","","0.1173","0.1326","","","","","","0.831","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200211","8.4675","0.0008","10.2973","0.0013","11.943","0.002","84.058","0.009","88.008","0.012","67.966","0.008","960.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","bis(1,1,1-triphenylmethanamine) 1,4,7,10-teraoxacyclododecane clathrate","bis(1,1,1-triphenylmethanamine) 1,4,7,10-teraoxacyclododecane clathrate","","- C46 H50 N2 O4 -","- C46 H50 N2 O4 -","- C46 H50 N2 O4 -","1","0.5","","Fonari, Marina S.; Simonov, Yurii A.; Wang, Wen-Jwu; Tang, Shang-Wei; Ganin, Eduard V.","Inclusion of triphenylmethane derivatives by crown and linear O-containing molecules : selective interactions and crystal structures","CrystEngComm","2009","11","1","94","","10.1039/b810076d","","","0.71073","MoKα","","0.0565","0.0412","","","0.111","0.1184","","","","","","1.042","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200212","21.179","0.0005","17.0734","0.0004","16.6258","0.0004","90","","114.634","0.001","90","","5464.7","0.2","140","2","140","2","","","","","","","","5","C 1 c 1","C -2yc","9","cocrystal pentafluorophenol * pentafluoroaniline 6:3","cocrystal pentafluorophenol * pentafluoroaniline 6:3","","- C18 H4 F15 N O2 -","- C18 H4 F15 N O2 -","- C216 H48 F180 N12 O24 -","12","3","","Kirchner, Michael T.; Bläser, Dieter; Boese, Roland; Desiraju, Gautam R.","Additive induced polymorphism. The pentafluorophenol‒pentafluoroaniline system","CrystEngComm","2009","11","2","229","231","10.1039/b810088h","","","0.71073","MoKα","","0.0826","0.0446","","","0.1293","0.1612","","","","","","1.011","","","","has coordinates","218383","2020-10-21","18:00:00",""
"7200213","8.8779","0.0014","14.465","0.002","13.422","0.002","90","","108.114","0.003","90","","1638.2","0.4","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17.5 H16 Ag B F4 N2 -","- C17.5 H8 Ag B F4 N2 -","- C70 H32 Ag4 B4 F16 N8 -","4","1","","MacKinnon, Craig D.; Parent, Shawna L. M.; Mawhinney, Robert C.; Assoud, Abdeljalil; Robertson, Craig M.","5,5′-Dicyano-2,2′-bithiophene and 3,3′-dicyanobiphenyl: off-axis rod-like ligands for silver(I)","CrystEngComm","2009","11","1","160","","10.1039/b810479d","","","0.71073","MoKα","","0.0425","0.0384","","","0.0949","0.0979","","","","","","1.08","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200214","7.4242","0.0006","19.9968","0.0017","12.8576","0.001","90","","92.527","0.002","90","","1907","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Ag Cl N2 O4 -","- C20 H14 Ag Cl N2 O4 -","- C80 H56 Ag4 Cl4 N8 O16 -","4","1","","MacKinnon, Craig D.; Parent, Shawna L. M.; Mawhinney, Robert C.; Assoud, Abdeljalil; Robertson, Craig M.","5,5′-Dicyano-2,2′-bithiophene and 3,3′-dicyanobiphenyl: off-axis rod-like ligands for silver(I)","CrystEngComm","2009","11","1","160","","10.1039/b810479d","","","0.71073","MoKα","","0.053","0.0422","","","0.0894","0.0941","","","","","","1.28","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200215","3.809","0.0002","7.4518","0.0004","8.2086","0.0005","87.936","0.001","85.485","0.001","82.126","0.001","230","0.02","173","2","173","2","","","","","","","","4","P -1","-P 1","2","T2CN2","","","- C10 H4 N2 S2 -","- C10 H4 N2 S2 -","- C10 H4 N2 S2 -","1","0.5","","MacKinnon, Craig D.; Parent, Shawna L. M.; Mawhinney, Robert C.; Assoud, Abdeljalil; Robertson, Craig M.","5,5′-Dicyano-2,2′-bithiophene and 3,3′-dicyanobiphenyl: off-axis rod-like ligands for silver(I)","CrystEngComm","2009","11","1","160","","10.1039/b810479d","","","0.71073","MoKα","","0.0254","0.0236","","","0.058","0.0595","","","","","","1.077","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200216","13.6376","0.0019","13.6376","0.0019","6.2054","0.0017","90","","90","","90","","1154.1","0.4","200","2","200","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C20 H8 Ag B F4 N4 S4 -","- C20 H8 Ag B F4 N4 S4 -","- C40 H16 Ag2 B2 F8 N8 S8 -","2","0.25","","MacKinnon, Craig D.; Parent, Shawna L. M.; Mawhinney, Robert C.; Assoud, Abdeljalil; Robertson, Craig M.","5,5′-Dicyano-2,2′-bithiophene and 3,3′-dicyanobiphenyl: off-axis rod-like ligands for silver(I)","CrystEngComm","2009","11","1","160","","10.1039/b810479d","","","0.71073","MoKα","","0.0455","0.04","","","0.0866","0.0885","","","","","","1.348","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200217","13.834","0.005","13.834","0.005","6.162","0.004","90","","90","","90","","1179.3","1","296","2","296","2","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C20 H8 Ag Cl N4 O4 S4 -","- C20 H8 Ag Cl N4 O4 S4 -","- C40 H16 Ag2 Cl2 N8 O8 S8 -","2","0.25","","MacKinnon, Craig D.; Parent, Shawna L. M.; Mawhinney, Robert C.; Assoud, Abdeljalil; Robertson, Craig M.","5,5′-Dicyano-2,2′-bithiophene and 3,3′-dicyanobiphenyl: off-axis rod-like ligands for silver(I)","CrystEngComm","2009","11","1","160","","10.1039/b810479d","","","0.71073","MoKα","","0.0358","0.0299","","","0.0715","0.0759","","","","","","1.342","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200218","12.4505","0.0015","24.448","0.003","19.153","0.002","90","","104.069","0.004","90","","5655.1","1.1","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C240 H288 N24 O48 -","12","6","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.1856","0.0636","","","0.1519","0.1978","","","","","","0.947","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200219","9.2621","0.0006","11.5931","0.0007","34.72","0.002","90","","90","","90","","3728.1","0.4","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C160 H192 N16 O32 -","8","1","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.0572","0.0377","","","0.0965","0.106","","","","","","1.048","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200220","8.346","0.002","8.243","0.002","24.679","0.006","90","","90","","90","","1697.8","0.7","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H22 N2 O4 -","- C18 H22 N2 O4 -","- C72 H88 N8 O16 -","4","0.5","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.1301","0.0671","","","0.1652","0.1917","","","","","","1.056","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200221","13.9348","0.0018","8.862","0.0011","14.1261","0.0017","90","","100.712","0.004","90","","1714","0.4","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C72 H68 N12 O16 -","4","1","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.1135","0.0339","","","0.0612","0.0674","","","","","","0.682","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200222","12.5428","0.001","34.337","0.003","3.873","0.0003","90","","90","","90","","1668","0.2","180","2","180","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C18 H17 N3 O4 -","- C18 H17 N3 O4 -","- C72 H68 N12 O16 -","4","0.5","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.0446","0.0306","","","0.0712","0.0767","","","","","","1.045","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200223","5.3467","0.0004","17.2757","0.0013","11.5764","0.0009","90","","90.98","0.003","90","","1069.13","0.14","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C44 H44 N12 O8 -","4","1","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.0486","0.0416","","","0.1154","0.1178","","","","","","1.155","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200224","17.7236","0.0006","22.0059","0.0007","9.8501","0.0003","90","","90","","90","","3841.8","0.2","180","2","180","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C160 H192 N16 O48 -","8","1","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.0552","0.0431","","","0.1166","0.1273","","","","","","1.029","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200225","13.0229","0.0013","3.8561","0.0003","22.048","0.002","90","","104.322","0.004","90","","1072.79","0.17","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O6 -","- C26 H20 N2 O6 -","- C52 H40 N4 O12 -","2","0.5","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.0434","0.0314","","","0.0816","0.0882","","","","","","1.041","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200226","11.59","0.003","13.283","0.003","13.73","0.003","90","","90","","90","","2113.7","0.9","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N2 O8 -","- C22 H26 N2 O8 -","- C88 H104 N8 O32 -","4","0.5","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.074","0.0395","","","0.0852","0.0963","","","","","","1.053","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200227","7.5378","0.0009","7.9689","0.0008","9.6533","0.0012","70.378","0.004","77.017","0.004","79.533","0.004","528.64","0.11","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N2 O8 -","- C22 H26 N2 O8 -","- C22 H26 N2 O8 -","1","0.5","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.0766","0.0508","","","0.149","0.1584","","","","","","1.127","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200228","7.4937","0.0004","10.0957","0.0005","15.2981","0.001","90","","98.025","0.003","90","","1146.03","0.11","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 N2 O8 -","- C24 H28 N2 O8 -","- C48 H56 N4 O16 -","2","0.5","","Skovsgaard, Signe; Bond, Andrew D.","Co-crystallisation of benzoic acid derivatives with N-containing bases in solution and by mechanical grinding: stoichiometric variants, polymorphism and twinning","CrystEngComm","2009","11","3","444","453","10.1039/b810660f","","","0.71073","MoKα","","0.0701","0.0535","","","0.1415","0.1503","","","","","","1.059","","","","has coordinates","218433","2020-10-21","18:00:00",""
"7200229","9.571","0.004","6.751","0.002","11.093","0.004","90","","113.3","0.005","90","","658.3","0.4","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H13 Eu N2 O12 -","- C7 H13 Eu N2 O12 -","- C14 H26 Eu2 N4 O24 -","2","0.5","","Wan, Yong-Hong; Zheng, Xiang-Jun; Wang, Feng-Qin; Zhou, Xiao-Yu; Wang, Ke-Zhi; Jin, Lin-Pei","Water cluster supported architecture of lanthanide coordination polymers with pyrazinetricarboxylic acid","CrystEngComm","2009","11","2","278","","10.1039/b810964h","","","0.71073","MoKα","","0.0424","0.0402","","","0.1052","0.1073","","","","","","1.089","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200230","9.69","0.0016","6.8211","0.0014","11.236","0.003","90","","113.333","0.008","90","","681.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C7 H13 Gd N2 O12 -","- C7 H13 Gd N2 O12 -","- C14 H26 Gd2 N4 O24 -","2","0.5","","Wan, Yong-Hong; Zheng, Xiang-Jun; Wang, Feng-Qin; Zhou, Xiao-Yu; Wang, Ke-Zhi; Jin, Lin-Pei","Water cluster supported architecture of lanthanide coordination polymers with pyrazinetricarboxylic acid","CrystEngComm","2009","11","2","278","","10.1039/b810964h","","","0.71073","MoKα","","0.0658","0.0592","","","0.1555","0.1653","","","","","","1.079","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200231","9.5054","0.001","6.5175","0.0007","17.0878","0.0018","90","","90","","90","","1058.61","0.19","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H7 N2 O9 Yb -","- C7 H7 N2 O9 Yb -","- C28 H28 N8 O36 Yb4 -","4","0.5","","Wan, Yong-Hong; Zheng, Xiang-Jun; Wang, Feng-Qin; Zhou, Xiao-Yu; Wang, Ke-Zhi; Jin, Lin-Pei","Water cluster supported architecture of lanthanide coordination polymers with pyrazinetricarboxylic acid","CrystEngComm","2009","11","2","278","","10.1039/b810964h","","","0.71073","MoKα","","0.0284","0.0269","","","0.0695","0.0704","","","","","","1.051","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200232","9.5384","0.0008","6.5495","0.0006","17.1693","0.0015","90","","90","","90","","1072.6","0.16","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H7 Er N2 O9 -","- C7 H7 Er N2 O9 -","- C28 H28 Er4 N8 O36 -","4","0.5","","Wan, Yong-Hong; Zheng, Xiang-Jun; Wang, Feng-Qin; Zhou, Xiao-Yu; Wang, Ke-Zhi; Jin, Lin-Pei","Water cluster supported architecture of lanthanide coordination polymers with pyrazinetricarboxylic acid","CrystEngComm","2009","11","2","278","","10.1039/b810964h","","","0.71073","MoKα","","0.0214","0.0196","","","0.0468","0.0473","","","","","","1.096","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200233","18.5354","0.0009","6.5819","0.0003","14.7391","0.0007","90","","91.987","0.001","90","","1797.06","0.15","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N6 O4 -","- C20 H16 N6 O4 -","- C80 H64 N24 O16 -","4","1","","Du, Miao; Jiang, Xiu-Juan; Tan, Xue; Zhang, Zhi-Hui; Cai, Hua","Co-crystallization of a versatile building block 4-amino- 3,5-bis(4-pyridyl)-1,2,4-triazole with R-isophthalic acids (R = ‒H, ‒NH2, ‒SO3H, and ‒COOH): polymorphism and substituent effect on structural diversity","CrystEngComm","2009","11","3","454","","10.1039/b811132d","","","0.71073","MoKα","","0.0438","0.0333","","","0.0858","0.0992","","","","","","1.071","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200234","6.255","0.002","7.187","0.002","20.272","0.004","83.78","0.03","86.62","0.03","79.03","0.02","888.7","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H16 N6 O4 -","- C20 H16 N6 O4 -","- C40 H32 N12 O8 -","2","1","","Du, Miao; Jiang, Xiu-Juan; Tan, Xue; Zhang, Zhi-Hui; Cai, Hua","Co-crystallization of a versatile building block 4-amino- 3,5-bis(4-pyridyl)-1,2,4-triazole with R-isophthalic acids (R = ‒H, ‒NH2, ‒SO3H, and ‒COOH): polymorphism and substituent effect on structural diversity","CrystEngComm","2009","11","3","454","","10.1039/b811132d","","","0.71073","MoKα","","0.1681","0.0503","","","0.0853","0.1037","","","","","","0.98","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200235","17.5638","0.0013","7.371","0.0006","14.4866","0.0011","90","","93.01","0.001","90","","1872.9","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N7 O4 -","- C20 H17 N7 O4 -","- C80 H68 N28 O16 -","4","1","","Du, Miao; Jiang, Xiu-Juan; Tan, Xue; Zhang, Zhi-Hui; Cai, Hua","Co-crystallization of a versatile building block 4-amino- 3,5-bis(4-pyridyl)-1,2,4-triazole with R-isophthalic acids (R = ‒H, ‒NH2, ‒SO3H, and ‒COOH): polymorphism and substituent effect on structural diversity","CrystEngComm","2009","11","3","454","","10.1039/b811132d","","","0.71073","MoKα","","0.0637","0.0389","","","0.0938","0.1048","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200236","7.1997","0.0008","21.912","0.002","14.196","0.0015","90","","98.116","0.001","90","","2217.1","0.4","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N6 O9 S -","- C20 H20 N6 O9 S -","- C80 H80 N24 O36 S4 -","4","1","","Du, Miao; Jiang, Xiu-Juan; Tan, Xue; Zhang, Zhi-Hui; Cai, Hua","Co-crystallization of a versatile building block 4-amino- 3,5-bis(4-pyridyl)-1,2,4-triazole with R-isophthalic acids (R = ‒H, ‒NH2, ‒SO3H, and ‒COOH): polymorphism and substituent effect on structural diversity","CrystEngComm","2009","11","3","454","","10.1039/b811132d","","","0.71073","MoKα","","0.0649","0.0457","","","0.1171","0.1264","","","","","","1.067","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200237","7.3454","0.0007","37.522","0.003","8.5441","0.0008","90","","113.35","0.001","90","","2162","0.3","294","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 N6 O8 -","- C21 H20 N6 O8 -","- C84 H80 N24 O32 -","4","1","","Du, Miao; Jiang, Xiu-Juan; Tan, Xue; Zhang, Zhi-Hui; Cai, Hua","Co-crystallization of a versatile building block 4-amino- 3,5-bis(4-pyridyl)-1,2,4-triazole with R-isophthalic acids (R = ‒H, ‒NH2, ‒SO3H, and ‒COOH): polymorphism and substituent effect on structural diversity","CrystEngComm","2009","11","3","454","","10.1039/b811132d","","","0.71073","MoKα","","0.0453","0.0409","","","0.1035","0.1067","","","","","","1.075","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200238","6.9422","0.0002","10.1547","0.0004","14.1896","0.0005","81.003","0.002","76.327","0.002","70.344","0.002","912.09","0.06","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","Adenine - benzoic acid (1:2) co-crystal","","- C19 H17 N5 O4 -","- C19 H17 N5 O4 -","- C38 H34 N10 O8 -","2","1","","Byres, Maureen; Cox, Philip J.; Kay, Graeme; Nixon, Elaine","Supramolecular structures of six adenine-carboxylic acid complexes","CrystEngComm","2009","11","1","135","","10.1039/b811243f","","x-ray","0.71073","MoKα","","0.0562","0.0415","","","0.0946","0.1007","","","","","","1.045","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200239","8.9781","0.0005","9.9334","0.0005","14.2815","0.0007","74.908","0.003","85.357","0.003","66.786","0.003","1129.84","0.11","120","2","120","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","Adenine - adipic acid (2:1) dimethanolate","","- C18 H28 N10 O6 -","- C18 H28 N10 O6 -","- C36 H56 N20 O12 -","2","1","","Byres, Maureen; Cox, Philip J.; Kay, Graeme; Nixon, Elaine","Supramolecular structures of six adenine-carboxylic acid complexes","CrystEngComm","2009","11","1","135","","10.1039/b811243f","","x-ray","0.71073","MoKα","","0.0757","0.0462","","","0.1075","0.1198","","","","","","1.069","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200240","7.0966","0.0003","7.2069","0.0003","23.563","0.0011","90","","93.978","0.003","90","","1202.21","0.09","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","Adenine 2,6-dihydroxybenzoate","","- C12 H11 N5 O4 -","- C12 H11 N5 O4 -","- C48 H44 N20 O16 -","4","1","","Byres, Maureen; Cox, Philip J.; Kay, Graeme; Nixon, Elaine","Supramolecular structures of six adenine-carboxylic acid complexes","CrystEngComm","2009","11","1","135","","10.1039/b811243f","","x-ray","0.71073","MoKα","","0.0877","0.0512","","","0.1077","0.1245","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200241","6.9541","0.0002","15.216","0.0006","7.0195","0.0003","90","","118.59","","90","","652.19","0.04","120","2","120","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","Adenine 2,6-dihydroxybenzoate hydrate","","- C12 H13 N5 O5 -","- C12 H13 N5 O5 -","- C24 H26 N10 O10 -","2","1","","Byres, Maureen; Cox, Philip J.; Kay, Graeme; Nixon, Elaine","Supramolecular structures of six adenine-carboxylic acid complexes","CrystEngComm","2009","11","1","135","","10.1039/b811243f","","x-ray","0.71073","MoKα","","0.0565","0.0541","","","0.1583","0.1598","","","","","","1.116","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200242","7.1636","0.0002","7.9486","0.0003","24.7336","0.0009","90","","91.248","0.002","90","","1408.01","0.08","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","Adenine 2-hydroxybenzoate methanolate","","- C13 H15 N5 O4 -","- C13 H15 N5 O4 -","- C52 H60 N20 O16 -","4","1","","Byres, Maureen; Cox, Philip J.; Kay, Graeme; Nixon, Elaine","Supramolecular structures of six adenine-carboxylic acid complexes","CrystEngComm","2009","11","1","135","","10.1039/b811243f","","x-ray","0.71073","MoKα","","0.0655","0.0464","","","0.1126","0.1227","","","","","","1.053","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200243","11.6347","0.0005","14.9993","0.0008","7.9794","0.0004","90","","91.496","0.003","90","","1392.03","0.12","120","2","120","2","","","","","","","synthesis as described","4","C 1 c 1","C -2yc","9","","[Adenine hydroxide] [3,5-dihydroxybenzoic acid hydrate]","","- C12 H15 N5 O6 -","- C12 H15 N5 O6 -","- C48 H60 N20 O24 -","4","1","","Byres, Maureen; Cox, Philip J.; Kay, Graeme; Nixon, Elaine","Supramolecular structures of six adenine-carboxylic acid complexes","CrystEngComm","2009","11","1","135","","10.1039/b811243f","","x-ray","0.71073","MoKα","","0.069","0.0572","","","0.1166","0.1245","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200244","17.8896","0.0008","7.3769","0.0004","6.782","0.0004","90","","97.31","0.003","90","","887.74","0.08","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 N3 -","- C10 H9 N3 -","- C40 H36 N12 -","4","1","","Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen","Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation","CrystEngComm","2009","11","2","306","","10.1039/b811297e","","","0.71073","MoKα","","0.0688","0.0462","","","0.1246","0.1361","","","","","","1.071","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200245","36.2306","0.0016","5.4899","0.0001","26.446","0.0011","90","","95.6441","0.0012","90","","5234.7","0.3","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 N3 -","- C10 H9 N3 -","- C240 H216 N72 -","24","3","","Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen","Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation","CrystEngComm","2009","11","2","306","","10.1039/b811297e","","","0.71073","MoKα","","0.0986","0.0488","","","0.1032","0.1221","","","","","","1.002","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200246","7.7717","0.0004","11.544","0.0007","13.2696","0.0009","71.552","0.003","89.896","0.004","87.983","0.004","1128.57","0.12","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H11 N3 -","- C14 H11 N3 -","- C56 H44 N12 -","4","2","","Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen","Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation","CrystEngComm","2009","11","2","306","","10.1039/b811297e","","","0.71073","MoKα","","0.0788","0.0676","","","0.1732","0.1825","","","","","","1.092","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200247","46.0671","0.0008","6.2813","0.0001","7.4605","0.0002","90","","96.0684","0.0013","90","","2146.68","0.08","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C14 H11 N3 -","- C14 H11 N3 -","- C112 H88 N24 -","8","2","","Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen","Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation","CrystEngComm","2009","11","2","306","","10.1039/b811297e","","","0.71073","MoKα","","0.0364","0.0335","","","0.0849","0.0867","","","","","","1.058","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200248","12.6457","0.0009","7.7132","0.0006","37.641","0.003","90","","97.728","0.002","90","","3638.1","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H9 F9 N3 -","- C18.9988 H9 F8.9988 N3 -","- C151.99 H72 F71.9904 N24 -","8","1","","Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen","Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation","CrystEngComm","2009","11","2","306","","10.1039/b811297e","","","0.71073","MoKα","","0.0748","0.0646","","","0.1356","0.1407","","","","","","1.14","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200249","17.7639","0.0004","7.0692","0.0002","14.1054","0.0005","90","","105.935","0.0016","90","","1703.24","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H11 F6 N3 -","- C20 H11 F6 N3 -","- C80 H44 F24 N12 -","4","1","","Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen","Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation","CrystEngComm","2009","11","2","306","","10.1039/b811297e","","","0.71073","MoKα","","0.059","0.0398","","","0.0992","0.1088","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200250","14.7028","0.0006","7.3888","0.0004","13.7709","0.0005","90","","110.236","0.003","90","","1403.68","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H11 F3 N3 -","- C17 H11 F3 N3 -","- C68 H44 F12 N12 -","4","1","","Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen","Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation","CrystEngComm","2009","11","2","306","","10.1039/b811297e","","","0.71073","MoKα","","0.0609","0.0459","","","0.1214","0.1319","","","","","","1.039","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200251","7.491","0.0001","19.127","0.0004","15.82","0.0004","90","","92.867","0.0015","90","","2263.86","0.08","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 Ag B F4 N6 O1.43 -","- C20 H18 Ag B F4 N6 O1.418 -","- C80 H72 Ag4 B4 F16 N24 O5.672 -","4","0.5","","Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen","Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation","CrystEngComm","2009","11","2","306","","10.1039/b811297e","","","0.71073","MoKα","","0.0392","0.0328","","","0.0815","0.0857","","","","","","1.037","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200252","18.854","0.0005","13.3354","0.0003","10.1094","0.0003","90","","97.6513","0.0015","90","","2519.13","0.12","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Ag B F4 N6 -","- C28 H22 Ag B F4 N6 -","- C112 H88 Ag4 B4 F16 N24 -","4","1","","Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen","Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation","CrystEngComm","2009","11","2","306","","10.1039/b811297e","","","0.71073","MoKα","","0.0629","0.0378","","","0.0749","0.0831","","","","","","1.029","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200253","21.7294","0.0013","9.7649","0.0006","12.1235","0.0007","90","","98.099","0.004","90","","2546.8","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 Ag B F4 N6 -","- C28 H22 Ag B F4 N6 -","- C112 H88 Ag4 B4 F16 N24 -","4","1","","Stoll, Ion; Brodbeck, Ralf; Neumann, Beate; Stammler, Hans-Georg; Mattay, Jochen","Controlling the self assembly of arene functionalised 2-aminopyrimidines by arene-perfluoroarene interaction and by silver(I) complex formation","CrystEngComm","2009","11","2","306","","10.1039/b811297e","","","0.71073","MoKα","","0.1629","0.0909","","","0.2069","0.2454","","","","","","1.078","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200254","6.9907","0.0006","8.0552","0.0007","15.3027","0.0013","79.305","0.005","89.038","0.005","64.66","0.005","763.37","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(4-bromo-PhC(CN)(=NOH)), 3-bromo-5-methoxypyridine","(4-bromo-PhC(CN)(=NOH)), 3-bromo-5-methoxypyridine","","- C14 H11 Br2 N3 O2 -","- C14 H11 Br2 N3 O2 -","- C28 H22 Br4 N6 O4 -","2","1","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanooximes as effective and selective co-crystallizing agents","CrystEngComm","2009","11","3","439","443","10.1039/b811322j","","","0.71073","MoKα","","0.0686","0.0576","","","0.1633","0.1704","","","","","","1.128","","","","has coordinates","218430","2020-10-21","18:00:00",""
"7200255","4.9374","0.0006","22.597","0.003","19.233","0.002","90","","96.869","0.002","90","","2130.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(4-bromo-PhC(CN)(=NOH)), 1-(4-bromobenzyl)-2- methylbenzimidazole","(4-bromo-PhC(CN)(=NOH)), 1-(4-bromobenzyl)-2-methylbenzimidazole","","- C23 H18 Br2 N4 O -","- C23 H18 Br2 N4 O -","- C92 H72 Br8 N16 O4 -","4","1","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanooximes as effective and selective co-crystallizing agents","CrystEngComm","2009","11","3","439","443","10.1039/b811322j","","","0.71073","MoKα","","0.0493","0.0339","","","0.0825","0.0888","","","","","","1.021","","","","has coordinates","218430","2020-10-21","18:00:00",""
"7200256","5.3033","0.0006","13.2294","0.0015","15.0601","0.0017","102.536","0.002","99.505","0.002","94.752","0.002","1009.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","(4-bromo-PhC(CN)(=NOH)), 1-(4-bromobenzyl)benzimidazole","(4-bromo-PhC(CN)(=NOH)), 1-(4-bromobenzyl)benzimidazole","","- C22 H16 Br2 N4 O -","- C22 H16 Br2 N4 O -","- C44 H32 Br4 N8 O2 -","2","1","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanooximes as effective and selective co-crystallizing agents","CrystEngComm","2009","11","3","439","443","10.1039/b811322j","","","0.71073","MoKα","","0.0334","0.0271","","","0.0711","0.0736","","","","","","1.077","","","","has coordinates","218430","2020-10-21","18:00:00",""
"7200257","6.039","0.003","13.982","0.006","14.166","0.006","70.067","0.019","83.78","0.03","82.22","0.03","1111.6","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","4-bromo-PhC(CN)(N=OH), (3-((5,6-dimethylbenzimidazol-1- yl)methyl)PhCN","4-bromo-PhC(CN)(N=OH), (3-[(5,6-dimethylbenzimidazol-1-yl)methyl]PhCN","","- C25 H20 Br N5 O -","- C25 H20 Br N5 O -","- C50 H40 Br2 N10 O2 -","2","1","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanooximes as effective and selective co-crystallizing agents","CrystEngComm","2009","11","3","439","443","10.1039/b811322j","","","0.71073","MoKα","","0.2524","0.0716","","","0.1546","0.2081","","","","","","0.795","","","","has coordinates","218430","2020-10-21","18:00:00",""
"7200258","3.8189","0.0006","11.2941","0.0018","14.107","0.002","98.884","0.01","93.147","0.011","94.624","0.01","597.79","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","(2-fluoro-PhC(CN)(=NOH))2, 1,2-di(4-pyridyl)ethene","[2-fluoro-PhC(CN)(=NOH)]2, 1,2-di(4-pyridyl)ethene","","- C28 H20 F2 N6 O2 -","- C28 H20 F2 N6 O2 -","- C28 H20 F2 N6 O2 -","1","0.5","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanooximes as effective and selective co-crystallizing agents","CrystEngComm","2009","11","3","439","443","10.1039/b811322j","","","0.71073","MoKα","","0.0869","0.0597","","","0.1588","0.1754","","","","","","1.017","","","","has coordinates,has disorder","218430","2020-10-21","18:00:00",""
"7200259","13.6335","0.001","4.4402","0.0003","27.297","0.002","90","","94.084","0.003","90","","1648.2","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","481 1,4-di((1-benzimidazolyl)methyl)benzene, (3-chloro- PhC(CN)(=NOH))2","481 1,4-di[(1-benzimidazolyl)methyl]benzene, [3-chloro-PhC(CN)(=NOH)]2","","- C38 H28 Cl2 N8 O2 -","- C38 H28 Cl2 N8 O2 -","- C76 H56 Cl4 N16 O4 -","2","0.5","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanooximes as effective and selective co-crystallizing agents","CrystEngComm","2009","11","3","439","443","10.1039/b811322j","","","0.71073","MoKα","","0.0634","0.0418","","","0.1013","0.1118","","","","","","1.078","","","","has coordinates","218430","2020-10-21","18:00:00",""
"7200260","16.1659","0.0012","6.4146","0.0005","21.0074","0.0016","90","","105.945","0.005","90","","2094.6","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","MS 512 1-(4-pyridylmethyl)-5,6-Me2benzimidazole, 4-F- PhC(CN)(NOH)","MS 512 1-(4-pyridylmethyl)-5,6-Me2benzimidazole, 4-F-PhC(CN)(NOH)","","- C23 H20 F N5 O -","- C23 H20 F N5 O -","- C92 H80 F4 N20 O4 -","4","1","","Aakeröy, Christer B.; Salmon, Debra J.; Smith, Michelle M.; Desper, John","Cyanooximes as effective and selective co-crystallizing agents","CrystEngComm","2009","11","3","439","443","10.1039/b811322j","","","0.71073","MoKα","","0.1597","0.0531","","","0.1011","0.1323","","","","","","0.945","","","","has coordinates","218430","2020-10-21","18:00:00",""
"7200261","11.2155","0.0005","28.9919","0.0013","11.9052","0.0005","90","","111.216","0.001","90","","3608.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H49 Ce N16 O20 -","- C16 H47 Ce N16 O20 -","- C64 H188 Ce4 N64 O80 -","4","1","","Kostakis, George E.; Abbas, Ghulam; Anson, Christopher E.; Powell, Annie K.","Inclusion of a well resolved T4(2)6(2) water tape in a H-bonded, (4,7)-binodal 3D network","CrystEngComm","2009","11","1","82","86","10.1039/b811376a","","","0.71073","MoKα","","0.049","0.0418","","","0.0874","0.0902","","","","","","1.071","","","","has coordinates,has disorder","218438","2020-10-21","18:00:00",""
"7200262","11.2104","0.0017","28.98","0.004","11.911","0.0018","90","","111.184","0.002","90","","3608.1","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H49 N16 Nd O20 -","- C16 H47 N16 Nd O20 -","- C64 H188 N64 Nd4 O80 -","4","1","","Kostakis, George E.; Abbas, Ghulam; Anson, Christopher E.; Powell, Annie K.","Inclusion of a well resolved T4(2)6(2) water tape in a H-bonded, (4,7)-binodal 3D network","CrystEngComm","2009","11","1","82","86","10.1039/b811376a","","","0.71073","MoKα","","0.0586","0.0478","","","0.1152","0.1205","","","","","","1.131","","","","has coordinates,has disorder","218438","2020-10-21","18:00:00",""
"7200263","18.438","0.002","14.6","0.0016","15.5025","0.0017","90","","90.14","0.001","90","","4173.2","0.8","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H40 Mn2 N4 O8 -","- C22 H20 Mn N2 O4 -","- C176 H160 Mn8 N16 O32 -","8","1","","Ma, Lu-Fang; Wang, Li-Ya; Wang, Yao-Yu; Du, Miao; Wang, Jian-Ge","Synthesis, structures and properties of Mn(II) coordination frameworks based on R-isophthalate (R = ‒CH3 or ‒C(CH3)3) and various dipyridyl-type co-ligands","CrystEngComm","2009","11","1","109","","10.1039/b811725j","","","0.71073","MoKα","","0.0398","0.0376","","","0.1058","0.1079","","","","","","1.083","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200264","24.291","0.003","13.5583","0.0018","16.28","0.002","90","","110.495","0.002","90","","5022.3","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H50 Mn2 N4 O11 -","- C48 H50 Mn2 N4 O11 -","- C192 H200 Mn8 N16 O44 -","4","0.5","","Ma, Lu-Fang; Wang, Li-Ya; Wang, Yao-Yu; Du, Miao; Wang, Jian-Ge","Synthesis, structures and properties of Mn(II) coordination frameworks based on R-isophthalate (R = ‒CH3 or ‒C(CH3)3) and various dipyridyl-type co-ligands","CrystEngComm","2009","11","1","109","","10.1039/b811725j","","","0.71073","MoKα","","0.1949","0.1318","","","0.2909","0.3305","","","","","","1.055","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200265","10.309","0.0012","11.4973","0.0014","11.498","0.0014","73.492","0.001","71.723","0.001","76.497","0.001","1225","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 Mn N2 O4 -","- C24 H24 Mn N2 O4 -","- C48 H48 Mn2 N4 O8 -","2","1","","Ma, Lu-Fang; Wang, Li-Ya; Wang, Yao-Yu; Du, Miao; Wang, Jian-Ge","Synthesis, structures and properties of Mn(II) coordination frameworks based on R-isophthalate (R = ‒CH3 or ‒C(CH3)3) and various dipyridyl-type co-ligands","CrystEngComm","2009","11","1","109","","10.1039/b811725j","","","0.71073","MoKα","","0.064","0.0519","","","0.1385","0.1525","","","","","","1.044","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200266","9.934","0.011","10.242","0.011","11.064","0.012","78.351","0.012","82.391","0.013","67.257","0.012","1014.9","1.9","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Mn N2 O4 -","- C21 H18 Mn N2 O4 -","- C42 H36 Mn2 N4 O8 -","2","1","","Ma, Lu-Fang; Wang, Li-Ya; Wang, Yao-Yu; Du, Miao; Wang, Jian-Ge","Synthesis, structures and properties of Mn(II) coordination frameworks based on R-isophthalate (R = ‒CH3 or ‒C(CH3)3) and various dipyridyl-type co-ligands","CrystEngComm","2009","11","1","109","","10.1039/b811725j","","","0.71073","MoKα","","0.0532","0.0404","","","0.1121","0.1221","","","","","","1.063","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200267","9.8326","0.0013","10.929","0.0015","16.539","0.002","71.419","0.002","79.114","0.002","70.648","0.001","1582.6","0.4","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H62 Mn3 N4 O20 -","- C62 H62 Mn3 N4 O20 -","- C62 H62 Mn3 N4 O20 -","1","0.5","","Ma, Lu-Fang; Wang, Li-Ya; Wang, Yao-Yu; Du, Miao; Wang, Jian-Ge","Synthesis, structures and properties of Mn(II) coordination frameworks based on R-isophthalate (R = ‒CH3 or ‒C(CH3)3) and various dipyridyl-type co-ligands","CrystEngComm","2009","11","1","109","","10.1039/b811725j","","","0.71073","MoKα","","0.0407","0.0327","","","0.0812","0.0871","","","","","","1.022","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200269","7.7958","0.001","11.5638","0.0015","12.0921","0.0016","75.457","0.002","74.781","0.002","80.84","0.002","1013.1","0.2","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N4 O2 -","- C22 H22 N4 O2 -","- C44 H44 N8 O4 -","2","1","","Li, Suyue; Li, Ming; Qin, Jingui; Tong, Mingliang; Chen, Xiaoming; Liu, Tao; Fu, Yang; Wu, Shuixing; Su, Zhongmin","Synthesis, crystal structures and nonlinear optical properties of three TCF-based chromophores","CrystEngComm","2009","11","4","589","596","10.1039/b811833g","","","0.71073","MoKα","","0.1019","0.0675","","","0.1428","0.168","","","","","","1.019","","","","has coordinates,has disorder","218441","2020-10-21","18:00:00",""
"7200270","21.2261","0.0018","7.0551","0.0006","19.115","0.0016","90","","99.781","0.001","90","","2820.9","0.4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 N6 O3 -","- C31 H31 N6 O3 -","- C124 H124 N24 O12 -","4","1","","Li, Suyue; Li, Ming; Qin, Jingui; Tong, Mingliang; Chen, Xiaoming; Liu, Tao; Fu, Yang; Wu, Shuixing; Su, Zhongmin","Synthesis, crystal structures and nonlinear optical properties of three TCF-based chromophores","CrystEngComm","2009","11","4","589","596","10.1039/b811833g","","","0.71073","MoKα","","0.1084","0.0971","","","0.2567","0.2649","","","","","","1.07","","","","has coordinates,has disorder","218441","2020-10-21","18:00:00",""
"7200271","8.0729","0.0007","12.3815","0.0011","14.1342","0.0013","67.973","0.002","88.486","0.002","83.183","0.002","1300.1","0.2","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H28 N4 O2 -","- C30 H28 N4 O2 -","- C60 H56 N8 O4 -","2","1","","Li, Suyue; Li, Ming; Qin, Jingui; Tong, Mingliang; Chen, Xiaoming; Liu, Tao; Fu, Yang; Wu, Shuixing; Su, Zhongmin","Synthesis, crystal structures and nonlinear optical properties of three TCF-based chromophores","CrystEngComm","2009","11","4","589","596","10.1039/b811833g","","","0.71073","MoKα","","0.1115","0.0651","","","0.168","0.2009","","","","","","1.023","","","","has coordinates,has disorder","218441","2020-10-21","18:00:00",""
"7200274","8.793","0.002","10.091","0.003","15.404","0.004","87.826","0.004","88.941","0.005","73.318","0.004","1308.3","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H47 N9 Ni2 O11 -","- C40 H26 N6 Ni2 O8 -","- C40 H26 N6 Ni2 O8 -","1","0.5","","Gao, Chaoying; Liu, Shuxia; Xie, Linhua; Sun, Chunyan; Cao, Jianfang; Ren, Yuanhang; Feng, Dan; Su, Zhongming","Rational design microporous pillared-layer frameworks: syntheses, structures and gas sorption properties","CrystEngComm","2009","11","1","177","","10.1039/b812097h","","","0.71073","MoKα","","0.074","0.0546","","","0.1195","0.1271","","","","","","0.923","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200275","16.6361","0.0008","16.6361","0.0008","27.868","0.003","90","","90","","120","","6679.4","0.9","293","2","293","2","","","","","","","","5","P -6 2 c","P -6c -2c","190","","","","- C22 H29 N5 Ni O9 -","- C13 H7 N2 Ni O6 -","- C156 H84 N24 Ni12 O72 -","12","1","","Gao, Chaoying; Liu, Shuxia; Xie, Linhua; Sun, Chunyan; Cao, Jianfang; Ren, Yuanhang; Feng, Dan; Su, Zhongming","Rational design microporous pillared-layer frameworks: syntheses, structures and gas sorption properties","CrystEngComm","2009","11","1","177","","10.1039/b812097h","","","0.71073","MoKα","","0.1658","0.1472","","","0.4233","0.4438","","","","","","1.757","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200276","9.6103","0.0003","9.6103","0.0003","6.9723","0.0005","90","","90","","120","","557.67","0.05","183","2","183","2","","","","","","","","5","P 6/m m m","-P 6 2","191","","","","- C22 H29 N5 Ni O9 -","- C13.14 H1.02 N2 Ni O6 -","- C13.14 H1.02 N2 Ni O6 -","1","0.0416667","","Gao, Chaoying; Liu, Shuxia; Xie, Linhua; Sun, Chunyan; Cao, Jianfang; Ren, Yuanhang; Feng, Dan; Su, Zhongming","Rational design microporous pillared-layer frameworks: syntheses, structures and gas sorption properties","CrystEngComm","2009","11","1","177","","10.1039/b812097h","","","0.71073","MoKα","","0.0453","0.0453","","","0.1237","0.1237","","","","","","1.167","","","","has coordinates,has disorder","180333","2020-10-21","18:00:00",""
"7200277","16.257","0.0015","8.8673","0.0015","15.976","0.002","90","","90","","90","","2303","0.5","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C19 H20 Fe Mn N9 O3 -","- C19 H14 Fe Mn N9 O3 -","- C76 H56 Fe4 Mn4 N36 O12 -","4","1","","Zhao, Chong-Chao; Ni, Wei-Wei; Tao, Jun; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-directed assembly of cyanide-bridged bimetallic MnIIFeIII coordination polymers based on the pentacyanoferrite(III) building blocks","CrystEngComm","2009","11","4","632","","10.1039/b812117f","","","0.71073","MoKα","","0.0834","0.058","","","0.1346","0.1511","","","","","","1.057","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200278","13.199","0.008","7.258","0.004","22.234","0.015","90","","90","","90","","2130","2","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C18 H14 Fe Mn N9 O -","- C18 H12 Fe Mn N9 O -","- C72 H48 Fe4 Mn4 N36 O4 -","4","0.5","","Zhao, Chong-Chao; Ni, Wei-Wei; Tao, Jun; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-directed assembly of cyanide-bridged bimetallic MnIIFeIII coordination polymers based on the pentacyanoferrite(III) building blocks","CrystEngComm","2009","11","4","632","","10.1039/b812117f","","","0.71075","MoKα","","0.036","0.0309","","","0.0636","0.065","","","","","","1.012","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200279","7.409","0.0015","13.701","0.003","15.038","0.003","90","","90","","90","","1526.5","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 Fe Mn N7 O2 -","- C10 H12 Fe Mn N7 O2 -","- C40 H48 Fe4 Mn4 N28 O8 -","4","1","","Zhao, Chong-Chao; Ni, Wei-Wei; Tao, Jun; Cui, Ai-Li; Kou, Hui-Zhong","Ligand-directed assembly of cyanide-bridged bimetallic MnIIFeIII coordination polymers based on the pentacyanoferrite(III) building blocks","CrystEngComm","2009","11","4","632","","10.1039/b812117f","","","0.71073","MoKα","","0.0274","0.0239","","","0.0545","0.0557","","","","","","1.025","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200280","17.1392","0.0005","6.0512","0.0002","10.9857","0.0004","90","","93.007","0.002","90","","1137.79","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H13 N O3 S -","- C11 H13 N O3 S -","- C44 H52 N4 O12 S4 -","4","1","","Hota, Sandip K.; Chatterjee, Amrita; Bhattacharya, Pranab K.; Chattopadhyay, Partha","A green chemical approach for the N-alkylation of aldoximes to form nitrones in organized aqueous media and their in situ cycloaddition with olefins","Green Chemistry","2009","11","2","169","","10.1039/b812290c","","","0.71073","MoKα","","0.0681","0.0456","","","0.15","0.1748","","","","","","1.241","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200281","9.4559","0.0012","7.8465","0.001","10.6879","0.0017","90","","108.137","0.011","90","","753.6","0.19","295","2","295","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","","Hsu, Yi-Fen; Hu, Hui-Ling; Wu, Chia-Jun; Yeh, Chun-Wei; Proserpio, Davide M.; Chen, Jhy-Der","Ligand isomerism-controlled structural diversity of cadmium(II) perchlorate coordination polymers containing dipyridyladipoamide ligands","CrystEngComm","2009","11","1","168","","10.1039/b812447g","","","0.71073","MoKα","","0.101","0.05","","","0.1048","0.1272","","","","","","1.032","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200282","9.173","0.0011","11.3098","0.0013","11.0517","0.001","90","","107.793","0.008","90","","1091.7","0.2","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 Cd Cl2 N4 O10 -","- C16 H18 Cd Cl2 N4 O10 -","- C32 H36 Cd2 Cl4 N8 O20 -","2","0.5","","Hsu, Yi-Fen; Hu, Hui-Ling; Wu, Chia-Jun; Yeh, Chun-Wei; Proserpio, Davide M.; Chen, Jhy-Der","Ligand isomerism-controlled structural diversity of cadmium(II) perchlorate coordination polymers containing dipyridyladipoamide ligands","CrystEngComm","2009","11","1","168","","10.1039/b812447g","","","0.71073","MoKα","","0.0511","0.0329","","","0.0713","0.0793","","","","","","1.031","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200283","9.6762","0.0011","9.9743","0.0011","12.4337","0.0014","76.553","0.009","78.663","0.009","79.367","0.009","1132.2","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H52 Cd Cl2 N8 O16 -","- C36 H36 Cd Cl2 N8 O16 -","- C36 H36 Cd Cl2 N8 O16 -","1","0.5","","Hsu, Yi-Fen; Hu, Hui-Ling; Wu, Chia-Jun; Yeh, Chun-Wei; Proserpio, Davide M.; Chen, Jhy-Der","Ligand isomerism-controlled structural diversity of cadmium(II) perchlorate coordination polymers containing dipyridyladipoamide ligands","CrystEngComm","2009","11","1","168","","10.1039/b812447g","","","0.71073","MoKα","","0.0808","0.0617","","","0.1467","0.1605","","","","","","1.026","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200284","16.779","0.002","12.1263","0.0013","21.766","0.003","90","","90","","90","","4428.7","0.9","295","2","295","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C36 H48 Cd Cl2 N8 O14 -","- C36 H36 Cd Cl2 N8 O14 -","- C144 H144 Cd4 Cl8 N32 O56 -","4","0.5","","Hsu, Yi-Fen; Hu, Hui-Ling; Wu, Chia-Jun; Yeh, Chun-Wei; Proserpio, Davide M.; Chen, Jhy-Der","Ligand isomerism-controlled structural diversity of cadmium(II) perchlorate coordination polymers containing dipyridyladipoamide ligands","CrystEngComm","2009","11","1","168","","10.1039/b812447g","","","0.71073","MoKα","","0.0763","0.0523","","","0.1381","0.1554","","","","","","1.035","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200285","11.288","0.002","9.671","0.0019","10.281","0.002","90","","97.79","0.03","90","","1112","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 N3 O4 Zn -","- C10 H7 N3 O4 Zn -","- C40 H28 N12 O16 Zn4 -","4","1","","Luo, Feng; Che, Yun-xia; Zheng, Ji-min","Two new metal‒triazole-benzenedicarboxylate frameworks affording an uncommon 3,4-connected net and unique 4,6-connected rod packing: hydrothermal synthesis, structure, thermostability and luminescence studies","CrystEngComm","2009","11","6","1097","","10.1039/b812479e","","x-ray","0.71073","MoKα","","0.0271","0.0237","","","0.0596","0.0613","","","","","","1.045","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200286","18.981","0.007","6.9876","0.0014","25.368","0.005","90","","100.63","0.03","90","","3306.9","1.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H16 Cd4 N6 O15 -","- C28 H16 Cd4 N6 O15 -","- C112 H64 Cd16 N24 O60 -","4","0.5","","Luo, Feng; Che, Yun-xia; Zheng, Ji-min","Two new metal‒triazole-benzenedicarboxylate frameworks affording an uncommon 3,4-connected net and unique 4,6-connected rod packing: hydrothermal synthesis, structure, thermostability and luminescence studies","CrystEngComm","2009","11","6","1097","","10.1039/b812479e","","x-ray","0.71073","MoKα","","0.0925","0.0779","","","0.1348","0.144","","","","","","1.156","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200287","32.9054","0.0006","4.0078","0.0001","12.3689","0.0002","90","","90","","90","","1631.19","0.06","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","nicotinamide:malonic acid 2/1","nicotinamide:malonic acid 2/1","","- C15 H16 N4 O6 -","- C15 H16 N4 O6 -","- C60 H64 N16 O24 -","4","1","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.0394","0.0333","","","0.0839","0.0878","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200288","5.5314","0.0001","13.7844","0.0004","14.2056","0.0005","90","","92.59","0.001","90","","1082.03","0.05","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nictinamide:fumaric acid 1:1","nictinamide:fumaric acid 1:1","","- C10 H10 N2 O5 -","- C10 H10 N2 O5 -","- C40 H40 N8 O20 -","4","1","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.0929","0.0503","","","0.1208","0.1415","","","","","","1.021","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200289","5.4556","0.0005","7.3692","0.0006","15.1945","0.0013","99.413","0.005","94.592","0.005","104.775","0.003","577.95","0.09","180","2","180","2","","","","","","","","4","P -1","-P 1","2","nicotinamide:glutaric acid 1:1","nicotinamide:glutaric acid 1:1","","- C11 H14 N2 O5 -","- C11 H14 N2 O5 -","- C22 H28 N4 O10 -","2","1","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.079","0.0531","","","0.1184","0.1335","","","","","","1.081","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200290","5.011","0.0001","5.3379","0.0001","24.0348","0.0006","93.036","0.001","92.753","0.001","92.189","0.001","640.71","0.02","180","2","180","2","","","","","","","","4","P -1","-P 1","2","nicotinamide:adipic acid 1:1","nicotinamide:adipic acid 1:1","","- C12 H16 N2 O5 -","- C12 H16 N2 O5 -","- C24 H32 N4 O10 -","2","1","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.0575","0.0426","","","0.1063","0.1163","","","","","","1.02","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200291","5.0302","0.0003","5.46","0.0003","16.9903","0.0009","82.38","0.004","89.395","0.004","90.006","0.002","462.49","0.05","180","2","180","2","","","","","","","","4","P -1","-P 1","2","nicotinamide:adipic acid 2:1","nicotinamide:adipic acid 2:1","","- C18 H22 N4 O6 -","- C18 H22 N4 O6 -","- C18 H22 N4 O6 -","1","0.5","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.0782","0.049","","","0.113","0.1285","","","","","","1.021","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200292","5.4425","0.0001","7.3981","0.0002","17.9304","0.0006","99.568","0.002","94.075","0.002","104.177","0.002","685.49","0.03","180","2","180","2","","","","","","","","4","P -1","-P 1","2","nicotinamide:pimelic acid 1:1","nicotinamide:pimelic acid 1:1","","- C13 H18 N2 O5 -","- C13 H18 N2 O5 -","- C26 H36 N4 O10 -","2","1","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.0386","0.0346","","","0.0921","0.0961","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200293","4.9537","0.0001","35.2893","0.0006","8.718","0.0002","90","","94.832","0.001","90","","1518.6","0.05","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nicotinamide:suberic acid 1:1","nicotinamide:suberic acid 1:1","","- C14 H20 N2 O5 -","- C14 H20 N2 O5 -","- C56 H80 N8 O20 -","4","1","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.0331","0.029","","","0.0712","0.0734","","","","","","1.071","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200294","5.0288","0.0003","5.4403","0.0003","18.7537","0.0011","93.062","0.003","94.81","0.003","90.74","0.002","510.45","0.05","180","2","180","2","","","","","","","","4","P -1","-P 1","2","nicotinamide:suberic acid 2:1","nicotinamide:suberic acid 2:1","","- C20 H26 N4 O6 -","- C20 H26 N4 O6 -","- C20 H26 N4 O6 -","1","0.5","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.1719","0.08","","","0.137","0.1764","","","","","","1.045","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200295","8.6455","0.0001","36.5695","0.0006","5.2021","0.0001","90","","90","","90","","1644.7","0.05","180","2","180","2","","","","","","","","4","P n a 21","P 2c -2n","33","nicotinamide:azelaic acid 2:1","nicotinamide:azelaic acid 2:1","","- C15 H22 N2 O5 -","- C15 H22 N2 O5 -","- C60 H88 N8 O20 -","4","1","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.0619","0.0408","","","0.0961","0.1065","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200296","5.0365","0.0002","5.447","0.0002","20.5004","0.0009","89.354","0.002","84.241","0.002","89.872","0.002","559.53","0.04","180","2","180","2","","","","","","","","4","P -1","-P 1","2","nicotinamide:sebacic acid 2:1","nicotinamide:sebacic acid 2:1","","- C22 H30 N4 O6 -","- C22 H30 N4 O6 -","- C22 H30 N4 O6 -","1","0.5","","Karki, Shyam; Friščić, Tomislav; Jones, William","Control and interconversion of cocrystal stoichiometry in grinding: stepwise mechanism for the formation of a hydrogen-bonded cocrystal","CrystEngComm","2009","11","3","470","","10.1039/b812531g","","","0.71073","MoKα","","0.0703","0.0497","","","0.1143","0.1267","","","","","","1.043","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200297","23.405","0.006","13.707","0.006","30.577","0.009","90","","93.075","0.008","90","","9795","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Cu4 (C12H8N2)6 (C24H8S8O24) 4.49H2O","","","- C96 H64.99 Cu4 N12 O28.49 S8 -","- C96 H56 Cu4 N12 O28.484 S8 -","- C384 H224 Cu16 N48 O113.936 S32 -","4","0.5","","Bi, Y. F.; Liao, W. P.; Wang, X. F.; Li, Y. L.; Su, Z. M.; Liu, Y. B.; Zhang, H. J.; Li, D. Q.","Five supramolecular compounds of water-soluble sulfonylcalix[4]arenetetrasulfonate showing two calixarene conformations","CrystEngComm","2009","11","4","597","","10.1039/b812582a","","","0.71073","MoKα","","0.1149","0.0603","","","0.1515","0.1803","","","","","","0.971","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200298","14.5485","0.0016","17.3505","0.0019","21.267","0.002","79.39","0.002","72.937","0.002","71.767","0.002","4849.1","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H82.96 N10 Na O38.88 S8 -","- C84 H32 N10 Na O38.865 S8 -","- C168 H64 N20 Na2 O77.73 S16 -","2","1","","Bi, Y. F.; Liao, W. P.; Wang, X. F.; Li, Y. L.; Su, Z. M.; Liu, Y. B.; Zhang, H. J.; Li, D. Q.","Five supramolecular compounds of water-soluble sulfonylcalix[4]arenetetrasulfonate showing two calixarene conformations","CrystEngComm","2009","11","4","597","","10.1039/b812582a","","","0.71073","MoKα","","0.1656","0.1092","","","0.3154","0.3472","","","","","","1.186","","","","has coordinates","180333","2020-10-21","18:00:00",""
"7200299","15.7743","0.0007","23.2212","0.001","27.8391","0.0012","102.911","0.001","101.887","0.001","97.072","0.001","9572.3","0.7","185","2","185","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H88.39 Mn N10 O40.7 S8 -","- C84 H52 Mn N10 O40.686 S8 -","- C336 H208 Mn4 N40 O162.744 S32 -","4","2","","Bi, Y. F.; Liao, W. P.; Wang, X. F.; Li, Y. L.; Su, Z. M.; Liu, Y. B.; Zhang, H. J.; Li, D. Q.","Five supramolecular compounds of water-soluble sulfonylcalix[4]arenetetrasulfonate showing two calixarene conformations","CrystEngComm","2009","11","4","597","","10.1039/b812582a","","","0.71073","MoKα","","0.1341","0.0893","","","0.2588","0.2884","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200300","12.5614","0.0011","27.357","0.002","17.1673","0.0011","90","","129.566","0.004","90","","4547.8","0.7","185","2","185","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cu4 (C10H8N2)6 (C24H12S8O16) 8.62H2O","","","- C84 H73.24 Cu4 N12 O32.62 S8 -","- C84 H72 Cu4 N12 O32.62 S8 -","- C168 H144 Cu8 N24 O65.24 S16 -","2","0.5","","Bi, Y. F.; Liao, W. P.; Wang, X. F.; Li, Y. L.; Su, Z. M.; Liu, Y. B.; Zhang, H. J.; Li, D. Q.","Five supramolecular compounds of water-soluble sulfonylcalix[4]arenetetrasulfonate showing two calixarene conformations","CrystEngComm","2009","11","4","597","","10.1039/b812582a","","","0.71073","MoKα","","0.0586","0.0426","","","0.0959","0.1041","","","","","","1.022","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200301","12.6793","0.0014","13.7736","0.0015","14.5737","0.0016","94.752","0.002","93.952","0.002","107.064","0.001","2413.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C96 H78 N12 O35 S8 Zn4 -","- C96 H77.98 N12 O34.99 S8 Zn4 -","- C96 H77.98 N12 O34.99 S8 Zn4 -","1","0.5","","Bi, Y. F.; Liao, W. P.; Wang, X. F.; Li, Y. L.; Su, Z. M.; Liu, Y. B.; Zhang, H. J.; Li, D. Q.","Five supramolecular compounds of water-soluble sulfonylcalix[4]arenetetrasulfonate showing two calixarene conformations","CrystEngComm","2009","11","4","597","","10.1039/b812582a","","","0.71073","MoKα","","0.0864","0.0565","","","0.1128","0.1234","","","","","","0.98","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200302","37.129","0.007","14.135","0.004","26.074","0.003","90","","90","","90","","13684","5","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C58 H72 N14 Ni2 O15 -","- C40 H28 N8 Ni2 O9 -","- C320 H224 N64 Ni16 O72 -","8","0.5","","Yang, Guang-Sheng; Lan, Ya-Qian; Zang, Hong-Ying; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min; Jiang, Chun-Jie","Two eight-connected self-penetrating porous metal‒organic frameworks: configurational isomers caused by different linking modes between terephthalate and binuclear nickel building units","CrystEngComm","2009","11","2","274","","10.1039/b812643g","","","0.71069","MoKα","","0.0686","0.0607","","","0.1693","0.1759","","","","","","0.985","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200303","14.248","0.004","26.912","0.009","18.125","0.003","90","","100.584","0.006","90","","6832","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H75 N13 Ni2 O14 -","- C40 H28 N8 Ni2 O9 -","- C160 H112 N32 Ni8 O36 -","4","0.5","","Yang, Guang-Sheng; Lan, Ya-Qian; Zang, Hong-Ying; Shao, Kui-Zhan; Wang, Xin-Long; Su, Zhong-Min; Jiang, Chun-Jie","Two eight-connected self-penetrating porous metal‒organic frameworks: configurational isomers caused by different linking modes between terephthalate and binuclear nickel building units","CrystEngComm","2009","11","2","274","","10.1039/b812643g","","","0.71069","MoKα","","0.0793","0.0424","","","0.0638","0.0669","","","","","","0.987","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200304","13.3617","0.0002","13.3617","0.0002","15.8651","0.0005","90","","90","","120","","2453","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C75 H27 I2 N6 -","- C75 H27 I1.995 N6 -","- C150 H54 I3.99 N12 -","2","1","","Konarev, Dmitry V.; Khasanov, Salavat S.; Otsuka, Akihiro; Saito, Gunzi; Lyubovskaya, Rimma N.","Ionic fullerene complex (DMI+)3·(C60˙−)·(I−)2 with 2H-hexagonal fullerene packing and 3-D DMI±I− network","CrystEngComm","2009","11","5","811","","10.1039/b812803k","","","0.71073","MoKα","","0.0647","0.0524","","","0.1602","0.1696","","","","","","1.092","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200305","13.3617","0.0002","13.3617","0.0002","15.8651","0.0005","90","","90","","120","","2453","0.09","100","2","100","2","","","","","","","","4","P -3 1 c","-P 3 2c","163","","","","- C75 H27 I2 N6 -","- C76.2 H27 I2 N6 -","- C152.4 H54 I4 N12 -","2","0.166667","","Konarev, Dmitry V.; Khasanov, Salavat S.; Otsuka, Akihiro; Saito, Gunzi; Lyubovskaya, Rimma N.","Ionic fullerene complex (DMI+)3·(C60˙−)·(I−)2 with 2H-hexagonal fullerene packing and 3-D DMI±I− network","CrystEngComm","2009","11","5","811","","10.1039/b812803k","","","0.71073","MoKα","","0.0838","0.0772","","","0.2324","0.2401","","","","","","1.081","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200306","8.5289","0.0015","6.0505","0.001","14.924","0.002","90","","96.613","0.002","90","","765","0.2","298","2","298","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C12 H13 Cd N O6 S2 -","- C12 H13 Cd N O6 S2 -","- C24 H26 Cd2 N2 O12 S4 -","2","1","","Chen, Zilu; Su, Yan; Xiong, Wei; Wang, Lixia; Liang, Fupei; Shao, Min","Controlling the dimensionalities and structures of homochiral Zn(ii) and Cd(ii) compounds of N-(p-tosyl)-S-carboxymethyl-l-cysteine via tuning the connecting modes of metal ions and chiral linkers by different kinds of ancillary ligands","CrystEngComm","2009","11","2","318","328","10.1039/b812807c","","","0.71073","MoKα","","0.0216","0.0204","","","0.0494","0.0503","","","","","","1.049","","","","has coordinates","218444","2020-10-21","18:00:00",""
"7200307","10.7419","0.0008","11.0361","0.0008","11.7804","0.0009","90","","115.396","0.001","90","","1261.6","0.16","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H23 Cd N3 O7 S2 -","- C22 H23 Cd N3 O7 S2 -","- C44 H46 Cd2 N6 O14 S4 -","2","1","","Chen, Zilu; Su, Yan; Xiong, Wei; Wang, Lixia; Liang, Fupei; Shao, Min","Controlling the dimensionalities and structures of homochiral Zn(ii) and Cd(ii) compounds of N-(p-tosyl)-S-carboxymethyl-l-cysteine via tuning the connecting modes of metal ions and chiral linkers by different kinds of ancillary ligands","CrystEngComm","2009","11","2","318","328","10.1039/b812807c","","","0.71073","MoKα","","0.0252","0.023","","","0.0513","0.0522","","","","","","1.039","","","","has coordinates,has disorder","218444","2020-10-21","18:00:00",""
"7200308","10.543","0.007","4.99","0.003","18.508","0.013","90","","95.337","0.01","90","","969.5","1.1","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H19 Cd N3 O7 S2 -","- C15 H19 Cd N3 O7 S2 -","- C30 H38 Cd2 N6 O14 S4 -","2","1","","Chen, Zilu; Su, Yan; Xiong, Wei; Wang, Lixia; Liang, Fupei; Shao, Min","Controlling the dimensionalities and structures of homochiral Zn(ii) and Cd(ii) compounds of N-(p-tosyl)-S-carboxymethyl-l-cysteine via tuning the connecting modes of metal ions and chiral linkers by different kinds of ancillary ligands","CrystEngComm","2009","11","2","318","328","10.1039/b812807c","","","0.71073","MoKα","","0.1027","0.0857","","","0.2143","0.2359","","","","","","1.04","","","","has coordinates","218444","2020-10-21","18:00:00",""
"7200309","5.0605","0.0008","10.4608","0.0017","36.916","0.006","90","","90","","90","","1954.2","0.5","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H19 N3 O7 S2 Zn -","- C15 H19 N3 O7 S2 Zn -","- C60 H76 N12 O28 S8 Zn4 -","4","1","","Chen, Zilu; Su, Yan; Xiong, Wei; Wang, Lixia; Liang, Fupei; Shao, Min","Controlling the dimensionalities and structures of homochiral Zn(ii) and Cd(ii) compounds of N-(p-tosyl)-S-carboxymethyl-l-cysteine via tuning the connecting modes of metal ions and chiral linkers by different kinds of ancillary ligands","CrystEngComm","2009","11","2","318","328","10.1039/b812807c","","","0.71073","MoKα","","0.0505","0.0405","","","0.0835","0.0881","","","","","","1.041","","","","has coordinates","218444","2020-10-21","18:00:00",""
"7200310","26.545","0.004","6.8628","0.001","17.018","0.003","90","","120.68","0.002","90","","2666.3","0.7","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C44 H50 N6 O16 S4 Zn2 -","- C44 H50 N6 O16 S4 Zn2 -","- C88 H100 N12 O32 S8 Zn4 -","2","0.5","","Chen, Zilu; Su, Yan; Xiong, Wei; Wang, Lixia; Liang, Fupei; Shao, Min","Controlling the dimensionalities and structures of homochiral Zn(ii) and Cd(ii) compounds of N-(p-tosyl)-S-carboxymethyl-l-cysteine via tuning the connecting modes of metal ions and chiral linkers by different kinds of ancillary ligands","CrystEngComm","2009","11","2","318","328","10.1039/b812807c","","","0.71073","MoKα","","0.0785","0.0546","","","0.1316","0.1495","","","","","","1.008","","","","has coordinates,has disorder","218444","2020-10-21","18:00:00",""
"7200311","6.2403","0.0003","10.7398","0.0004","14.7067","0.0007","98.713","0.003","91.987","0.002","101.32","0.003","953.2","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","1,1-bis(4-hydroxyphenyl)cyclohexane 1-butanol clathrate","","- C22 H30 O3 -","- C22 H30 O3 -","- C44 H60 O6 -","2","1","","Linder, Peter W.; Nassimbeni, Luigi R.; Su, Hong","Selectivity of butanol isomers by enclathration","CrystEngComm","2009","11","1","192","","10.1039/b812887a","","","0.71073","MoKα","","0.0843","0.047","","","0.1122","0.132","","","","","","1.029","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200312","6.2995","0.001","28.658","0.002","10.9868","0.001","90","","102.579","0.003","90","","1935.8","0.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1,1-bis(4-hydroxyphenyl)cyclohexane 2-butanol clathrate","","- C22 H30 O3 -","- C22 H30 O3 -","- C88 H120 O12 -","4","1","","Linder, Peter W.; Nassimbeni, Luigi R.; Su, Hong","Selectivity of butanol isomers by enclathration","CrystEngComm","2009","11","1","192","","10.1039/b812887a","","","0.71073","MoKα","","0.108","0.0564","","","0.1433","0.172","","","","","","1","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200313","6.2259","0.0002","10.8829","0.0006","15.2046","0.0008","94.029","0.002","100.875","0.003","101.498","0.003","985.15","0.08","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","1,1-bis(4-hydroxyphenyl)cyclohexane iso-butanol clathrate","","- C22 H30 O3 -","- C22 H30 O3 -","- C44 H60 O6 -","2","1","","Linder, Peter W.; Nassimbeni, Luigi R.; Su, Hong","Selectivity of butanol isomers by enclathration","CrystEngComm","2009","11","1","192","","10.1039/b812887a","","","0.71073","MoKα","","0.0839","0.0443","","","0.1022","0.1202","","","","","","1.021","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200314","15.203","0.002","15.203","0.002","5.019","0.001","90","","90","","90","","1160","0.3","291","2","291","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C4 H6 Ag N3 -","- C4 H6 Ag N3 -","- C32 H48 Ag8 N24 -","8","0.5","","Yang, Guang; Zhang, Pei-Pei; Liu, Li-Li; Kou, Jun-Feng; Hou, Hong-Wei; Fan, Yao-Ting","3D binary silver(I) 1,2,4-triazolates: syntheses, structures and topologies","CrystEngComm","2009","11","4","663","","10.1039/b813024h","","","0.71073","MoKα","","0.0266","0.0253","","","0.0553","0.0559","","","","","","1.048","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200315","12.536","0.003","28.624","0.006","8.8755","0.0018","90","","95.67","0.03","90","","3169.2","1.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H10 Ag N3 -","- C6 H10 Ag N3 -","- C96 H160 Ag16 N48 -","16","2","","Yang, Guang; Zhang, Pei-Pei; Liu, Li-Li; Kou, Jun-Feng; Hou, Hong-Wei; Fan, Yao-Ting","3D binary silver(I) 1,2,4-triazolates: syntheses, structures and topologies","CrystEngComm","2009","11","4","663","","10.1039/b813024h","","","0.71073","MoKα","","0.0334","0.0237","","","0.0525","0.0568","","","","","","1.061","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200316","10.158","0.002","18.547","0.004","17.533","0.004","90","","96.64","0.03","90","","3281.1","1.2","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 Ag3 N9 -","- C24 H40.626 Ag3 N9 -","- C96 H162.504 Ag12 N36 -","4","1","","Yang, Guang; Zhang, Pei-Pei; Liu, Li-Li; Kou, Jun-Feng; Hou, Hong-Wei; Fan, Yao-Ting","3D binary silver(I) 1,2,4-triazolates: syntheses, structures and topologies","CrystEngComm","2009","11","4","663","","10.1039/b813024h","","","0.71073","MoKα","","0.0489","0.0309","","","0.0764","0.0862","","","","","","1.011","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200317","11.932","0.003","11.932","","12.776","0.003","90","","90","","120","","1575.3","0.5","298","2","298","2","","","","","","","","4","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C8 H14 Ag N3 -","- C8 H14 Ag N3 -","- C48 H84 Ag6 N18 -","6","0.5","","Yang, Guang; Zhang, Pei-Pei; Liu, Li-Li; Kou, Jun-Feng; Hou, Hong-Wei; Fan, Yao-Ting","3D binary silver(I) 1,2,4-triazolates: syntheses, structures and topologies","CrystEngComm","2009","11","4","663","","10.1039/b813024h","","","0.71073","MoKα","","0.0333","0.0316","","","0.0761","0.0774","","","","","","1.089","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200318","13.6784","0.0019","13.6784","0.0019","39.742","0.008","90","","90","","90","","7436","2","298","2","298","2","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- C14 H10 Ag N3 -","- C14 H10 Ag N3 -","- C336 H240 Ag24 N72 -","24","1.5","","Yang, Guang; Zhang, Pei-Pei; Liu, Li-Li; Kou, Jun-Feng; Hou, Hong-Wei; Fan, Yao-Ting","3D binary silver(I) 1,2,4-triazolates: syntheses, structures and topologies","CrystEngComm","2009","11","4","663","","10.1039/b813024h","","","0.71073","MoKα","","0.0327","0.0304","","","0.0683","0.0693","","","","","","1.156","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200319","15.8572","0.0006","20.4459","0.0008","23.548","0.0009","106.003","0.002","103.677","0.002","95.378","0.002","7026.7","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- Co10 H176 K15 Li5 O272 P8 W48 -","- Co8.4 K14.6 Li5 O264.2 P8 W48 -","- Co8.4 K14.6 Li5 O264.2 P8 W48 -","1","0.5","","Mitchell, Scott G.; Gabb, David; Ritchie, Chris; Hazel, Nick; Long, De-Liang; Cronin, Leroy","Controlling nucleation of the cyclic heteropolyanion {P8W48}: a cobalt-substituted phosphotungstate chain and network","CrystEngComm","2009","11","1","36","","10.1039/b813066c","","","0.71073","MoKα","","0.1324","0.0573","","","0.1216","0.1536","","","","","","1.008","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200320","25.3366","0.001","24.2239","0.0005","25.7804","0.0006","90","","111.247","0.003","90","","14747.2","0.8","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- Co10 H208 K8 Li12 O288 P8 W48 -","- Co9.9 K7.6 Li12 O230.6 P8 W48 -","- Co19.8 K15.2 Li24 O461.2 P16 W96 -","2","0.5","","Mitchell, Scott G.; Gabb, David; Ritchie, Chris; Hazel, Nick; Long, De-Liang; Cronin, Leroy","Controlling nucleation of the cyclic heteropolyanion {P8W48}: a cobalt-substituted phosphotungstate chain and network","CrystEngComm","2009","11","1","36","","10.1039/b813066c","","","0.71073","MoKα","","0.1268","0.0733","","","0.188","0.2094","","","","","","0.949","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200321","11.403","0.002","4.4101","0.001","30.27","0.006","90","","100.807","0.005","90","","1495.2","0.5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Portell, Anna; Barbas, Rafael; Braga, Dario; Polito, Marco; Puigjaner, Cristina; Prohens, Rafel","New polymorphic hydrogen bonding donor‒acceptor system with two temperature coincident solid‒solid transitions","CrystEngComm","2009","11","1","52","","10.1039/b813086h","","","0.71073","MoKα","","0.0849","0.0623","","","0.1533","0.1776","","","","","","1.134","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200322","30.4956","0.0018","6.0254","0.0003","8.1984","0.0005","90","","96.76","0.006","90","","1495.97","0.15","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","0.5","","Portell, Anna; Barbas, Rafael; Braga, Dario; Polito, Marco; Puigjaner, Cristina; Prohens, Rafel","New polymorphic hydrogen bonding donor‒acceptor system with two temperature coincident solid‒solid transitions","CrystEngComm","2009","11","1","52","","10.1039/b813086h","","","0.71073","MoKα","","0.1277","0.076","","","0.1771","0.1971","","","","","","1.122","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200324","7.3641","0.0018","18.938","0.005","8.707","0.002","90","","97.859","0.004","90","","1202.9","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N8 O4 -","- C22 H30 N8 O4 -","- C44 H60 N16 O8 -","2","0.5","","Xu, Guan-Cheng; Hua, Qin; Okamura, Taka-aki; Bai, Zheng-Shuai; Ding, Yu-Jie; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(ii) coordination polymers with flexible tetradentate ligand 1,2,4,5-tetrakis(imidazol-1-ylmethyl)benzene: anion effect and reversible anion exchange property","CrystEngComm","2009","11","2","261","","10.1039/b813220h","","","0.71073","MoKα","","0.0466","0.0436","","","0.1242","0.1273","","","","","","1","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200325","21.5594","0.0012","21.5594","0.0012","14.9195","0.0016","90","","90","","120","","6005.6","0.8","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C66 H78 Cd2 N28 O18 -","- C66 H66 Cd2 N28.02 O18.06 -","- C198 H198 Cd6 N84.06 O54.18 -","3","0.166667","","Xu, Guan-Cheng; Hua, Qin; Okamura, Taka-aki; Bai, Zheng-Shuai; Ding, Yu-Jie; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(ii) coordination polymers with flexible tetradentate ligand 1,2,4,5-tetrakis(imidazol-1-ylmethyl)benzene: anion effect and reversible anion exchange property","CrystEngComm","2009","11","2","261","","10.1039/b813220h","","","0.71073","MoKα","","0.0797","0.0691","","","0.2181","0.2287","","","","","","1","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200326","21.297","0.006","21.297","0.006","15.38","0.004","90","","90","","120","","6041","3","200","","200","","","","","","","","","6","R -3 :H","-R 3","148","(Cd2(L)3)(ClO4)4-2(H2O)","[Cd2(L)3](ClO4)4-2(H2O)","","- C66 H70 Cd2 Cl4 N24 O18 -","- C66 H66 Cd2 Cl4.02 N24 O18.12 -","- C198 H198 Cd6 Cl12.06 N72 O54.36 -","3","0.166667","","Xu, Guan-Cheng; Hua, Qin; Okamura, Taka-aki; Bai, Zheng-Shuai; Ding, Yu-Jie; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(ii) coordination polymers with flexible tetradentate ligand 1,2,4,5-tetrakis(imidazol-1-ylmethyl)benzene: anion effect and reversible anion exchange property","CrystEngComm","2009","11","2","261","","10.1039/b813220h","","","0.71075","MoKα","","0.0781","0.0589","","","0.1175","0.1249","","","","","","1.073","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200327","21.218","0.005","21.218","0.005","15.259","0.004","90","","90","","120","","5949","3","200","","200","","","","","","","","","7","R -3 :H","-R 3","148","(Cd2(L)3)(BF4)4-2(H2O)","[Cd2(L)3](BF4)4-2(H2O)","","- C66 H70 B4 Cd2 F16 N24 O2 -","- C66 H66 B4.02 Cd2 F16.08 N24 O2.04 -","- C198 H198 B12.06 Cd6 F48.24 N72 O6.12 -","3","0.166667","","Xu, Guan-Cheng; Hua, Qin; Okamura, Taka-aki; Bai, Zheng-Shuai; Ding, Yu-Jie; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(ii) coordination polymers with flexible tetradentate ligand 1,2,4,5-tetrakis(imidazol-1-ylmethyl)benzene: anion effect and reversible anion exchange property","CrystEngComm","2009","11","2","261","","10.1039/b813220h","","","0.71075","MoKα","","0.0554","0.041","","","0.1002","0.1069","","","","","","1.089","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200328","11.0403","0.0016","8.906","0.0013","13.64","0.002","90","","109.155","0.003","90","","1266.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 Cd Cl2 N8 O2 -","- C22 H26 Cd Cl2 N8 O2 -","- C44 H52 Cd2 Cl4 N16 O4 -","2","0.5","","Xu, Guan-Cheng; Hua, Qin; Okamura, Taka-aki; Bai, Zheng-Shuai; Ding, Yu-Jie; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(ii) coordination polymers with flexible tetradentate ligand 1,2,4,5-tetrakis(imidazol-1-ylmethyl)benzene: anion effect and reversible anion exchange property","CrystEngComm","2009","11","2","261","","10.1039/b813220h","","","0.71073","MoKα","","0.056","0.0462","","","0.1086","0.1141","","","","","","1.071","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200329","12.839","0.003","14.41","0.004","15.128","0.004","80.422","0.011","69.344","0.01","65.301","0.011","2378.7","1.1","200","","200","","","","","","","","","6","P -1","-P 1","2","(Cd2(H2O)(SO4)2(L)2)-2(H2O)","[Cd2(H2O)(SO4)2(L)2]-2(H2O)","","- C44 H50 Cd2 N16 O11 S2 -","- C44 H50 Cd2 N16 O11 S2 -","- C88 H100 Cd4 N32 O22 S4 -","2","1","","Xu, Guan-Cheng; Hua, Qin; Okamura, Taka-aki; Bai, Zheng-Shuai; Ding, Yu-Jie; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(ii) coordination polymers with flexible tetradentate ligand 1,2,4,5-tetrakis(imidazol-1-ylmethyl)benzene: anion effect and reversible anion exchange property","CrystEngComm","2009","11","2","261","","10.1039/b813220h","","","0.71075","MoKα","","0.0338","0.0276","","","0.0613","0.0637","","","","","","1.043","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200330","10.116","0.002","10.116","0.002","31.186","0.005","90","","90","","90","","3191.4","1","200","","200","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","(Cd2(OH2)3(OSO3)2(L))-4(H2O)","[Cd2(OH2)3(OSO3)2(L)]-4(H2O)","","- C22 H36 Cd2 N8 O15 S2 -","- C22 H36 Cd2 N8 O15 S2 -","- C88 H144 Cd8 N32 O60 S8 -","4","0.5","","Xu, Guan-Cheng; Hua, Qin; Okamura, Taka-aki; Bai, Zheng-Shuai; Ding, Yu-Jie; Huang, Yong-Qing; Liu, Guang-Xiang; Sun, Wei-Yin; Ueyama, Norikazu","Cadmium(ii) coordination polymers with flexible tetradentate ligand 1,2,4,5-tetrakis(imidazol-1-ylmethyl)benzene: anion effect and reversible anion exchange property","CrystEngComm","2009","11","2","261","","10.1039/b813220h","","","0.71075","MoKα","","0.022","0.0209","","","0.0437","0.044","","","","","","1.075","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200331","12.0877","0.0015","16.227","0.002","9.2338","0.0011","90","","109.345","0.002","90","","1708.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Copper(ii) oxybis(benzoate)","","","- C16 H14 Cu O6 S -","- C16 H14 Cu O6 S -","- C64 H56 Cu4 O24 S4 -","4","1","","Xue, Dong-Xu; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Syntheses, structures and sorption properties of two framework-isomeric porous copper-coordination polymers","CrystEngComm","2009","11","1","183","","10.1039/b813226g","","","0.71073","MoKα","","0.0782","0.0508","","","0.1096","0.1237","","","","","","1.017","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200332","30.8976","0.0012","16.0853","0.0005","20.92","0.0006","90","","124.48","0.002","90","","8570.6","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Copper(ii) oxybis(benzoate)","","","- C33 H29 Cu2 N O12 -","- C33 H29 Cu2 N O12 -","- C264 H232 Cu16 N8 O96 -","8","1","","Xue, Dong-Xu; Lin, Jian-Bin; Zhang, Jie-Peng; Chen, Xiao-Ming","Syntheses, structures and sorption properties of two framework-isomeric porous copper-coordination polymers","CrystEngComm","2009","11","1","183","","10.1039/b813226g","","","0.71073","MoKα","","0.1143","0.0622","","","0.1724","0.1806","","","","","","1.029","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200333","12.593","0.003","13.734","0.003","17.69","0.003","90","","97.43","0.011","90","","3033.8","1.1","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H80 Fe2 N2 S12 -","- C48 H80 Fe2 N2 S12 -","- C96 H160 Fe4 N4 S24 -","2","0.5","","Neves, Ana Isabel Soares; Santos, Isabel Cordeiro; Belo, Dulce; Almeida, Manuel","Cation and ligand roles in the coordination of FeIII bisdithiolene complexes; the crystal structures of (BrBzPy)2[Fe(qdt)2]2 and [Fe(α-tpdt)2]22− salts","CrystEngComm","2009","11","6","1046","","10.1039/b813242a","","","0.71073","MoKα","","0.3038","0.1322","","","0.3258","0.3878","","","","","","1.041","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200334","7.3129","0.0004","11.4865","0.0007","17.0461","0.0011","100.625","0.003","98.672","0.003","106.991","0.003","1313.6","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H38 Br2 Fe2 N10 S8 -","- C56 H38 Br2 Fe2 N10 S8 -","- C56 H38 Br2 Fe2 N10 S8 -","1","0.5","","Neves, Ana Isabel Soares; Santos, Isabel Cordeiro; Belo, Dulce; Almeida, Manuel","Cation and ligand roles in the coordination of FeIII bisdithiolene complexes; the crystal structures of (BrBzPy)2[Fe(qdt)2]2 and [Fe(α-tpdt)2]22− salts","CrystEngComm","2009","11","6","1046","","10.1039/b813242a","","","0.71073","MoKα","","0.0933","0.0424","","","0.0723","0.0812","","","","","","0.903","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200335","12.5925","0.0006","11.089","0.0005","16.2457","0.0008","90","","106.464","0.003","90","","2175.51","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Fe2 N2 S12 -","- C32 H48 Fe2 N2 S12 -","- C64 H96 Fe4 N4 S24 -","2","0.5","","Neves, Ana Isabel Soares; Santos, Isabel Cordeiro; Belo, Dulce; Almeida, Manuel","Cation and ligand roles in the coordination of FeIII bisdithiolene complexes; the crystal structures of (BrBzPy)2[Fe(qdt)2]2 and [Fe(α-tpdt)2]22− salts","CrystEngComm","2009","11","6","1046","","10.1039/b813242a","","","0.71069","MoKα","","0.1424","0.0627","","","0.1547","0.1794","","","","","","0.97","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200336","9.3573","0.0005","25.3284","0.0015","10.0811","0.0006","90","","100.854","0.003","90","","2346.5","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Br2 Fe2 N2 S12 -","- C40 H30 Br2 Fe2 N2 S12 -","- C80 H60 Br4 Fe4 N4 S24 -","2","0.5","","Neves, Ana Isabel Soares; Santos, Isabel Cordeiro; Belo, Dulce; Almeida, Manuel","Cation and ligand roles in the coordination of FeIII bisdithiolene complexes; the crystal structures of (BrBzPy)2[Fe(qdt)2]2 and [Fe(α-tpdt)2]22− salts","CrystEngComm","2009","11","6","1046","","10.1039/b813242a","","","0.71073","MoKα","","0.1621","0.0583","","","0.1346","0.1604","","","","","","0.867","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200337","17.693","0.007","4.8374","0.0019","9.883","0.004","90","","99.391","0.01","90","","834.5","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 I2 N2 O2 -","- C16 H14 I2 N2 O2 -","- C32 H28 I4 N4 O4 -","2","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0314","0.0278","","","0.0979","0.1038","","","","","","0.882","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200338","18.979","0.007","4.8064","0.0018","10.089","0.004","90","","93.319","0.01","90","","918.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 I2 N2 O2 -","- C18 H18 I2 N2 O2 -","- C36 H36 I4 N4 O4 -","2","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0352","0.0309","","","0.0837","0.0983","","","","","","1.237","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200339","22.8808","0.0017","4.798","0.0004","10.2227","0.0008","90","","95.371","0.002","90","","1117.34","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 I2 N2 O2 -","- C22 H26 I2 N2 O2 -","- C44 H52 I4 N4 O4 -","2","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0392","0.0276","","","0.0781","0.0938","","","","","","1.145","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200340","17.08","0.007","4.813","0.002","9.831","0.004","90","","100.057","0.012","90","","795.7","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Br2 N2 O2 -","- C16 H14 Br2 N2 O2 -","- C32 H28 Br4 N4 O4 -","2","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0649","0.0392","","","0.1186","0.1427","","","","","","1.008","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200341","4.9461","0.0005","8.6603","0.0009","10.7293","0.0011","90.812","0.003","100.267","0.003","96.325","0.003","449.21","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 Br2 N2 O2 -","- C18 H18 Br2 N2 O2 -","- C18 H18 Br2 N2 O2 -","1","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0528","0.0396","","","0.1258","0.1341","","","","","","1.074","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200342","22.113","0.003","5.1003","0.0007","17.945","0.003","90","","106.259","0.004","90","","1942.9","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Br2 N2 O2 -","- C20 H22 Br2 N2 O2 -","- C80 H88 Br8 N8 O8 -","4","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0483","0.0301","","","0.0781","0.0838","","","","","","1.023","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200343","8.4189","0.0006","9.4168","0.0006","9.7128","0.0007","90","","92.498","0.002","90","","769.29","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cl2 N2 O2 -","- C16 H14 Cl2 N2 O2 -","- C32 H28 Cl4 N4 O4 -","2","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0417","0.0389","","","0.1606","0.1643","","","","","","1.485","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200344","8.2555","0.0007","10.9653","0.0009","9.4726","0.0008","90","","96.294","0.002","90","","852.33","0.12","293","2","243","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Cl2 N2 O2 -","- C18 H18 Cl2 N2 O2 -","- C36 H36 Cl4 N4 O4 -","2","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0317","0.0302","","","0.0833","0.0845","","","","","","1.065","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200345","21.87","0.008","5.1043","0.0019","17.683","0.007","90","","105.685","0.01","90","","1900.5","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Cl2 N2 O2 -","- C20 H22 Cl2 N2 O2 -","- C80 H88 Cl8 N8 O8 -","4","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0442","0.0364","","","0.1022","0.1063","","","","","","1.038","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200346","7.7199","0.0004","5.7814","0.0003","32.4814","0.0017","90","","94.019","0.002","90","","1446.14","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 F2 N2 O2 -","- C16 H14 F2 N2 O2 -","- C64 H56 F8 N8 O8 -","4","1","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0751","0.0548","","","0.167","0.1817","","","","","","1.044","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200347","11.3328","0.0008","9.5211","0.0006","15.3985","0.0011","90","","90","","90","","1661.5","0.2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H18 F2 N2 O2 -","- C18 H18 F2 N2 O2 -","- C72 H72 F8 N8 O8 -","4","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0629","0.0459","","","0.1377","0.1483","","","","","","1.034","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200348","18.084","0.003","5.0326","0.0007","39.311","0.005","90","","96.792","0.004","90","","3552.6","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 F2 N2 O2 -","- C20 H22 F2 N2 O2 -","- C160 H176 F16 N16 O16 -","8","1","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0901","0.0501","","","0.1225","0.1427","","","","","","0.978","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200349","18.1488","0.0012","5.0327","0.0003","43.84","0.003","90","","99.817","0.002","90","","3945.6","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H26 F2 N2 O2 -","- C22 H26 F2 N2 O2 -","- C176 H208 F16 N16 O16 -","8","1","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0843","0.052","","","0.15","0.17","","","","","","1.002","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200350","17.459","0.005","4.8268","0.0013","9.851","0.003","90","","99.666","0.009","90","","818.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Br I N2 O2 -","- C16 H14 Br I N2 O2 -","- C32 H28 Br2 I2 N4 O4 -","2","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0827","0.0428","","","0.1118","0.1494","","","","","","1.116","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200351","18.9243","0.0009","4.8077","0.0002","10.1235","0.0005","90","","93.535","0.001","90","","919.31","0.07","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br I N2 O2 -","- C18 H18 Br I N2 O2 -","- C36 H36 Br2 I2 N4 O4 -","2","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0344","0.0307","","","0.0894","0.0922","","","","","","1.09","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200352","9.751","0.0006","11.2001","0.0007","9.6534","0.0006","90","","119.494","0.002","90","","917.64","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 Br Cl N2 O2 -","- C18 H18 Br Cl N2 O2 -","- C36 H36 Br2 Cl2 N4 O4 -","2","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0773","0.0475","","","0.1263","0.1341","","","","","","0.892","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200353","22.022","0.004","5.1048","0.001","17.836","0.003","90","","106.024","0.005","90","","1927.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 Br Cl N2 O2 -","- C20 H22 Br Cl N2 O2 -","- C80 H88 Br4 Cl4 N8 O8 -","4","0.5","","Samai, Suman; Biradha, Kumar","Halogen⋯halogen interactions in assembling β-sheets into 2D layers in the bis-(4-halo-phenylamido)alkanes and their co-crystals via inter-halogen interactions","CrystEngComm","2009","11","3","482","492","10.1039/b813263a","","","0.71073","MoKα","","0.0574","0.0336","","","0.0818","0.089","","","","","","0.974","","","","has coordinates","218447","2020-10-21","18:00:00",""
"7200354","9.751","0.002","9.591","0.0019","16.301","0.003","90","","97.27","0.03","90","","1512.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl N3 O -","- C16 H18 Cl N3 O -","- C64 H72 Cl4 N12 O4 -","4","1","","Jenkins, Samir; Incarvito, Christopher D.; Parr, Jonathan; Wasserman, Harry H.","Structural studies of C-ring substituted unnatural analogues of prodigiosin","CrystEngComm","2009","11","2","242","245","10.1039/b813351d","","","0.71073","MoKα","","0.236","0.0846","","","0.1663","0.2297","","","","","","0.959","","","","has coordinates","218450","2020-10-21","18:00:00",""
"7200355","17.048","0.003","17.811","0.004","9.3594","0.0019","90","","93.61","0.03","90","","2836.3","1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N3 O -","- C16 H17 N3 O -","- C128 H136 N24 O8 -","8","2","","Jenkins, Samir; Incarvito, Christopher D.; Parr, Jonathan; Wasserman, Harry H.","Structural studies of C-ring substituted unnatural analogues of prodigiosin","CrystEngComm","2009","11","2","242","245","10.1039/b813351d","","","0.71073","MoKα","","0.2305","0.0832","","","0.1587","0.2041","","","","","","1.007","","","","has coordinates","218450","2020-10-21","18:00:00",""
"7200356","7.377","0.008","8.038","0.003","33.627","0.006","90","","95.6","0.04","90","","1984","2","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C21 H20 Cl N4 O S -","- C21 H20 Cl N4 O S -","- C84 H80 Cl4 N16 O4 S4 -","4","1","","Portell, Anna; Barbas, Rafael; Font-Bardia, Mercè; Dalmases, Pere; Prohens, Rafel; Puigjaner, Cristina","Ziprasidone malate, a new trimorphic salt with improved aqueous solubility","CrystEngComm","2009","11","5","791","","10.1039/b813401d","","","0.71073","MoKα","","0.1451","0.0508","","","0.1441","0.2362","","","","","","0.995","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200357","19.7","0.02","4.891","0.006","9.64","0.012","90","","95.33","0.02","90","","924.8","1.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 O4 Zn -","- C10 H8 O4 Zn -","- C40 H32 O16 Zn4 -","4","1","","Liu, Tianfu; Lü, Jian; Shi, Linxi; Guo, Zhengang; Cao, Rong","Conformation control of a flexible 1,4-phenylenediacetate ligand in coordination complexes: a rigidity-modulated strategy","CrystEngComm","2009","11","4","583","","10.1039/b813444h","","","0.7107","MoKα","","0.0587","0.0463","","","0.1372","0.1696","","","","","","1.08","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200358","9.836","0.007","6.149","0.004","8.882","0.006","90","","100.85","0.015","90","","527.6","0.6","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Mn O6 -","- C10 H8 Mn O6 -","- C20 H16 Mn2 O12 -","2","0.5","","Liu, Tianfu; Lü, Jian; Shi, Linxi; Guo, Zhengang; Cao, Rong","Conformation control of a flexible 1,4-phenylenediacetate ligand in coordination complexes: a rigidity-modulated strategy","CrystEngComm","2009","11","4","583","","10.1039/b813444h","","","0.71073","MoKα","","0.069","0.0398","","","0.1348","0.1789","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200359","9.7","0.004","10.47","0.005","10.5","0.005","113.98","0.004","96.83","0.004","105.56","0.002","906.6","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N2 O5 Zn -","- C20 H16 N2 O5 Zn -","- C40 H32 N4 O10 Zn2 -","2","1","","Liu, Tianfu; Lü, Jian; Shi, Linxi; Guo, Zhengang; Cao, Rong","Conformation control of a flexible 1,4-phenylenediacetate ligand in coordination complexes: a rigidity-modulated strategy","CrystEngComm","2009","11","4","583","","10.1039/b813444h","","","0.71073","MoKα","","0.0968","0.0703","","","0.1814","0.2047","","","","","","0.979","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200360","9.814","0.003","10.545","0.003","10.595","0.003","112.508","0.006","106.884","0.011","96.478","0.004","937.6","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Co N2 O5 -","- C20 H16 Co N2 O5 -","- C40 H32 Co2 N4 O10 -","2","1","","Liu, Tianfu; Lü, Jian; Shi, Linxi; Guo, Zhengang; Cao, Rong","Conformation control of a flexible 1,4-phenylenediacetate ligand in coordination complexes: a rigidity-modulated strategy","CrystEngComm","2009","11","4","583","","10.1039/b813444h","","","0.71073","MoKα","","0.0765","0.0557","","","0.1548","0.1918","","","","","","1.075","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200361","9.814","0.003","10.545","0.003","10.595","0.003","112.508","0.006","106.884","0.011","96.478","0.004","937.6","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cd N2 O5 -","- C20 H16 Cd N2 O5 -","- C40 H32 Cd2 N4 O10 -","2","1","","Liu, Tianfu; Lü, Jian; Shi, Linxi; Guo, Zhengang; Cao, Rong","Conformation control of a flexible 1,4-phenylenediacetate ligand in coordination complexes: a rigidity-modulated strategy","CrystEngComm","2009","11","4","583","","10.1039/b813444h","","","0.71073","MoKα","","0.1003","0.0603","","","0.1474","0.1933","","","","","","1.072","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200362","16.675","0.003","28.71","0.006","23.663","0.005","90","","100.23","0.03","90","","11148","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C104 H120 Mn6 N21 O24 -","- C104 H114 Mn6 N21 O24 -","- C416 H456 Mn24 N84 O96 -","4","0.5","","Moon, Dohyun; Song, Jiheh; Lah, Myoung Soo","2D Layered metal‒organic frameworks built using a hexanuclear metallamacrocycle and an octanuclear metallamacrocycle as supramolecular building blocks","CrystEngComm","2009","11","5","770","","10.1039/b813603c","","","0.8","synchrotron","","0.0675","0.0646","","","0.1823","0.1849","","","","","","1.048","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200363","26.988","0.003","26.988","0.003","29.158","0.005","90","","90","","90","","21237","5","173","2","173","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C120 H132 Mn8 N24 O28 -","- C120 H56 Mn8 N24 O28 -","- C480 H224 Mn32 N96 O112 -","4","0.25","","Moon, Dohyun; Song, Jiheh; Lah, Myoung Soo","2D Layered metal‒organic frameworks built using a hexanuclear metallamacrocycle and an octanuclear metallamacrocycle as supramolecular building blocks","CrystEngComm","2009","11","5","770","","10.1039/b813603c","","","0.71073","MoKα","","0.1522","0.0837","","","0.2243","0.2523","","","","","","0.883","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200364","26.804","0.004","26.804","0.004","29.874","0.006","90","","90","","90","","21463","6","100","2","100","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C120 H132 Mn8 N24 O28 -","- C120 H32 Mn8 N24 O28 -","- C480 H128 Mn32 N96 O112 -","4","0.25","","Moon, Dohyun; Song, Jiheh; Lah, Myoung Soo","2D Layered metal‒organic frameworks built using a hexanuclear metallamacrocycle and an octanuclear metallamacrocycle as supramolecular building blocks","CrystEngComm","2009","11","5","770","","10.1039/b813603c","","","0.9","synchrotron","","0.1304","0.1264","","","0.421","0.4309","","","","","","2.086","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200365","22.334","0.003","15.584","0.002","17.996","0.002","90","","99.605","0.002","90","","6175.8","1.3","173","2","173","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C66.2 H84 O5 -","- C66.2 H84 O5 -","- C264.8 H336 O20 -","4","0.5","","Tian, Jian; Dalgarno, Scott J.; Thallapally, Praveen K.; Atwood, Jerry L.","Increased control over the desolvation of p-tert-butylcalix[5]arene","CrystEngComm","2009","11","1","33","","10.1039/b813628a","","","0.71073","MoKα","","0.1136","0.0694","","","0.1736","0.196","","","","","","1.03","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200366","14.4535","0.0015","7.3436","0.0008","17.428","0.002","90","","100.205","0.002","90","","1820.6","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 Cl2 Cu2 N6 S6 -","- C30 H30 Cl2 Cu2 N6 S6 -","- C60 H60 Cl4 Cu4 N12 S12 -","2","0.5","","Bianketti, Sławomir; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","Second-sphere hydrogen-bonding in heteroditopic mercaptopyridinium copper(I) frameworks","CrystEngComm","2009","11","5","763","","10.1039/b813672f","","","0.71073","MoKα","","0.0502","0.0288","","","0.0536","0.0578","","","","","","0.912","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200367","7.5448","0.0013","9.807","0.002","14.037","0.002","86.553","0.003","86.287","0.003","78.243","0.003","1013.5","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C32 H38 Cu2 F6 N6 O2 S6 Si -","- C32 H38 Cu2 F6 N6 O2 S6 Si -","- C32 H38 Cu2 F6 N6 O2 S6 Si -","1","0.5","","Bianketti, Sławomir; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","Second-sphere hydrogen-bonding in heteroditopic mercaptopyridinium copper(I) frameworks","CrystEngComm","2009","11","5","763","","10.1039/b813672f","","","0.71073","MoKα","","0.0528","0.0342","","","0.0755","0.0808","","","","","","0.947","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200368","10.2694","0.0007","10.5731","0.0008","16.786","0.0012","72.924","0.001","80.353","0.001","81.628","0.001","1708.6","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C51 H56 Cu4 N14 O14 S10 -","- C50 H50 Cu4 N14 O12 S10 -","- C50 H50 Cu4 N14 O12 S10 -","1","0.5","","Bianketti, Sławomir; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","Second-sphere hydrogen-bonding in heteroditopic mercaptopyridinium copper(I) frameworks","CrystEngComm","2009","11","5","763","","10.1039/b813672f","","","0.71073","MoKα","","0.0307","0.0283","","","0.0797","0.0815","","","","","","1.067","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200369","23.242","0.005","15.31","0.003","28.12","0.006","90","","97.551","0.005","90","","9919","4","150","2","150","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C72.5 H95 B2 Cu6 F20 N13 O7.5 S13 Si2 -","- C70 H77 B2 Cu6 F20 N13 O5 S13 Si2 -","- C280 H308 B8 Cu24 F80 N52 O20 S52 Si8 -","4","1","","Bianketti, Sławomir; Blake, Alexander J.; Wilson, Claire; Hubberstey, Peter; Champness, Neil R.; Schröder, Martin","Second-sphere hydrogen-bonding in heteroditopic mercaptopyridinium copper(I) frameworks","CrystEngComm","2009","11","5","763","","10.1039/b813672f","","","0.71073","MoKα","","0.174","0.0677","","","0.151","0.173","","","","","","0.78","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200370","11.695","0.0007","14.2219","0.0008","22.1864","0.0014","90","","102.442","0.001","90","","3603.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 Hg3 N12 S6 -","- C27 H21 Hg3 N12 S6 -","- C108 H84 Hg12 N48 S24 -","4","1","","Mahmoudi, Ghodrat; Morsali, Ali","Novel rare case of 2D + 1D = 2D polycatenation Hg(ii) coordination polymer","CrystEngComm","2009","11","1","50","","10.1039/b813701n","","","0.71073","MoKα","","0.0578","0.043","","","0.0977","0.1064","","","","","","1.009","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200371","8.0705","0.0003","22.0328","0.0006","32.3698","0.0011","90","","90.269","0.003","90","","5755.8","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C93 H105 Ag3 Cl3 N12 O20 S14 -","- C93 H81 Ag3 Cl3 N12 O20 S14 -","- C186 H162 Ag6 Cl6 N24 O40 S28 -","2","0.5","","Yang, Qing-Yuan; Zheng, Sheng-Run; Yang, Rui; Pan, Mei; Cao, Rong; Su, Cheng-Yong","An unusual 3D coordination polymer assembled through parallel interpenetrating and polycatenating of (6,3) nets","CrystEngComm","2009","11","4","680","","10.1039/b813767f","","","0.71073","MoKα","","0.1779","0.1188","","","0.2231","0.2443","","","","","","1.11","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200372","5.5826","0.001","9.587","0.003","10.054","0.004","90","","96.19","0.02","90","","535","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2-Chlorophenol","2-Chlorophenol","","- C6 H5 Cl O -","- C6 H5 Cl O -","- C24 H20 Cl4 O4 -","4","1","","Oswald, Iain D. H.; Crichton, Wilson A.","Structural similarities of 2-chlorophenol and 2-methylphenol","CrystEngComm","2009","11","3","463","","10.1039/b813878h","","","0.71073","MoKα","","0.1576","0.067","","","0.1195","0.14","","","","","","1.017","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200373","16.1628","0.0002","16.1628","0.0002","5.9006","0.0001","90","","90","","120","","1334.93","0.03","100","2","100","2","","","","","","","","4","P 32","P 32","145","(0.45)2-METHYLPHENOL:(0.55)2-CHLOROPHENOL","(0.45)2-METHYLPHENOL:(0.55)2-CHLOROPHENOL","","- C6.45 H6.34 Cl0.55 O -","- C6.44667 H6.34 Cl0.553333 O -","- C58.02 H57.06 Cl4.98 O9 -","9","3","","Oswald, Iain D. H.; Crichton, Wilson A.","Structural similarities of 2-chlorophenol and 2-methylphenol","CrystEngComm","2009","11","3","463","","10.1039/b813878h","","","0.71073","MoKα","","0.048","0.0405","","","0.099","0.1024","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7200374","16.4153","0.0002","16.4153","0.0002","5.7931","0.0002","90","","90","","120","","1351.88","0.05","100","2","100","2","","","","","","","","3","P 32","P 32","145","2-methylphenol","2-methylphenol","","- C7 H8 O -","- C7 H8 O -","- C63 H72 O9 -","9","3","","Oswald, Iain D. H.; Crichton, Wilson A.","Structural similarities of 2-chlorophenol and 2-methylphenol","CrystEngComm","2009","11","3","463","","10.1039/b813878h","","","0.71073","MoKα","","0.0445","0.0431","","","0.1038","0.1048","","","","","","1.069","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200375","5.9637","0.0004","4.7006","0.0003","19.769","0.003","90","","92.792","0.01","90","","553.53","0.1","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2-methylphenol","2-methylphenol","","- C7 H8 O -","- C7 H8 O -","- C28 H32 O4 -","4","1","","Oswald, Iain D. H.; Crichton, Wilson A.","Structural similarities of 2-chlorophenol and 2-methylphenol","CrystEngComm","2009","11","3","463","","10.1039/b813878h","","","0.71073","MoKα","","0.1286","0.087","","","0.1957","0.2256","","","","","","1.122","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200378","36.322","0.003","36.322","0.003","36.322","0.003","90","","90","","90","","47919","7","173","2","173","2","","","","","","","","7","I a -3 d","-I 4bd 2c 3","230","","","","- C72 H102 Ag6 F36 N6 P6 S12 -","- C72 H102 Ag6 F36 N6 P6 S12 -","- C1152 H1632 Ag96 F576 N96 P96 S192 -","16","0.166667","","Park, Sunhong; Lee, So Young; Jo, Minhye; Lee, Jai Young; Lee, Shim Sung","Molecular botanical garden: assembly of supramolecular silver(I) and mercury(II) complexes of NS2-donor macrocycles with flower-, leaf- and tree-shaped structures","CrystEngComm","2009","11","1","43","","10.1039/b814051k","","","0.71073","MoKα","","0.0561","0.0433","","","0.1194","0.1266","","","","","","1.112","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200379","11.4605","0.0005","11.6121","0.0006","13.1785","0.0006","90.294","0.001","99.549","0.001","94.075","0.001","1724.87","0.14","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C55 H76 Ag3 F18 N4 P3 S8 -","- C55 H76 Ag3 F18 N4 P3 S8 -","- C55 H76 Ag3 F18 N4 P3 S8 -","1","1","","Park, Sunhong; Lee, So Young; Jo, Minhye; Lee, Jai Young; Lee, Shim Sung","Molecular botanical garden: assembly of supramolecular silver(I) and mercury(II) complexes of NS2-donor macrocycles with flower-, leaf- and tree-shaped structures","CrystEngComm","2009","11","1","43","","10.1039/b814051k","","","0.71073","MoKα","","0.0579","0.0535","","","0.134","0.1397","","","","","","1.049","","","","has coordinates,has disorder","180334","2020-10-21","18:00:00",""
"7200380","18.2813","0.0008","8.1124","0.0004","26.4524","0.0012","90","","90","","90","","3923","0.3","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H17 Br4 Hg2 N S2 -","- C12 H17 Br4 Hg2 N S2 -","- C96 H136 Br32 Hg16 N8 S16 -","8","1","","Park, Sunhong; Lee, So Young; Jo, Minhye; Lee, Jai Young; Lee, Shim Sung","Molecular botanical garden: assembly of supramolecular silver(I) and mercury(II) complexes of NS2-donor macrocycles with flower-, leaf- and tree-shaped structures","CrystEngComm","2009","11","1","43","","10.1039/b814051k","","","0.71073","MoKα","","0.0802","0.0463","","","0.1018","0.1191","","","","","","1.016","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200381","18.9518","0.0019","8.5212","0.0009","27.755","0.003","90","","90","","90","","4482.2","0.8","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C12 H17 Hg2 I4 N S2 -","- C12 H17 Hg2 I4 N S2 -","- C96 H136 Hg16 I32 N8 S16 -","8","1","","Park, Sunhong; Lee, So Young; Jo, Minhye; Lee, Jai Young; Lee, Shim Sung","Molecular botanical garden: assembly of supramolecular silver(I) and mercury(II) complexes of NS2-donor macrocycles with flower-, leaf- and tree-shaped structures","CrystEngComm","2009","11","1","43","","10.1039/b814051k","","","0.71073","MoKα","","0.0693","0.0427","","","0.1084","0.1331","","","","","","1.118","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200382","13.5645","0.0011","11.9094","0.001","12.4053","0.001","90","","104.114","0.002","90","","1943.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 Br4 Hg2 N S2 -","- C12 H17 Br4 Hg2 N S2 -","- C48 H68 Br16 Hg8 N4 S8 -","4","1","","Park, Sunhong; Lee, So Young; Jo, Minhye; Lee, Jai Young; Lee, Shim Sung","Molecular botanical garden: assembly of supramolecular silver(I) and mercury(II) complexes of NS2-donor macrocycles with flower-, leaf- and tree-shaped structures","CrystEngComm","2009","11","1","43","","10.1039/b814051k","","","0.71073","MoKα","","0.1129","0.0778","","","0.1806","0.212","","","","","","1.002","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200383","8.3016","0.0008","8.8946","0.0009","11.7703","0.0013","83.191","0.003","81.216","0.003","67.746","0.003","793.19","0.14","123","1","123","1","","","","","","","","6","P -1","-P 1","2","[Cu(2,2'-bipy)(cdm)Cl]2.2MeOH","[Cu(2,2'-bipy)(cdm)Cl]2.2MeOH","","- C30 H28 Cl2 Cu2 N10 O4 -","- C30 H28 Cl2 Cu2 N10 O4 -","- C30 H28 Cl2 Cu2 N10 O4 -","1","0.5","","Turner, David R.; Pek, Sze Nee; Batten, Stuart R.","Destabilisation of a dual-synthon hydrogen bonding motif by packing effects and competing hydrogen bond donors","CrystEngComm","2009","11","1","87","","10.1039/b814158d","","","0.71073","MoKα","","0.0593","0.0438","","","0.0895","0.1007","","","","","","1.076","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200384","7.4044","0.0007","9.934","0.0009","12.0617","0.0013","108.736","0.005","91.509","0.005","99.329","0.005","826.15","0.14","123","1","123","1","","","","","","","","6","P -1","-P 1","2","[Cu(cdm)Cl(1,10-phen)]2.2MeOH","[(carbamoyldicyanomethanide)(chloro)(1,10-phenanthroline)copper(II)] methanol solvate","","- C34 H28 Cl2 Cu2 N10 O4 -","- C34 H28 Cl2 Cu2 N10 O4 -","- C34 H28 Cl2 Cu2 N10 O4 -","1","0.5","","Turner, David R.; Pek, Sze Nee; Batten, Stuart R.","Destabilisation of a dual-synthon hydrogen bonding motif by packing effects and competing hydrogen bond donors","CrystEngComm","2009","11","1","87","","10.1039/b814158d","","","0.71073","MoKα","","0.04","0.0314","","","0.0717","0.0759","","","","","","1.05","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200385","8.1154","0.001","8.9932","0.0009","11.154","0.0011","113.154","0.006","101.507","0.006","101.847","0.006","696.12","0.14","123","1","123","1","","","","","","","","5","P -1","-P 1","2","[Cu(cdm)(acac)(H2O)]2.4H2O","[Cu(cdm)(acac)(H2O)]2.4H2O","","- C18 H30 Cu2 N6 O12 -","- C18 H22 Cu2 N6 O12 -","- C18 H22 Cu2 N6 O12 -","1","0.5","","Turner, David R.; Pek, Sze Nee; Batten, Stuart R.","Destabilisation of a dual-synthon hydrogen bonding motif by packing effects and competing hydrogen bond donors","CrystEngComm","2009","11","1","87","","10.1039/b814158d","","","0.71073","MoKα","","0.052","0.043","","","0.1039","0.1105","","","","","","1.07","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200386","17.8128","0.0012","28.874","0.003","7.1606","0.0006","90","","90","","90","","3682.9","0.6","123","1","123","1","","","","","","","","5","F d d 2","F 2 -2d","43","[Cu(cdm)2(NH2(CH2)3NH2)2]","[Cu(cdm)2(NH2(CH2)3NH2)2]","","- C14 H24 Cu N10 O2 -","- C14 H24 Cu N10 O2 -","- C112 H192 Cu8 N80 O16 -","8","0.5","","Turner, David R.; Pek, Sze Nee; Batten, Stuart R.","Destabilisation of a dual-synthon hydrogen bonding motif by packing effects and competing hydrogen bond donors","CrystEngComm","2009","11","1","87","","10.1039/b814158d","","","0.71073","MoKα","","0.036","0.0305","","","0.0628","0.065","","","","","","0.974","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200387","10.5476","0.0007","11.586","0.0007","12.2153","0.0007","88.998","0.003","67.186","0.002","84.951","0.003","1370.42","0.15","123","1","123","1","","","","","","","","6","P -1","-P 1","2","MnPhenCl","MnPhenCl","","- C29 H23 Cl Mn N7 O2.5 -","- C29 H22 Cl Mn N7 O2.5 -","- C58 H44 Cl2 Mn2 N14 O5 -","2","1","","Turner, David R.; Pek, Sze Nee; Batten, Stuart R.","Destabilisation of a dual-synthon hydrogen bonding motif by packing effects and competing hydrogen bond donors","CrystEngComm","2009","11","1","87","","10.1039/b814158d","","","0.71073","MoKα","","0.0541","0.0422","","","0.0995","0.1089","","","","","","1.06","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200388","15.197","0.003","13.262","0.003","15.716","0.003","90","","107.2","0.03","90","","3025.8","1.2","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,3 lutidine pamoate","","","- C37 H34 N2 O6 -","- C37 H34 N2 O6 -","- C148 H136 N8 O24 -","4","1","","Haynes, Delia A.; Weng, Ze F.; Jones, William; Motherwell, W. D. Samuel","The crystal structures of three novel lutidinium pamoate salts","CrystEngComm","2009","11","2","254","260","10.1039/b814214a","","","0.71073","MoKα","","0.0817","0.0518","","","0.1073","0.1237","","","","","","1.027","","","","has coordinates","218453","2020-10-21","18:00:00",""
"7200389","8.2989","0.0017","11.453","0.002","16.924","0.003","72.76","0.03","85.65","0.03","77.85","0.03","1501.7","0.6","180","2","180","2","","","","","","","","4","P -1","-P 1","2","2,4 lutidine pamoate","","","- C37 H34 N2 O6 -","- C37 H34 N2 O6 -","- C74 H68 N4 O12 -","2","1","","Haynes, Delia A.; Weng, Ze F.; Jones, William; Motherwell, W. D. Samuel","The crystal structures of three novel lutidinium pamoate salts","CrystEngComm","2009","11","2","254","260","10.1039/b814214a","","","0.71073","MoKα","","0.1352","0.0801","","","0.2129","0.2502","","","","","","1.035","","","","has coordinates","218453","2020-10-21","18:00:00",""
"7200390","11.196","0.002","12.653","0.003","22.963","0.005","104.32","0.03","103.24","0.03","91.58","0.03","3055.9","1.3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","3,4 lutidine pamoate","","","- C37 H34 N2 O6 -","- C37 H34 N2 O6 -","- C148 H136 N8 O24 -","4","2","","Haynes, Delia A.; Weng, Ze F.; Jones, William; Motherwell, W. D. Samuel","The crystal structures of three novel lutidinium pamoate salts","CrystEngComm","2009","11","2","254","260","10.1039/b814214a","","","0.71073","MoKα","","0.085","0.057","","","0.1355","0.1537","","","","","","1.162","","","","has coordinates","218453","2020-10-21","18:00:00",""
"7200391","9.1158","0.0003","9.9478","0.0004","13.7725","0.0005","90","","90","","90","","1248.92","0.08","150","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","1,2-bis-(2-aminobenzoyl)hydrazine","1,2-bis-(2-aminobenzoyl)hydrazine","","- C14 H14 N4 O2 -","- C14 H14 N4 O2 -","- C56 H56 N16 O8 -","4","1","","Arthur, Richard J.; Coogan, Michael P.; Casadesus, Meritxell; Haigh, Robert; Headspith, D. A.; Francesconi, M. Grazia; Laye, Rebecca H.","Stereostructural behaviour of N‒N atropisomers: Two conglomerate crystallisations and a crystallisation-induced deracemisation","CrystEngComm","2009","11","4","610","619","10.1039/b814424a","","","0.71073","MoKα","","0.1064","0.0564","","","0.1266","0.155","","","","","","0.936","","","","has coordinates","218457","2020-10-21","18:00:00",""
"7200392","8.054","0.002","10.367","0.003","9.995","0.003","90","","108.174","0.011","90","","792.9","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","2,2'-Dimethyl-3,3'-biquinazoline-4-thio-4'-one","2,2'-Dimethyl-3,3'-biquinazoline-4-thio-4'-one","","- C18 H14 N4 O S -","- C18 H14 N4 O S -","- C36 H28 N8 O2 S2 -","2","1","","Arthur, Richard J.; Coogan, Michael P.; Casadesus, Meritxell; Haigh, Robert; Headspith, D. A.; Francesconi, M. Grazia; Laye, Rebecca H.","Stereostructural behaviour of N‒N atropisomers: Two conglomerate crystallisations and a crystallisation-induced deracemisation","CrystEngComm","2009","11","4","610","619","10.1039/b814424a","","","0.71073","MoKα","","0.058","0.0505","","","0.1373","0.1437","","","","","","1.035","","","","has coordinates","218457","2020-10-21","18:00:00",""
"7200393","15.979","0.003","14.653","0.003","18.466","0.004","90","","90","","90","","4323.6","1.5","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","2,2'-Diphenyl-3,3-biquinazoline-4,4-dione","2,2'-Diphenyl-3,3-biquinazoline-4,4-dione","","- C28 H18 N4 O2 -","- C28 H18 N4 O2 -","- C224 H144 N32 O16 -","8","1","","Arthur, Richard J.; Coogan, Michael P.; Casadesus, Meritxell; Haigh, Robert; Headspith, D. A.; Francesconi, M. Grazia; Laye, Rebecca H.","Stereostructural behaviour of N‒N atropisomers: Two conglomerate crystallisations and a crystallisation-induced deracemisation","CrystEngComm","2009","11","4","610","619","10.1039/b814424a","","","0.71073","MoKα","","0.1221","0.0423","","","0.1201","0.1478","","","","","","0.852","","","","has coordinates","218457","2020-10-21","18:00:00",""
"7200394","10.362","0.002","10.943","0.002","25.892","0.005","90","","90","","90","","2935.9","1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(S,S)-1,2-bis-(2-benzoyloxypropanoyl)-1,2-dibenzoylhydrazine","(S,S)-1,2-bis- (2-benzoyloxypropanoyl)-1,2-dibenzoylhydrazine","","- C34 H28 N2 O8 -","- C34 H28 N2 O8 -","- C136 H112 N8 O32 -","4","1","","Arthur, Richard J.; Coogan, Michael P.; Casadesus, Meritxell; Haigh, Robert; Headspith, D. A.; Francesconi, M. Grazia; Laye, Rebecca H.","Stereostructural behaviour of N‒N atropisomers: Two conglomerate crystallisations and a crystallisation-induced deracemisation","CrystEngComm","2009","11","4","610","619","10.1039/b814424a","","","0.71073","MoKα","","0.0793","0.0387","","","0.1099","0.1422","","","","","","1.111","","","","has coordinates","218457","2020-10-21","18:00:00",""
"7200395","15.5178","0.0011","19.7909","0.0012","22.0219","0.0016","90","","90","","90","","6763.2","0.8","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H39 Cl3 N4 O8 S2 -","- C25 H39 Cl3 N4 O8 S2 -","- C200 H312 Cl24 N32 O64 S16 -","8","2","","Guha, Samit; Drew, Michael G. B.; Banerjee, Arindam","Solvent-induced dynamic single-crystal-to-single-crystal transformation of a synthetic peptide-based cyclic compound","CrystEngComm","2009","11","5","756","","10.1039/b814454k","","","0.71073","MoKα","","0.2929","0.0789","","","0.1459","0.1814","","","","","","0.711","","","","has coordinates","180334","2020-10-21","18:00:00",""
"7200396","24.866","0.005","5.1362","0.0008","24.893","0.005","90","","111.12","0.02","90","","2965.7","1","100","2","100","2","","","","","","","","5","I 1 2 1","I 2y","5","","","","- C24 H38 N4 O8 S2 -","- C24 H38 N4 O8 S2 -","- C96 H152 N16 O32 S8 -","4","1","","Guha, Samit; Drew, Michael G. B.; Banerjee, Arindam","Solvent-induced dynamic single-crystal-to-single-crystal transformation of a synthetic peptide-based cyclic compound","CrystEngComm","2009","11","5","756","","10.1039/b814454k","","","0.71073","MoKα","","0.1186","0.0701","","","0.1128","0.1187","","","","","","0.951","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200402","28.6832","0.0008","5.0572","0.0001","7.9245","0.0003","90","","90","","90","","1149.5","0.06","100","1","100","1","","","","","","","","4","P 21 21 2","P 2 2ab","18","(S,S)-(-)-decamethylene bis(3,3,3-trifluorolactate) hexane ether mixed solvate","","","- C18.12 H29 F6 O6.08 -","- C16 H24 F6 O6 -","- C32 H48 F12 O12 -","2","0.5","","Katagiri, Toshimasa; Takahashi, Satoshi; Tanaka, Yasuhiro; Kawabata, Kouji; Hattori, Yoshiyuki; Kaneko, Katsumi; Uneyama, Kenji","Gas storage in soft 1D nano-tunnels by the induced fit of a serration structure","CrystEngComm","2009","11","2","347","","10.1039/b814508c","","","0.71069","MoKα","","0.0379","0.0361","","","0.0941","0.0949","","","","","","1.121","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200406","13.101","0.007","10.531","0.006","19.954","0.01","90","","103.86","0.007","90","","2673","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Br Cl3 N2 O -","- C27 H22 Br Cl3 N2 O -","- C108 H88 Br4 Cl12 N8 O4 -","4","1","","Zhu, Yuan-Yuan; Jiang, Long; Li, Zhan-Ting","Intramolecular six-membered N‒H⋯Br and N‒H⋯I hydrogen bonding in aromatic amides in the absence of competing interactions","CrystEngComm","2009","11","2","235","","10.1039/b814859g","","","0.71073","MoKα","","0.1285","0.0626","","","0.165","0.2014","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200407","13.107","0.005","10.608","0.004","19.586","0.008","90","","102.603","0.005","90","","2657.6","1.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 Cl3 I N2 O -","- C27 H22 Cl3 I N2 O -","- C108 H88 Cl12 I4 N8 O4 -","4","1","","Zhu, Yuan-Yuan; Jiang, Long; Li, Zhan-Ting","Intramolecular six-membered N‒H⋯Br and N‒H⋯I hydrogen bonding in aromatic amides in the absence of competing interactions","CrystEngComm","2009","11","2","235","","10.1039/b814859g","","","0.71073","MoKα","","0.0618","0.046","","","0.1019","0.111","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200408","10.0756","0.0013","13.5573","0.0017","16.036","0.002","99.681","0.003","95.973","0.002","99.563","0.002","2109.6","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H43 Br N2 O4 -","- C50 H43 Br N2 O4 -","- C100 H86 Br2 N4 O8 -","2","1","","Zhu, Yuan-Yuan; Jiang, Long; Li, Zhan-Ting","Intramolecular six-membered N‒H⋯Br and N‒H⋯I hydrogen bonding in aromatic amides in the absence of competing interactions","CrystEngComm","2009","11","2","235","","10.1039/b814859g","","","0.71073","MoKα","","0.1139","0.0622","","","0.1375","0.161","","","","","","0.868","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200409","11.3955","0.0011","11.1852","0.0011","27.326","0.003","90","","93.064","0.002","90","","3478","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 Br Cl3 N2 O2 -","- C38 H36 Br Cl3 N2 O2 -","- C152 H144 Br4 Cl12 N8 O8 -","4","1","","Zhu, Yuan-Yuan; Jiang, Long; Li, Zhan-Ting","Intramolecular six-membered N‒H⋯Br and N‒H⋯I hydrogen bonding in aromatic amides in the absence of competing interactions","CrystEngComm","2009","11","2","235","","10.1039/b814859g","","","0.71073","MoKα","","0.1219","0.07","","","0.1899","0.2144","","","","","","0.923","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200410","11.8909","0.0011","10.2401","0.0009","28.515","0.003","90","","92.568","0.002","90","","3468.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H43 Br N2 O4 -","- C41 H43 Br N2 O4 -","- C164 H172 Br4 N8 O16 -","4","1","","Zhu, Yuan-Yuan; Jiang, Long; Li, Zhan-Ting","Intramolecular six-membered N‒H⋯Br and N‒H⋯I hydrogen bonding in aromatic amides in the absence of competing interactions","CrystEngComm","2009","11","2","235","","10.1039/b814859g","","","0.71073","MoKα","","0.0951","0.056","","","0.1295","0.1418","","","","","","0.896","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200411","8.292","0.002","9.416","0.003","15.73","0.004","77.792","0.003","85.614","0.003","65.372","0.003","1091.1","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 Br N2 O3 -","- C26 H19 Br N2 O3 -","- C52 H38 Br2 N4 O6 -","2","1","","Zhu, Yuan-Yuan; Jiang, Long; Li, Zhan-Ting","Intramolecular six-membered N‒H⋯Br and N‒H⋯I hydrogen bonding in aromatic amides in the absence of competing interactions","CrystEngComm","2009","11","2","235","","10.1039/b814859g","","","0.71073","MoKα","","0.0448","0.0349","","","0.0806","0.0856","","","","","","1.046","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200412","8.4506","0.0009","9.3577","0.001","15.3062","0.0016","92.232","0.001","95.942","0.001","111.294","0.001","1117.9","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 I N2 O3 -","- C26 H19 I N2 O3 -","- C52 H38 I2 N4 O6 -","2","1","","Zhu, Yuan-Yuan; Jiang, Long; Li, Zhan-Ting","Intramolecular six-membered N‒H⋯Br and N‒H⋯I hydrogen bonding in aromatic amides in the absence of competing interactions","CrystEngComm","2009","11","2","235","","10.1039/b814859g","","","0.71073","MoKα","","0.0346","0.03","","","0.0655","0.0687","","","","","","1.087","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200413","38.3092","0.0006","38.3092","0.0006","47.3977","0.0013","90","","90","","120","","60241","2","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C40 H28 Mg2 O13 -","- C40 H28 Mg2 O13 -","- C1440 H1008 Mg72 O468 -","36","2","","Volkringer, Christophe; Loiseau, Thierry; Marrot, Jérôme; Férey, Gérard","A MOF-type magnesium benzene-1,3,5-tribenzoate with two-fold interpenetrated ReO3 nets","CrystEngComm","2009","11","1","58","","10.1039/b814943g","","","0.71073","MoKα","","0.1697","0.0647","","","0.1555","0.1849","","","","","","0.929","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200414","13.716","0.002","13.8647","0.0019","16.472","0.002","78.644","0.004","88.534","0.005","78.516","0.004","3009.3","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H46 I10 N7 Nd O8 Pb4 -","- C24 H46 I10 N7 Nd O8 Pb4 -","- C48 H92 I20 N14 Nd2 O16 Pb8 -","2","1","","Liu, Jibo; Li, Haohong; Chen, Zhirong; Guo, Liangqia; Huang, Changcang; Li, Junqian","A 2-D framework incorporating lanthanide metal complex linkers into polymeric iodoplumbate","CrystEngComm","2009","11","4","545","548","10.1039/b814992e","","","0.71069","MoKα","","0.0705","0.0625","","","0.1295","0.1346","","","","","","1.188","","","","has coordinates","218460","2020-10-21","18:00:00",""
"7200415","17.342","0.006","17.226","0.018","17.589","0.017","90","","103.71","0.06","90","","5105","8","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","ssh0471","","","- C96 H112 Br4 Cu2 N24 O8 -","- C96 H112 Br4 Cu2 N24 O8 -","- C192 H224 Br8 Cu4 N48 O16 -","2","1","","Piepenbrock, Marc-Oliver M.; Anderson, Kirsty M.; Sansam, Benedict C. R.; Clarke, Nigel; Steed, Jonathan W.","Structural similarity of hydrogen-bonded and metal-coordinated abiotic base pairs allows oligonucleotide-like mutual stacking,","CrystEngComm","2009","11","1","118","","10.1039/b815252g","","","0.6941","synchrotron","","0.1358","0.1071","","","0.27","0.2887","","","","","","1.052","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200416","5.8645","0.0004","7.5587","0.0005","8.1625","0.0006","77.744","0.002","76.991","0.001","83.633","0.001","343.75","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H4 Cu N7 -","- C3 H4 Cu N7 -","- C6 H8 Cu2 N14 -","2","1","","Massoud, Alshima'a A.; Abu-Youssef, Morsy A. M.; Vejpravová, Jana Poltierová; Langer, Vratislav; Öhrström, Lars","Methyl groups control coordination number, stoichiometry, network and magnetism in a Cu(ii)-azide-pyrazine (6,3) 2D net","CrystEngComm","2009","11","2","223","225","10.1039/b815264k","","","0.71073","MoKα","","0.0618","0.0417","","","0.0733","0.0804","","","","","","1.046","","","","has coordinates","218386","2020-10-21","18:00:00",""
"7200417","10.0626","0.0019","5.9468","0.0007","13.438","0.002","90","","95.501","0.012","90","","800.4","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H4 Co N2 O4 -","- C9 H4 Co N2 O4 -","- C36 H16 Co4 N8 O16 -","4","1","","Wei, Yongqin; Yu, Yunfang; Sa, Rongjian; Li, Qiaohong; Wu, Kechen","Two cobalt(II) coordination polymers [Co2(H2O)4(Hbidc)2]n and [Co(Hbidc)]n (Hbidc = 1H-benzimidazole-5,6-dicarboxylate): syntheses, crystal structures, and magnetic properties","CrystEngComm","2009","11","6","1054","","10.1039/b815464c","","","0.71073","MoKα","","0.0411","0.0324","","","0.079","0.0832","","","","","","1.06","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200418","8.795","0.005","9.031","0.005","12.909","0.007","90","","97.18","0.01","90","","1017.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 Co N2 O6 -","- C9 H8 Co N2 O6 -","- C36 H32 Co4 N8 O24 -","4","1","","Wei, Yongqin; Yu, Yunfang; Sa, Rongjian; Li, Qiaohong; Wu, Kechen","Two cobalt(II) coordination polymers [Co2(H2O)4(Hbidc)2]n and [Co(Hbidc)]n (Hbidc = 1H-benzimidazole-5,6-dicarboxylate): syntheses, crystal structures, and magnetic properties","CrystEngComm","2009","11","6","1054","","10.1039/b815464c","","","0.71073","MoKα","","0.0421","0.0345","","","0.0946","0.1005","","","","","","1.025","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200419","10.6261","0.0006","10.3755","0.0004","10.9553","0.0005","90","","113.786","0.003","90","","1105.24","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 O7 U -","- C8 H12 O7 U -","- C32 H48 O28 U4 -","4","1","","Thuéry, Pierre","Two novel uranyl‒organic frameworks with cyclohexane-1,3-dicarboxylate ligands","CrystEngComm","2009","11","2","232","234","10.1039/b815481c","","","0.71073","MoKα","","0.053","0.0384","","","0.0934","0.1","","","","","","1.012","","","","has coordinates,has disorder","218389","2020-10-21","18:00:00",""
"7200420","9.9445","0.0003","22.9894","0.0009","15.6684","0.0007","90","","93.096","0.003","90","","3576.9","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H48 O21 U2 -","- C26 H48 O21 U2 -","- C104 H192 O84 U8 -","4","1","","Thuéry, Pierre","Two novel uranyl‒organic frameworks with cyclohexane-1,3-dicarboxylate ligands","CrystEngComm","2009","11","2","232","234","10.1039/b815481c","","","0.71073","MoKα","","0.0486","0.0379","","","0.0933","0.0971","","","","","","1.039","","","","has coordinates","218389","2020-10-21","18:00:00",""
"7200421","8.2621","0.001","8.3419","0.001","19.247","0.002","101.726","0.002","92.286","0.002","92.437","0.002","1296.1","0.3","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 Cd2 N2 O15 -","- C22 H23 Cd2 N2 O15 -","- C44 H46 Cd4 N4 O30 -","2","1","","Bo Zheng; Junfeng Bai","An unprecedented nanoscale trilayered polythreading coordination array hierarchically formed from 2D square grid networks and induced by protonated 1,2-bis(4-pyridyl)ethane","CrystEngComm","2009","11","2","271","273","10.1039/b815555k","","","0.71073","MoKα","","0.0428","0.0361","","","0.0867","0.0894","","","","","","0.986","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200422","8.0087","0.0016","8.1857","0.0016","8.3767","0.0017","85.3","0.002","71.493","0.002","83.153","0.002","516.47","0.18","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cd N2 O10 -","- C20 H18 Cd N2 O10 -","- C20 H18 Cd N2 O10 -","1","0.5","","Bo Zheng; Junfeng Bai","An unprecedented nanoscale trilayered polythreading coordination array hierarchically formed from 2D square grid networks and induced by protonated 1,2-bis(4-pyridyl)ethane","CrystEngComm","2009","11","2","271","273","10.1039/b815555k","","","0.71073","MoKα","","0.028","0.0269","","","0.066","0.0663","","","","","","1.055","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200423","22.1046","0.0016","22.1046","0.0016","9.7539","0.0015","90","","90","","90","","4765.9","0.9","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C40 H56 Co4 O20 -","- C40 H56 Co4 O20 -","- C160 H224 Co16 O80 -","4","0.25","","Shu-Hua Zhang; You Song; Hong Liang; Ming-Hua Zeng","Microwave-assisted synthesis, crystal structure and properties of a disc-like heptanuclear Co(II) cluster and a heterometallic cubanic Co(II) cluster","CrystEngComm","2009","11","5","865","872","10.1039/b815675a","","","0.71073","MoKα","","0.0524","0.0349","","","0.0877","0.0971","","","","","","1.077","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200424","14.1188","0.0011","14.1188","0.0011","9.6675","0.0015","90","","90","","120","","1668.9","0.3","293","2","293","2","","","","","","","","6","P -3","-P 3","147","","","","- C54 H66 Cl2 Co7 N6 O26 -","- C54 H66 Cl2 Co7 N6 O26 -","- C54 H66 Cl2 Co7 N6 O26 -","1","0.166667","","Shu-Hua Zhang; You Song; Hong Liang; Ming-Hua Zeng","Microwave-assisted synthesis, crystal structure and properties of a disc-like heptanuclear Co(II) cluster and a heterometallic cubanic Co(II) cluster","CrystEngComm","2009","11","5","865","872","10.1039/b815675a","","","0.71073","MoKα","","0.1126","0.0877","","","0.2338","0.2457","","","","","","1.172","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200425","17.1568","0.0012","17.1568","0.0012","27.247","0.003","90","","90","","120","","6945.8","1","293","2","293","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C74 H89 Co6 N13 Na2 O32 S6 -","- C74 H89 Co6 N13 Na2 O32 S6 -","- C222 H267 Co18 N39 Na6 O96 S18 -","3","0.166667","","Shu-Hua Zhang; You Song; Hong Liang; Ming-Hua Zeng","Microwave-assisted synthesis, crystal structure and properties of a disc-like heptanuclear Co(II) cluster and a heterometallic cubanic Co(II) cluster","CrystEngComm","2009","11","5","865","872","10.1039/b815675a","","","0.71073","MoKα","","0.0856","0.0515","","","0.1455","0.1732","","","","","","1.022","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200426","16.0491","0.0008","16.0491","0.0008","15.3683","0.0016","90","","90","","90","","3958.5","0.5","173","2","173","2","","","","","","","","7","I 4/m c m","-I 4 2c","140","","","","- C80 H136 F24 N16 O36 Si4 Zn4 -","- C80 H64 F24 N16 O36 Si4 Zn4 -","- C80 H64 F24 N16 O36 Si4 Zn4 -","1","0.03125","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: modulation of size and shape of cuboid 3-D coordination networks","CrystEngComm","2009","11","1","189","","10.1039/b815695f","","","0.71073","MoKα","","0.1091","0.0886","","","0.2779","0.306","","","","","","1.065","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200427","19.594","0.0003","19.594","0.0003","15.0666","0.0005","90","","90","","90","","5784.4","0.2","173","2","173","2","","","","","","","","7","I 4/m c m","-I 4 2c","140","","","","- C26.97 H18.97 Cl8.9 F6 N4 Si Zn -","- C26.968 H18.968 Cl8.904 F6 N4 Si Zn -","- C107.872 H75.872 Cl35.616 F24 N16 Si4 Zn4 -","4","0.125","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: modulation of size and shape of cuboid 3-D coordination networks","CrystEngComm","2009","11","1","189","","10.1039/b815695f","","","0.71073","MoKα","","0.1601","0.1088","","","0.2958","0.3287","","","","","","1.239","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200428","22.0593","0.0013","22.0593","0.0013","15.0937","0.0018","90","","90","","90","","7344.8","1.1","173","2","173","2","","","","","","","","6","I 4/m c m","-I 4 2c","140","","","","- C32 H24 F6 N4 Si Zn -","- C32 H24 F6 N4 Si Zn -","- C128 H96 F24 N16 Si4 Zn4 -","4","0.125","","Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais","Molecular tectonics: modulation of size and shape of cuboid 3-D coordination networks","CrystEngComm","2009","11","1","189","","10.1039/b815695f","","","0.71073","MoKα","","0.0931","0.0704","","","0.186","0.1927","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200429","11.6713","0.0016","11.9766","0.0016","12.9","0.0017","100.226","0.002","105.549","0.003","118.571","0.002","1422.6","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","tetra(pyrazole)copper(ii)(tri(pyrazole)copper(ii)) decavanadate","tetra(pyrazole)copper(ii)(tri(pyrazole)copper(ii)) decavanadate","","- C30 H40 Cu3 N20 O28 V10 -","- C30 H40 Cu3 N20 O28 V10 -","- C30 H40 Cu3 N20 O28 V10 -","1","0.5","","Thomas, Jency; Agarwal, Monika; Ramanan, Arunachalam; Chernova, Natasha; Whittingham, M. Stanley","Copper pyrazole directed crystallization of decavanadates: synthesis and characterization of {Cu(pz)}4[{Cu(pz)3}2V10O28] and (Hpz)2[{Cu(pz)4}2V10O28]·2H2O","CrystEngComm","2009","11","4","625","","10.1039/b815840a","","","0.71073","MoKα","","0.0578","0.0501","","","0.0995","0.1026","","","","","","1.199","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200430","11.582","0.002","11.659","0.001","12.451","0.002","114.66","0.003","107.439","0.002","91.639","0.003","1434.7","0.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H21 Cu N10 O15 V5 -","- C15 H21 Cu N10 O15 V5 -","- C30 H42 Cu2 N20 O30 V10 -","2","1","","Thomas, Jency; Agarwal, Monika; Ramanan, Arunachalam; Chernova, Natasha; Whittingham, M. Stanley","Copper pyrazole directed crystallization of decavanadates: synthesis and characterization of {Cu(pz)}4[{Cu(pz)3}2V10O28] and (Hpz)2[{Cu(pz)4}2V10O28]·2H2O","CrystEngComm","2009","11","4","625","","10.1039/b815840a","","","0.71073","MoKα","","0.0627","0.0552","","","0.1304","0.1396","","","","","","1.244","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200431","8.0602","0.0007","5.7898","0.0005","18.0494","0.0015","90","","114.606","0.002","90","","765.82","0.11","300","","300","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","beta-Nitrostyrene","β-Nitrostyrene","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C32 H28 N4 O8 -","4","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.093","0.055","","","0.1349","0.1624","","","","","","1.03","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200432","8.0411","0.0006","5.7561","0.0004","17.876","0.0014","90","","114.04","0.001","90","","755.63","0.1","250","","250","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","beta-Nitrostyrene","β-Nitrostyrene","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C32 H28 N4 O8 -","4","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.0685","0.0477","","","0.1246","0.1425","","","","","","1.041","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200433","8.0279","0.0006","5.7186","0.0004","17.6994","0.0013","90","","113.47","0.001","90","","745.33","0.09","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","beta-Nitrostyrene","β-Nitrostyrene","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C32 H28 N4 O8 -","4","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.0571","0.0459","","","0.1184","0.1286","","","","","","1.02","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200434","8.0185","0.0006","5.6848","0.0004","17.5444","0.0012","90","","112.991","0.001","90","","736.21","0.09","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","beta-Nitrostyrene","β-Nitrostyrene","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C32 H28 N4 O8 -","4","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.049","0.0425","","","0.1174","0.1243","","","","","","1.074","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200435","7.9963","0.0006","5.6699","0.0004","17.4179","0.0013","90","","112.752","0.001","90","","728.25","0.09","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","beta-Nitrostyrene","β-Nitrostyrene","","- C8 H7 N O2 -","- C8 H7 N O2 -","- C32 H28 N4 O8 -","4","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.0424","0.038","","","0.103","0.1066","","","","","","1.075","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200436","10.3129","0.0006","7.4611","0.0005","25.3216","0.0016","90","","90","","90","","1948.4","0.2","300","","300","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Dimethylamino-beta-nitrostyrene","4-Dimethylamino-β-nitrostyrene","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.079","0.0505","","","0.1294","0.1556","","","","","","1.046","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200437","10.2801","0.0008","7.411","0.0005","25.2458","0.0019","90","","90","","90","","1923.4","0.2","250","","250","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Dimethylamino-beta-nitrostyrene","4-Dimethylamino-β-nitrostyrene","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.0702","0.0535","","","0.1497","0.1697","","","","","","1.031","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200438","10.2466","0.0006","7.3631","0.0004","25.1655","0.0015","90","","90","","90","","1898.65","0.19","200","","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Dimethylamino-beta-nitrostyrene","4-Dimethylamino-β-nitrostyrene","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.0549","0.0458","","","0.1348","0.1467","","","","","","1.073","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200439","10.2078","0.0006","7.3313","0.0004","25.1387","0.0014","90","","90","","90","","1881.29","0.18","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Dimethylamino-beta-nitrostyrene","4-Dimethylamino-β-nitrostyrene","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.0503","0.0422","","","0.124","0.1339","","","","","","1.057","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200440","10.1607","0.0005","7.296","0.0004","25.1132","0.0013","90","","90","","90","","1861.7","0.17","90","","90","","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-Dimethylamino-beta-nitrostyrene","4-Dimethylamino-β-nitrostyrene","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C80 H96 N16 O16 -","8","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.0442","0.0391","","","0.114","0.1197","","","","","","1.059","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200441","5.8529","0.0006","8.6855","0.0008","9.0724","0.0009","103.447","0.002","90.696","0.002","95.572","0.002","446.15","0.08","300","","300","","","","","","","","","4","P -1","-P 1","2","4-Methoxy-beta-nitrostyrene","4-Methoxy-β-nitrostyrene","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C18 H18 N2 O6 -","2","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.0861","0.06","","","0.1898","0.2189","","","","","","1.063","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200442","5.7014","0.0003","8.4321","0.0005","9.1812","0.0005","103.481","0.001","90.271","0.001","97.265","0.001","425.51","0.04","90","","90","","","","","","","","","4","P -1","-P 1","2","4-Methoxy-beta-nitrostyrene","4-Methoxy-β-nitrostyrene","","- C9 H9 N O3 -","- C9 H9 N O3 -","- C18 H18 N2 O6 -","2","1","","Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro","Crystalline-state conformational change of β-nitrostyrenes and its freezing at low temperature","CrystEngComm","2009","11","4","638","","10.1039/b815869j","","","0.71073","MoKα","","0.0399","0.0366","","","0.1093","0.1142","","","","","","1.046","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200443","22.062","0.0004","11.0025","0.0004","13.1831","0.0008","90","","91.7568","0.001","90","","3198.5","0.2","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H31 Cu2 N3 O14 -","- C29 H31 Cu2 N3 O14 -","- C116 H124 Cu8 N12 O56 -","4","0.5","","Koner, Rajesh; Goldberg, Israel","Supramolecular reactivity of naphthalene-1,4,5,8-tetracarboxylic acid towards transition metal ions: coordination polymers and discrete complexes with CuII, NiII and CoII","CrystEngComm","2009","11","2","367","","10.1039/b815885a","","","0.71073","MoKα","","0.0751","0.0554","","","0.1507","0.164","","","","","","1.128","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200444","9.0654","0.0002","10.6309","0.0003","11.5309","0.0002","92.4596","0.0012","110.251","0.0016","100.35","0.0009","1018.94","0.04","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H26 Co N O14 -","- C12 H26 Co N O14 -","- C24 H52 Co2 N2 O28 -","2","1","","Koner, Rajesh; Goldberg, Israel","Supramolecular reactivity of naphthalene-1,4,5,8-tetracarboxylic acid towards transition metal ions: coordination polymers and discrete complexes with CuII, NiII and CoII","CrystEngComm","2009","11","2","367","","10.1039/b815885a","","","0.71073","MoKα","","0.0534","0.0399","","","0.0977","0.1071","","","","","","1.047","","","","has coordinates,has disorder","180335","2020-10-21","18:00:00",""
"7200445","7.1365","0.0002","8.1576","0.0002","11.0316","0.0003","71.34","0.0012","75.4362","0.0009","78.585","0.0011","584.06","0.03","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H28 Co Na2 O20 -","- C14 H28 Co Na2 O20 -","- C14 H28 Co Na2 O20 -","1","0.5","","Koner, Rajesh; Goldberg, Israel","Supramolecular reactivity of naphthalene-1,4,5,8-tetracarboxylic acid towards transition metal ions: coordination polymers and discrete complexes with CuII, NiII and CoII","CrystEngComm","2009","11","2","367","","10.1039/b815885a","","","0.71073","MoKα","","0.0543","0.0405","","","0.0942","0.1026","","","","","","1.068","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200446","10.1872","0.0002","11.3944","0.0003","13.2253","0.0004","110.711","0.0009","107.192","0.0012","100.411","0.0013","1300.02","0.06","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C19.5 H30.5 N2.5 Ni O12 -","- C19.5 H30.5 N2.5 Ni O12 -","- C39 H61 N5 Ni2 O24 -","2","1","","Koner, Rajesh; Goldberg, Israel","Supramolecular reactivity of naphthalene-1,4,5,8-tetracarboxylic acid towards transition metal ions: coordination polymers and discrete complexes with CuII, NiII and CoII","CrystEngComm","2009","11","2","367","","10.1039/b815885a","","","0.71073","MoKα","","0.0654","0.0562","","","0.1362","0.1403","","","","","","1.172","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200447","7.3367","0.0002","8.0935","0.0002","10.9671","0.0004","68.7292","0.001","75.1539","0.001","70.66","0.002","565.71","0.03","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H12 Cu O9 -","- C7 H12 Cu O9 -","- C14 H24 Cu2 O18 -","2","1","","Koner, Rajesh; Goldberg, Israel","Supramolecular reactivity of naphthalene-1,4,5,8-tetracarboxylic acid towards transition metal ions: coordination polymers and discrete complexes with CuII, NiII and CoII","CrystEngComm","2009","11","2","367","","10.1039/b815885a","","","0.71073","MoKα","","0.0667","0.0508","","","0.1289","0.1386","","","","","","1.068","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200448","7.7137","0.0002","9.4183","0.0003","11.424","0.0004","113.8","0.0017","92.2836","0.0016","107.734","0.002","710.56","0.04","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H36 Ni2 O25 -","- C14 H36 Ni2 O25 -","- C14 H36 Ni2 O25 -","1","0.5","","Koner, Rajesh; Goldberg, Israel","Supramolecular reactivity of naphthalene-1,4,5,8-tetracarboxylic acid towards transition metal ions: coordination polymers and discrete complexes with CuII, NiII and CoII","CrystEngComm","2009","11","2","367","","10.1039/b815885a","","","0.71073","MoKα","","0.0643","0.0467","","","0.1056","0.1144","","","","","","1.041","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200449","7.4968","0.0001","14.7124","0.0003","11.092","0.0002","90","","91.6835","0.0008","90","","1222.87","0.04","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H14 Ni O10 -","- C7 H14 Ni O10 -","- C28 H56 Ni4 O40 -","4","1","","Koner, Rajesh; Goldberg, Israel","Supramolecular reactivity of naphthalene-1,4,5,8-tetracarboxylic acid towards transition metal ions: coordination polymers and discrete complexes with CuII, NiII and CoII","CrystEngComm","2009","11","2","367","","10.1039/b815885a","","","0.71073","MoKα","","0.0516","0.043","","","0.1132","0.12","","","","","","1.076","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200450","7.3697","0.0002","8.6305","0.0002","9.7369","0.0003","83.6472","0.0009","76.7314","0.001","78.0218","0.0017","588.36","0.03","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C7 H14 Cu O10 -","- C7 H14 Cu O10 -","- C14 H28 Cu2 O20 -","2","1","","Koner, Rajesh; Goldberg, Israel","Supramolecular reactivity of naphthalene-1,4,5,8-tetracarboxylic acid towards transition metal ions: coordination polymers and discrete complexes with CuII, NiII and CoII","CrystEngComm","2009","11","2","367","","10.1039/b815885a","","","0.71073","MoKα","","0.0526","0.048","","","0.1322","0.1367","","","","","","1.084","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200451","16.312","0.008","7.247","0.003","16.383","0.008","90","","90.243","0.007","90","","1936.7","1.6","120","2","120","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O -","- C18 H16 O -","- C108 H96 O6 -","6","3","","Aliev, Abil E.; Moïse, Joëlle; Motherwell, William B.; Nič, Miloslav; Courtier-Murias, Denis; Tocher, Derek A.","Probing weak non-covalent interactions in solution and solid states with designed molecules","Physical Chemistry Chemical Physics","2009","11","1","97","100","10.1039/b815906h","","","0.6751","synchrotron","","0.0791","0.0678","","","0.1699","0.1837","","","","","","1.054","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200452","13.8169","0.0018","11.8799","0.0015","8.5789","0.0011","90","","100.271","0.002","90","","1385.6","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 -","- C18 H16 N2 -","- C72 H64 N8 -","4","1","","Aliev, Abil E.; Moïse, Joëlle; Motherwell, William B.; Nič, Miloslav; Courtier-Murias, Denis; Tocher, Derek A.","Probing weak non-covalent interactions in solution and solid states with designed molecules","Physical Chemistry Chemical Physics","2009","11","1","97","100","10.1039/b815906h","","","0.71073","MoKα","","0.0847","0.0594","","","0.1391","0.1536","","","","","","1.038","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200453","10.2688","0.001","11.1859","0.001","18.4444","0.0017","80.255","0.001","83.122","0.001","89.729","0.001","2072.8","0.3","291","2","291","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H38 N4 Ni2 O15 S2 -","- C36 H38 N4 Ni2 O15 S2 -","- C72 H76 N8 Ni4 O30 S4 -","2","1","","Ma, Lu-Fang; Wang, Li-Ya; Hu, Jiang-Liang; Wang, Yao-Yu; Batten, Stuart R.; Wang, Jian-Ge","Dicarboxylate anion-dependent assembly of Ni(II) coordination polymers with 4,4′-dipyridyl sulfide","CrystEngComm","2009","11","5","777","","10.1039/b815916e","","","0.71073","MoKα","","0.0466","0.0371","","","0.0969","0.1036","","","","","","1.028","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200454","14.3584","0.0014","8.2781","0.0008","15.8981","0.0015","90","","93.735","0.001","90","","1885.6","0.3","291","2","291","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C36 H26 N6 Ni2 O14 S2 -","- C36 H26 N6 Ni2 O14 S2 -","- C72 H52 N12 Ni4 O28 S4 -","2","0.5","","Ma, Lu-Fang; Wang, Li-Ya; Hu, Jiang-Liang; Wang, Yao-Yu; Batten, Stuart R.; Wang, Jian-Ge","Dicarboxylate anion-dependent assembly of Ni(II) coordination polymers with 4,4′-dipyridyl sulfide","CrystEngComm","2009","11","5","777","","10.1039/b815916e","","","0.71073","MoKα","","0.0303","0.0268","","","0.0879","0.0942","","","","","","0.735","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200455","10.117","0.004","19.692","0.008","15.346","0.006","90","","106.672","0.004","90","","2929","2","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N4 Ni O6 S2 -","- C28 H22 N4 Ni O6 S2 -","- C112 H88 N16 Ni4 O24 S8 -","4","1","","Ma, Lu-Fang; Wang, Li-Ya; Hu, Jiang-Liang; Wang, Yao-Yu; Batten, Stuart R.; Wang, Jian-Ge","Dicarboxylate anion-dependent assembly of Ni(II) coordination polymers with 4,4′-dipyridyl sulfide","CrystEngComm","2009","11","5","777","","10.1039/b815916e","","","0.71073","MoKα","","0.035","0.0296","","","0.0714","0.075","","","","","","1.03","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200456","15.3099","0.001","27.9468","0.0018","15.7112","0.001","90","","114.862","0.001","90","","6099.2","0.7","291","2","291","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C44 H42 N4 Ni2 O9 S2 -","- C44 H42 N4 Ni2 O9 S2 -","- C176 H168 N16 Ni8 O36 S8 -","4","1","","Ma, Lu-Fang; Wang, Li-Ya; Hu, Jiang-Liang; Wang, Yao-Yu; Batten, Stuart R.; Wang, Jian-Ge","Dicarboxylate anion-dependent assembly of Ni(II) coordination polymers with 4,4′-dipyridyl sulfide","CrystEngComm","2009","11","5","777","","10.1039/b815916e","","","0.71073","MoKα","","0.0591","0.0543","","","0.1458","0.1506","","","","","","1.067","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200457","5.0491","0.0007","13.389","0.0016","8.584","0.0011","90","","97.249","0.004","90","","575.66","0.13","123","1","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","NH4cdm","Ammonium carbamoyldicyanomethanide","","- C4 H6 N4 O -","- C4 H6 N4 O -","- C16 H24 N16 O4 -","4","1","","Turner, David R.; MacDonald, Rose; Teng Lee, Wan; Batten, Stuart R.","Ammonium salts of carbamoyldicyanomethanide, C(CN)2(CONH2)−: Effects of hydrogen-bonding cations on anionic networks","CrystEngComm","2009","11","2","298","","10.1039/b815926b","","","0.71073","MoKα","","0.062","0.041","","","0.0964","0.1071","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200458","5.8451","0.0003","12.8144","0.0006","9.5395","0.0005","90","","103.573","0.004","90","","694.57","0.06","123","1","123","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","MeH3cdm","Methylammonium carbamoyldicyanomethanide","","- C5 H8 N4 O -","- C5 H8 N4 O -","- C20 H32 N16 O4 -","4","1","","Turner, David R.; MacDonald, Rose; Teng Lee, Wan; Batten, Stuart R.","Ammonium salts of carbamoyldicyanomethanide, C(CN)2(CONH2)−: Effects of hydrogen-bonding cations on anionic networks","CrystEngComm","2009","11","2","298","","10.1039/b815926b","","","0.71073","MoKα","","0.0695","0.0554","","","0.1185","0.1279","","","","","","1.137","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200459","7.188","0.0018","8.2151","0.0021","8.5656","0.0023","71.608","0.008","65.906","0.008","75.772","0.008","434.1","0.2","123","1","123","1","","","","","","","","4","P -1","-P 1","2","[Me2H2N](cdm)","dimethylammonium carbamoyldicyanomethanide","","- C6 H10 N4 O -","- C6 H10 N4 O -","- C12 H20 N8 O2 -","2","1","","Turner, David R.; MacDonald, Rose; Teng Lee, Wan; Batten, Stuart R.","Ammonium salts of carbamoyldicyanomethanide, C(CN)2(CONH2)−: Effects of hydrogen-bonding cations on anionic networks","CrystEngComm","2009","11","2","298","","10.1039/b815926b","","","0.71073","MoKα","","0.0817","0.071","","","0.1602","0.1662","","","","","","1.174","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200460","19.6961","0.0012","7.0629","0.0004","16.3887","0.0009","90","","125.203","0.003","90","","1862.9","0.2","123","1","123","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[Me3HN](cdm)","trimethylammonium carbamoyldicyanomethanide","","- C7 H12 N4 O -","- C7 H12 N4 O -","- C56 H96 N32 O8 -","8","1","","Turner, David R.; MacDonald, Rose; Teng Lee, Wan; Batten, Stuart R.","Ammonium salts of carbamoyldicyanomethanide, C(CN)2(CONH2)−: Effects of hydrogen-bonding cations on anionic networks","CrystEngComm","2009","11","2","298","","10.1039/b815926b","","","0.71073","MoKα","","0.0574","0.0496","","","0.1034","0.1087","","","","","","1.128","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200461","8.9167","0.0003","8.8432","0.0003","13.5613","0.0005","90","","94.897","0.002","90","","1065.43","0.06","123","1","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Me4Ncdm","Tetramethylammonium carbamoyldicyanomethanide","","- C8 H14 N4 O -","- C8 H14 N4 O -","- C32 H56 N16 O4 -","4","1","","Turner, David R.; MacDonald, Rose; Teng Lee, Wan; Batten, Stuart R.","Ammonium salts of carbamoyldicyanomethanide, C(CN)2(CONH2)−: Effects of hydrogen-bonding cations on anionic networks","CrystEngComm","2009","11","2","298","","10.1039/b815926b","","","0.71073","MoKα","","0.049","0.0405","","","0.0933","0.0978","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200462","19.1746","0.0018","9.5707","0.0008","13.9859","0.0018","90","","93.109","0.004","90","","2562.8","0.5","123","1","123","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Triethylmethylammonium carbamoyldicyanomethanide","Triethylmethylammonium carbamoyldicyanomethanide","","- C11 H20 N4 O -","- C11 H20 N4 O -","- C88 H160 N32 O8 -","8","2","","Turner, David R.; MacDonald, Rose; Teng Lee, Wan; Batten, Stuart R.","Ammonium salts of carbamoyldicyanomethanide, C(CN)2(CONH2)−: Effects of hydrogen-bonding cations on anionic networks","CrystEngComm","2009","11","2","298","","10.1039/b815926b","","","0.71073","MoKα","","0.1346","0.1091","","","0.2274","0.2425","","","","","","1.207","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200463","9.4203","0.0019","17.1223","0.0036","9.8809","0.0023","90","","116.939","0.007","90","","1420.8","0.5","123","1","123","1","","","","","","","","4","P 1 21 1","P 2yb","4","BzMe3N(cdm)","Benzyltrimethylammonium Carbamoyldicyanomethanide","","- C14 H18 N4 O -","- C14 H18 N4 O -","- C56 H72 N16 O4 -","4","2","","Turner, David R.; MacDonald, Rose; Teng Lee, Wan; Batten, Stuart R.","Ammonium salts of carbamoyldicyanomethanide, C(CN)2(CONH2)−: Effects of hydrogen-bonding cations on anionic networks","CrystEngComm","2009","11","2","298","","10.1039/b815926b","","","0.71073","MoKα","","0.0614","0.0549","","","0.1225","0.1295","","","","","","1.075","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200464","12.3447","0.0003","4.5957","0.0001","11.4845","0.0003","90","","95.416","0.002","90","","648.64","0.03","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C32 H26 N6 O2 -","2","1","","Kalita, Dipjyoti; Sarma, Rupam; Baruah, Jubaraj B.","Formation of symmetry non-equivalent molecules in urea and carbamate derivatives: the role of anion","CrystEngComm","2009","11","5","803","","10.1039/b815962a","","","0.71073","MoKα","","0.0272","0.026","","","0.0639","0.0646","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200465","19.584","0.005","8.062","0.0019","20.523","0.005","90","","90","","90","","3240.3","1.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H14 Cl N3 O5 -","- C16 H14 Cl N3 O5 -","- C128 H112 Cl8 N24 O40 -","8","2","","Kalita, Dipjyoti; Sarma, Rupam; Baruah, Jubaraj B.","Formation of symmetry non-equivalent molecules in urea and carbamate derivatives: the role of anion","CrystEngComm","2009","11","5","803","","10.1039/b815962a","","","0.71073","MoKα","","0.1926","0.0785","","","0.1532","0.1806","","","","","","1.24","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200466","19.5575","0.0015","8.7354","0.0007","17.3377","0.0018","90","","113.379","0.005","90","","2718.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C128 H104 N24 O8 -","8","2","","Kalita, Dipjyoti; Sarma, Rupam; Baruah, Jubaraj B.","Formation of symmetry non-equivalent molecules in urea and carbamate derivatives: the role of anion","CrystEngComm","2009","11","5","803","","10.1039/b815962a","","","0.71073","MoKα","","0.172","0.0635","","","0.1124","0.1493","","","","","","1.017","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200467","17.719","0.003","15.831","0.003","18.506","0.003","90","","106.694","0.009","90","","4972.3","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C96 H92 Cl6 N18 O33 -","- C96 H88 Cl6 N18 O33 -","- C192 H176 Cl12 N36 O66 -","2","0.5","","Kalita, Dipjyoti; Sarma, Rupam; Baruah, Jubaraj B.","Formation of symmetry non-equivalent molecules in urea and carbamate derivatives: the role of anion","CrystEngComm","2009","11","5","803","","10.1039/b815962a","","","0.71073","MoKα","","0.1658","0.0646","","","0.1703","0.2215","","","","","","0.946","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200468","9.8403","0.0008","10.5515","0.0011","13.0173","0.0011","90","","90","","90","","1351.6","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Kalita, Dipjyoti; Sarma, Rupam; Baruah, Jubaraj B.","Formation of symmetry non-equivalent molecules in urea and carbamate derivatives: the role of anion","CrystEngComm","2009","11","5","803","","10.1039/b815962a","","","0.71073","MoKα","","0.1121","0.0657","","","0.1478","0.183","","","","","","1.037","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200469","7.428","0.002","13.936","0.004","17.274","0.005","108.989","0.005","93.671","0.005","97.095","0.005","1667.5","0.8","296","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 Cl2 N4 O13 -","- C32 H28 Cl2 N4 O13 -","- C64 H56 Cl4 N8 O26 -","2","1","","Kalita, Dipjyoti; Sarma, Rupam; Baruah, Jubaraj B.","Formation of symmetry non-equivalent molecules in urea and carbamate derivatives: the role of anion","CrystEngComm","2009","11","5","803","","10.1039/b815962a","","","0.71073","MoKα","","0.2752","0.0949","","","0.1407","0.1671","","","","","","1.331","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200470","23.922","0.002","23.154","0.002","28.13","0.003","90","","100.444","0.002","90","","15323","2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C124 H152 Mn4 N8 O28 S8 -","- C112 H112 Mn4 N4 O24 S8 -","- C448 H448 Mn16 N16 O96 S32 -","4","1","","Dai, Fangna; He, Haiyan; Xie, Aiping; Chu, Guodong; Sun, Daofeng; Ke, Yanxiong","Self-assembly of a novel metal‒organic coordination cage (MOCC) based on a new flexible dicarboxylate ligand: synthesis, crystal structure and magnetic property","CrystEngComm","2009","11","1","47","","10.1039/b816015p","","","0.71073","MoKα","","0.1295","0.0701","","","0.1866","0.2103","","","","","","0.85","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200471","9.7297","0.0002","10.5937","0.0002","24.9904","0.0003","87.271","0.001","80.123","0.001","86.955","0.001","2532.15","0.08","296","","296","","","","","","","","","5","P -1","-P 1","2","","Hexamelaminium-nitrato-tetraoxalatoytterbate(III)-triaqua","","- C26 H49.3 N37 O22.65 Yb -","- C26 H46 N37 O22.65 Yb -","- C52 H92 N74 O45.3 Yb2 -","2","1","","Baisch, Ulrich; Braga, Dario","[Yb(C2O4)4]5−‒ a versatile metal‒organic building block for layered coordination polymers","CrystEngComm","2009","11","1","40","","10.1039/b816022h","","","0.7107","MoKα","","0.0722","0.0475","","","0.1456","0.1494","","","","","","1.307","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200472","4.8414","0.0003","32.557","0.003","5.7845","0.0009","90","","96.016","0.007","90","","906.74","0.17","293","","293","","","","","","","","hydrothermal synthesis","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H7 Cu O6 P -","- C7 H7 Cu O6 P -","- C28 H28 Cu4 O24 P4 -","4","1","","Rueff, Jean-Michel; Caignaert, Vincent; Leclaire, André; Simon, Charles; Haelters, Jean-Pierre; Jaffrès, Paul-Alain","m-phosphonobenzoic acid and copper(II) as precursors of helical chain and lamellar hybrid materials","CrystEngComm","2009","11","4","556","559","10.1039/b816132c","","","0.71069","MoKα","","0.0463","0.0289","","","0.0295","0.0308","","","","1.81","1.81","1.64","","","","has coordinates","218463","2020-10-21","18:00:00",""
"7200473","14.656","0.003","14.656","0.003","16.905","0.002","90","","90","","120","","3144.7","1","293","","293","","","","","","","","hydrothermal synthesis","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C28 H30 Cu6 O27 P4 -","- C28 H32 Cu6 O28 P4 -","- C84 H96 Cu18 O84 P12 -","3","0.25","","Rueff, Jean-Michel; Caignaert, Vincent; Leclaire, André; Simon, Charles; Haelters, Jean-Pierre; Jaffrès, Paul-Alain","m-phosphonobenzoic acid and copper(II) as precursors of helical chain and lamellar hybrid materials","CrystEngComm","2009","11","4","556","559","10.1039/b816132c","","","0.71069","MoKα","","0.0972","0.0484","","","0.0493","0.0528","","","","1.89","1.89","1.56","","","","has coordinates","218463","2020-10-21","18:00:00",""
"7200474","7.6207","0.001","20.686","0.003","11.6092","0.0016","90","","97.296","0.002","90","","1815.3","0.4","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H34 Cu4 N2 O28 -","- C24 H29 Cu4 N2 O29 -","- C48 H58 Cu8 N4 O58 -","2","1","","Liu, Ming-Li; Shi, Wei; Song, Hai-Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Open and closed copper chain coordination polymers with alternating ferromagnetic and antiferromagnetic interactions","CrystEngComm","2009","11","1","102","","10.1039/b816161p","","","0.71073","MoKα","","0.0309","0.0279","","","0.0644","0.0657","","","","","","1.015","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200475","8.903","0.005","23.565","0.014","8.164","0.005","90","","111.178","0.009","90","","1597.1","1.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Cu3 N2 O23 -","- C25 H26 Cu3 N2 O23 -","- C50 H52 Cu6 N4 O46 -","2","0.5","","Liu, Ming-Li; Shi, Wei; Song, Hai-Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","Open and closed copper chain coordination polymers with alternating ferromagnetic and antiferromagnetic interactions","CrystEngComm","2009","11","1","102","","10.1039/b816161p","","","0.71073","MoKα","","0.0456","0.0372","","","0.1159","0.1212","","","","","","1.09","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200476","12.664","0.004","8.986","0.003","14.687","0.005","90","","114.762","0.005","90","","1517.7","0.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 N4 O2 -","- C18 H14 N4 O2 -","- C72 H56 N16 O8 -","4","1","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Metal‒organic frameworks derived from bis-pyridyl-bis-amide ligands: Effect of positional isomerism of the ligands, hydrogen bonding backbone, counter anions on the supramolecular structures and selective crystallization of the sulfate anion","CrystEngComm","2009","11","5","796","802","10.1039/b816221b","","","0.71073","MoKα","","0.0539","0.043","","","0.1077","0.1144","","","","","","1.073","","","","has coordinates","218466","2020-10-21","18:00:00",""
"7200477","14.4804","0.0007","14.4804","0.0007","18.9354","0.0018","90","","90","","120","","3438.5","0.4","298","2","298","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C36 H28 Cl2 Co N8 O4 -","- C36 H28 Cl2 Co N8 O4 -","- C108 H84 Cl6 Co3 N24 O12 -","3","0.5","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Metal‒organic frameworks derived from bis-pyridyl-bis-amide ligands: Effect of positional isomerism of the ligands, hydrogen bonding backbone, counter anions on the supramolecular structures and selective crystallization of the sulfate anion","CrystEngComm","2009","11","5","796","802","10.1039/b816221b","","","0.71073","MoKα","","0.1187","0.0585","","","0.1375","0.1532","","","","","","0.862","","","","has coordinates","218466","2020-10-21","18:00:00",""
"7200478","9.131","0.004","11.139","0.004","20.248","0.007","89.912","0.007","85.131","0.009","70.814","0.007","1937.3","1.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H28 Cd N10 O10 -","- C36 H28 Cd N10 O9.98 -","- C72 H56 Cd2 N20 O19.96 -","2","1","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Metal‒organic frameworks derived from bis-pyridyl-bis-amide ligands: Effect of positional isomerism of the ligands, hydrogen bonding backbone, counter anions on the supramolecular structures and selective crystallization of the sulfate anion","CrystEngComm","2009","11","5","796","802","10.1039/b816221b","","","0.71073","MoKα","","0.1438","0.0768","","","0.1659","0.1956","","","","","","0.927","","","","has coordinates","218466","2020-10-21","18:00:00",""
"7200479","9.9398","0.0008","16.813","0.0013","14.9567","0.0012","90","","95.146","0.001","90","","2489.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Co N4 O13 S -","- C18 H28 Co N4 O13 S -","- C72 H112 Co4 N16 O52 S4 -","4","1","","Adarsh, N. N.; Kumar, D. Krishna; Dastidar, Parthasarathi","Metal‒organic frameworks derived from bis-pyridyl-bis-amide ligands: Effect of positional isomerism of the ligands, hydrogen bonding backbone, counter anions on the supramolecular structures and selective crystallization of the sulfate anion","CrystEngComm","2009","11","5","796","802","10.1039/b816221b","","","0.71073","MoKα","","0.0644","0.0553","","","0.1272","0.1317","","","","","","1.175","","","","has coordinates","218466","2020-10-21","18:00:00",""
"7200481","20.008","0.002","53.655","0.006","8.9809","0.001","90","","90","","90","","9641.3","1.8","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C48 H46 Cd2 N8 O11 -","- C48 H44 Cd2 N8 O11 -","- C384 H352 Cd16 N64 O88 -","8","0.5","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Batten, Stuart R.","Four-, and six-connected entangled frameworks based on flexible bis(imidazole) ligands and long dicarboxylate anions","CrystEngComm","2009","11","1","151","159","10.1039/b816356c","","","0.71073","MoKα","","0.0818","0.0471","","","0.0853","0.0959","","","","","","0.898","","","","has coordinates","218469","2020-10-21","18:00:00",""
"7200482","8.8554","0.0011","19.877","0.002","26.017","0.003","90","","97.727","0.002","90","","4537.9","0.9","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C48 H46 N8 Ni2 O11 -","- C48 H46 N8 Ni2 O11 -","- C192 H184 N32 Ni8 O44 -","4","1","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Batten, Stuart R.","Four-, and six-connected entangled frameworks based on flexible bis(imidazole) ligands and long dicarboxylate anions","CrystEngComm","2009","11","1","151","159","10.1039/b816356c","","","0.71073","MoKα","","0.0845","0.0543","","","0.0854","0.0947","","","","","","0.878","","","","has coordinates","218469","2020-10-21","18:00:00",""
"7200483","12.999","0.003","6.7152","0.0014","16.547","0.003","90","","95.999","0.004","90","","1436.5","0.5","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C26 H24 Co N4 O5 -","- C26 H22 Co N4 O5 -","- C52 H44 Co2 N8 O10 -","2","0.5","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Batten, Stuart R.","Four-, and six-connected entangled frameworks based on flexible bis(imidazole) ligands and long dicarboxylate anions","CrystEngComm","2009","11","1","151","159","10.1039/b816356c","","","0.71073","MoKα","","0.1473","0.095","","","0.2125","0.2474","","","","","","1.033","","","","has coordinates","218469","2020-10-21","18:00:00",""
"7200484","8.6765","0.0009","11.9414","0.0012","24.044","0.002","81.697","0.002","88.455","0.002","84.325","0.002","2452.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H99 Co4 N16 O19 -","- C104 H96 Co4 N16 O19 -","- C104 H96 Co4 N16 O19 -","1","0.5","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Batten, Stuart R.","Four-, and six-connected entangled frameworks based on flexible bis(imidazole) ligands and long dicarboxylate anions","CrystEngComm","2009","11","1","151","159","10.1039/b816356c","","","0.71073","MoKα","","0.1053","0.0672","","","0.1296","0.1501","","","","","","1.038","","","","has coordinates","218469","2020-10-21","18:00:00",""
"7200485","14.7584","0.001","14.263","0.0009","12.199","0.0008","90","","90","","90","","2567.9","0.3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C28 H22 Cd N4 O5 -","- C28 H22 Cd N4 O5 -","- C112 H88 Cd4 N16 O20 -","4","0.5","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Batten, Stuart R.","Four-, and six-connected entangled frameworks based on flexible bis(imidazole) ligands and long dicarboxylate anions","CrystEngComm","2009","11","1","151","159","10.1039/b816356c","","","0.71073","MoKα","","0.0248","0.0224","","","0.0561","0.0575","","","","","","1.043","","","","has coordinates","218469","2020-10-21","18:00:00",""
"7200486","28.442","0.003","5.7468","0.0006","24.666","0.003","90","","112.039","0.002","90","","3737.1","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C84 H68 N8 Ni4 O24 -","- C84 H68 N8 Ni4 O24 -","- C168 H136 N16 Ni8 O48 -","2","0.25","","Yang, Jin; Ma, Jian-Fang; Liu, Ying-Ying; Batten, Stuart R.","Four-, and six-connected entangled frameworks based on flexible bis(imidazole) ligands and long dicarboxylate anions","CrystEngComm","2009","11","1","151","159","10.1039/b816356c","","","0.71073","MoKα","","0.0547","0.0414","","","0.09","0.0962","","","","","","1.022","","","","has coordinates","218469","2020-10-21","18:00:00",""
"7200487","10.241","0.0008","25.067","0.0019","17.916","0.0014","90","","102.304","0.014","90","","4493.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C98 H108 Cl N5 O16 -","- C99 H107 Cl N4 O16 -","- C198 H214 Cl2 N8 O32 -","2","0.5","","Pescatori, Luca; Arduini, Arturo; Pochini, Andrea; Secchi, Andrea; Massera, Chiara; Ugozzoli, Franco","Self-assembly of heteroditopic calix[4]arene capsules through ion-pair recognition","CrystEngComm","2009","11","2","239","","10.1039/b816490h","","","0.71073","MoKα","","0.1598","0.1049","","","0.3235","0.3624","","","","","","1.01","","","","has coordinates","180335","2020-10-21","18:00:00",""
"7200489","6.4341","0.0012","7.3046","0.0014","8.8257","0.0017","85.98","0.004","88.527","0.004","83.187","0.004","410.79","0.14","293","2","293","2","","","","","","","","5","P 1","P 1","1","1-(2,3,4,5,6-pentafluorobenzyl)-3-benzylimidazolium bromide","1-(2,3,4,5,6-pentafluorobenzyl)-3-benzylimidazolium bromide","","- C17 H12 Br F5 N2 -","- C17 H12 Br F5 N2 -","- C17 H12 Br F5 N2 -","1","1","","Serrano-Becerra, J. M.; Hernández-Ortega, S.; Morales-Morales, D.; Valdés-Martínez, J.","Bottom-up design and construction of a non-centrosymmetric network through π‒π stacking interactions","CrystEngComm","2009","11","2","226","228","10.1039/b816630g","","","0.71073","MoKα","","0.0411","0.0363","","","0.0752","0.0765","","","","","","0.911","","","","has coordinates","218392","2020-10-21","18:00:00",""
"7200490","3.799","0.0003","10.4652","0.0009","12.4395","0.001","90","","90.309","0.006","90","","494.55","0.07","273","2","273","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C12 H6 O4 -","- C12 H6 O4 -","- C24 H12 O8 -","2","0.5","","Saravanakumar, Rajendran; Varghese, Babu; Sankararaman, Sethuraman","Hydrogen-bond network in isomeric phenylenedipropynoic acids and their DABCO salts. Water mediated helical hydrogen bond motifs","CrystEngComm","2009","11","2","337","346","10.1039/b816658g","","","0.71073","MoKα","","0.0919","0.0683","","","0.1602","0.1736","","","","","","1.191","","","","has coordinates","218424","2020-10-21","18:00:00",""
"7200491","8.5222","0.0004","9.1871","0.0005","23.073","0.0011","90","","97.067","0.002","90","","1792.76","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N2 O6 -","- C18 H22 N2 O6 -","- C72 H88 N8 O24 -","4","1","","Saravanakumar, Rajendran; Varghese, Babu; Sankararaman, Sethuraman","Hydrogen-bond network in isomeric phenylenedipropynoic acids and their DABCO salts. Water mediated helical hydrogen bond motifs","CrystEngComm","2009","11","2","337","346","10.1039/b816658g","","","0.71073","MoKα","","0.0961","0.0765","","","0.2051","0.2269","","","","","","1.113","","","","has coordinates,has disorder","218424","2020-10-21","18:00:00",""
"7200492","56.173","0.005","3.777","0.005","11.66","0.005","90","0.005","96.062","0.005","90","0.005","2460","3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H10 O6 -","- C12 H10 O6 -","- C96 H80 O48 -","8","1","","Saravanakumar, Rajendran; Varghese, Babu; Sankararaman, Sethuraman","Hydrogen-bond network in isomeric phenylenedipropynoic acids and their DABCO salts. Water mediated helical hydrogen bond motifs","CrystEngComm","2009","11","2","337","346","10.1039/b816658g","","","0.71073","MoKα","","0.0588","0.047","","","0.1659","0.1783","","","","","","1.174","","","","has coordinates","218424","2020-10-21","18:00:00",""
"7200493","3.7812","0.0003","6.1345","0.0005","13.3677","0.0011","101.929","0.005","93.522","0.005","93.507","0.005","301.94","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H10 O6 -","- C12 H10 O6 -","- C12 H10 O6 -","1","0.5","","Saravanakumar, Rajendran; Varghese, Babu; Sankararaman, Sethuraman","Hydrogen-bond network in isomeric phenylenedipropynoic acids and their DABCO salts. Water mediated helical hydrogen bond motifs","CrystEngComm","2009","11","2","337","346","10.1039/b816658g","","","0.71073","MoKα","","0.0497","0.0422","","","0.1188","0.1298","","","","","","1.089","","","","has coordinates","218424","2020-10-21","18:00:00",""
"7200494","9.523","0.0018","17.603","0.005","9.8656","0.0017","90","0.018","103.425","0.013","90","0.019","1608.6","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C72 H72 N8 O16 -","4","1","","Saravanakumar, Rajendran; Varghese, Babu; Sankararaman, Sethuraman","Hydrogen-bond network in isomeric phenylenedipropynoic acids and their DABCO salts. Water mediated helical hydrogen bond motifs","CrystEngComm","2009","11","2","337","346","10.1039/b816658g","","","1.5418","CuKα","","0.0866","0.063","","","0.2672","0.2783","","","","","","1.095","","","","has coordinates","218424","2020-10-21","18:00:00",""
"7200495","8.4405","0.0006","11.4677","0.0008","11.7069","0.0008","108.704","0.001","95","0.001","95.813","0.001","1059.14","0.13","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H14 Cl2 Cu2 N2 O7 S2 -","- C14 H14 Cl2 Cu2 N2 O7 S2 -","- C28 H28 Cl4 Cu4 N4 O14 S4 -","2","1","","Carballo, Rosa; Covelo, Berta; Fernández-Hermida, Nuria; Lago, Ana B.; Vázquez-López, Ezequiel M.","From copper(II) carboxylate to copper(II) 4-pyridylsulfonate coordination polymers as a consequence of the copper(II)-assisted oxidative cleavage of the 4,4'-dipyridyldisulfide ligand","CrystEngComm","2009","11","5","817","826","10.1039/b816721d","","","0.71073","MoKα","","0.0516","0.0416","","","0.1074","0.112","","","","","","1.046","","","","has coordinates","218472","2020-10-21","18:00:00",""
"7200496","18.9365","0.0013","10.7022","0.0007","20.3222","0.0014","90","","114.901","0.001","90","","3735.7","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Cu N6 O10 S6 -","- C30 H32 Cu N6 O10 S6 -","- C120 H128 Cu4 N24 O40 S24 -","4","0.5","","Carballo, Rosa; Covelo, Berta; Fernández-Hermida, Nuria; Lago, Ana B.; Vázquez-López, Ezequiel M.","From copper(II) carboxylate to copper(II) 4-pyridylsulfonate coordination polymers as a consequence of the copper(II)-assisted oxidative cleavage of the 4,4'-dipyridyldisulfide ligand","CrystEngComm","2009","11","5","817","826","10.1039/b816721d","","","0.71073","MoKα","","0.0715","0.0361","","","0.0635","0.0697","","","","","","0.883","","","","has coordinates","218472","2020-10-21","18:00:00",""
"7200497","20.144","0.002","16.6614","0.0017","10.5603","0.0011","90","","90","","90","","3544.3","0.6","293","2","293","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C30 H28 Cu N6 O8 S6 -","- C30 H24 Cu N6 O8 S6 -","- C120 H96 Cu4 N24 O32 S24 -","4","","","Carballo, Rosa; Covelo, Berta; Fernández-Hermida, Nuria; Lago, Ana B.; Vázquez-López, Ezequiel M.","From copper(II) carboxylate to copper(II) 4-pyridylsulfonate coordination polymers as a consequence of the copper(II)-assisted oxidative cleavage of the 4,4'-dipyridyldisulfide ligand","CrystEngComm","2009","11","5","817","826","10.1039/b816721d","","","0.71073","MoKα","","0.1314","0.0497","","","0.0665","0.0794","","","","","","0.774","","","","has coordinates","218472","2020-10-21","18:00:00",""
"7200498","7.6637","0.0014","7.8319","0.0014","10.2543","0.0018","71.048","0.003","83.663","0.003","77.074","0.003","566.89","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H24 Cu N2 O10 S4 -","- C14 H24 Cu N2 O10 S4 -","- C14 H24 Cu N2 O10 S4 -","1","0.5","","Carballo, Rosa; Covelo, Berta; Fernández-Hermida, Nuria; Lago, Ana B.; Vázquez-López, Ezequiel M.","From copper(II) carboxylate to copper(II) 4-pyridylsulfonate coordination polymers as a consequence of the copper(II)-assisted oxidative cleavage of the 4,4'-dipyridyldisulfide ligand","CrystEngComm","2009","11","5","817","826","10.1039/b816721d","","","0.71073","MoKα","","0.0541","0.0375","","","0.0871","0.0951","","","","","","1.073","","","","has coordinates","218472","2020-10-21","18:00:00",""
"7200500","6.8018","0.0001","10.1299","0.0003","16.5594","0.0004","90","","95.4264","0.0017","90","","1135.86","0.05","150","1","150","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 N5 -","- C12 H8 N5 -","- C48 H32 N20 -","4","1","","Piccoli, Paula M. B.; Schultz, Arthur J.; Sparkes, Hazel A.; Howard, Judith A. K.; Arif, Atta M.; Dawe, Louise N.; Miller, Joel S.","[MeNC5H5]2[TCNE]2 (TCNE = tetracyanoethylene). Single crystal X-ray and neutron diffraction characterization of an exceptionally long 2.8 Å C‒C bond","CrystEngComm","2009","11","4","686","","10.1039/b816817b","","","0.71073","MoKα","","0.0441","0.0343","","","0.0815","0.0872","","","","","","1.026","","","","has coordinates,has disorder","180336","2020-10-21","18:00:00",""
"7200501","6.731","0.001","9.996","0.002","16.489","0.004","90","","95.235","0.019","90","","1104.8","0.4","50","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 N5 -","- C12 H8 N5 -","- C48 H32 N20 -","4","1","","Piccoli, Paula M. B.; Schultz, Arthur J.; Sparkes, Hazel A.; Howard, Judith A. K.; Arif, Atta M.; Dawe, Louise N.; Miller, Joel S.","[MeNC5H5]2[TCNE]2 (TCNE = tetracyanoethylene). Single crystal X-ray and neutron diffraction characterization of an exceptionally long 2.8 Å C‒C bond","CrystEngComm","2009","11","4","686","","10.1039/b816817b","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200502","6.7484","0.0002","10.0584","0.0003","16.5583","0.0005","90","","95.276","0.001","90","","1119.18","0.06","50","2","50","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 N5 -","- C12 H8 N5 -","- C48 H32 N20 -","4","1","","Piccoli, Paula M. B.; Schultz, Arthur J.; Sparkes, Hazel A.; Howard, Judith A. K.; Arif, Atta M.; Dawe, Louise N.; Miller, Joel S.","[MeNC5H5]2[TCNE]2 (TCNE = tetracyanoethylene). Single crystal X-ray and neutron diffraction characterization of an exceptionally long 2.8 Å C‒C bond","CrystEngComm","2009","11","4","686","","10.1039/b816817b","","","0.71073","MoKα","","0.046","0.0368","","","0.092","0.0974","","","","","","1.041","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200503","11.016","0.002","25.86","0.005","4.517","0.0009","90","","90","","90","","1286.8","0.4","294","2","113","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","bis(3-pyrazinylcarbonylaminopropyl)amine","","","- C16 H37 N7 O10 -","- C16 H37 N7 O10 -","- C32 H74 N14 O20 -","2","0.5","","Shi, Xue-Fang; Song, Hai-Bin; He, Lei; Zhang, Wen-Qin","Observation of a quasi-one-dimensional water aggregate in a supramolecular organic host","CrystEngComm","2009","11","4","542","","10.1039/b816974h","","","0.71073","MoKα","","0.0602","0.0469","","","0.1105","0.1168","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200504","26.349","0.004","7.3596","0.0011","8.8067","0.0013","90","","101.072","0.002","90","","1676","0.4","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H8 Br N4 O -","- C20 H8 Br N4 O -","- C80 H32 Br4 N16 O4 -","4","1","","Imai, Yoshitane; Kamon, Kensaku; Kido, Shingo; Harada, Takunori; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Formation and crystal structure of the chiral charge-transfer complex with axially chiral 1,1'-bis-2-naphthol derivatives and tetracyanobenzene","CrystEngComm","2009","11","4","620","624","10.1039/b817131a","","","0.71073","MoKα","","0.0309","0.0275","","","0.0577","0.0641","","","","","","0.987","","","","has coordinates","218475","2020-10-21","18:00:00",""
"7200505","26.469","0.003","7.274","0.0008","8.7625","0.001","90","","100.479","0.002","90","","1659","0.3","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C21 H11 N4 O -","- C21 H11 N4 O -","- C84 H44 N16 O4 -","4","1","","Imai, Yoshitane; Kamon, Kensaku; Kido, Shingo; Harada, Takunori; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko; Matsubara, Yoshio","Formation and crystal structure of the chiral charge-transfer complex with axially chiral 1,1'-bis-2-naphthol derivatives and tetracyanobenzene","CrystEngComm","2009","11","4","620","624","10.1039/b817131a","","","0.71073","MoKα","","0.0619","0.0481","","","0.1068","0.1238","","","","","","1.053","","","","has coordinates","218475","2020-10-21","18:00:00",""
"7200506","8.635","0.001","8.67","0.001","14.688","0.002","89.29","0.01","88.85","0.01","60.12","0.01","953.3","0.2","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C25 H60 Cl3 N7 O14 Zn -","- C25 H56 Cl3 N7 O14 Zn -","- C25 H56 Cl3 N7 O14 Zn -","1","1","","Harrowfield, Jack M.; Koutsantonis, George A.; Nealon, Gareth L.; Skelton, Brian W.; Spackman, Mark A.","Proton switching of polarity in metalloamphiphile crystals","CrystEngComm","2009","11","2","249","253","10.1039/b817145a","","","0.71073","MoKα","","0.0687","0.0431","","","0.0945","0.1011","","","","","","0.884","","","","has coordinates,has disorder","218478","2020-10-21","18:00:00",""
"7200507","15.4878","0.0007","8.8523","0.0005","49.23","0.003","90","","92.832","0.006","90","","6741.3","0.6","100","2","100","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C25 H55.5 Cl2 N7 O8.25 Zn -","- C25 H55 Cl2 N7 O8.247 Zn -","- C200 H440 Cl16 N56 O65.976 Zn8 -","8","1","","Harrowfield, Jack M.; Koutsantonis, George A.; Nealon, Gareth L.; Skelton, Brian W.; Spackman, Mark A.","Proton switching of polarity in metalloamphiphile crystals","CrystEngComm","2009","11","2","249","253","10.1039/b817145a","","","1.54184","CuKα","","0.1503","0.1009","","","0.2935","0.331","","","","","","1.059","","","","has coordinates,has disorder","218478","2020-10-21","18:00:00",""
"7200508","7.176","0.0013","10.5145","0.0018","20.899","0.004","90","","99.3","0.003","90","","1556.1","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Cadmium thiosulfate","","","- C10 H16 Cd N2 O7 S2 -","- C10 H14 Cd N2 O7 S2 -","- C40 H56 Cd4 N8 O28 S8 -","4","1","","Paul, Avijit Kumar; Madras, Giridhar; Natarajan, Srinivasan","The illustrative use of thiosulfate in the formation of new three-dimensional hybrid structures","CrystEngComm","2009","11","1","55","","10.1039/b817150p","","","0.71073","MoKα","","0.0374","0.0323","","","0.0792","0.0823","","","","","","1.109","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200509","12.628","0.002","15.081","0.002","17.362","0.003","90","","107.076","0.003","90","","3160.7","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Cadmium thiosulfate","","","- C15 H12 Cd N3 O3 S2 -","- C15 H12 Cd N3 O3 S2 -","- C120 H96 Cd8 N24 O24 S16 -","8","1","","Paul, Avijit Kumar; Madras, Giridhar; Natarajan, Srinivasan","The illustrative use of thiosulfate in the formation of new three-dimensional hybrid structures","CrystEngComm","2009","11","1","55","","10.1039/b817150p","","","0.71073","MoKα","","0.0433","0.0332","","","0.07","0.0742","","","","","","1.09","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200510","11.0343","0.0017","15.894","0.002","15.823","0.002","90","","91.969","0.003","90","","2773.4","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cadmium thiosulfate","","","- C25 H20 Cd2 N5 O6 S4 -","- C25 H20 Cd2 N5 O6 S4 -","- C100 H80 Cd8 N20 O24 S16 -","4","1","","Paul, Avijit Kumar; Madras, Giridhar; Natarajan, Srinivasan","The illustrative use of thiosulfate in the formation of new three-dimensional hybrid structures","CrystEngComm","2009","11","1","55","","10.1039/b817150p","","","0.71073","MoKα","","0.0558","0.0372","","","0.0646","0.0705","","","","","","1.099","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200511","8.5157","0.0003","10.8984","0.0003","17.6615","0.0006","90","","90","","90","","1639.12","0.09","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H20 Cu N2 O9 -","- C10 H20 Cu N2 O9 -","- C40 H80 Cu4 N8 O36 -","4","1","","Wu, Shu-Pao; Lee, Chih-Hao","Infinite chiral single-helical structures formed by the self-assembly of Cu(ii)-N-(2-pyridylmethyl)-aspartate complexes","CrystEngComm","2009","11","2","219","","10.1039/b817157m","","","0.71073","MoKα","","0.0728","0.0522","","","0.1227","0.1657","","","","","","1.103","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200512","11.2411","0.0003","16.5043","0.0005","8.4442","0.0003","90","","90","","90","","1566.62","0.08","296","2","296","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C10 H20 Cu N2 O9 -","- C10 H19 Cu N2 O8.5 -","- C40 H76 Cu4 N8 O34 -","4","1","","Wu, Shu-Pao; Lee, Chih-Hao","Infinite chiral single-helical structures formed by the self-assembly of Cu(ii)-N-(2-pyridylmethyl)-aspartate complexes","CrystEngComm","2009","11","2","219","","10.1039/b817157m","","","0.71073","MoKα","","0.0549","0.0361","","","0.0968","0.1494","","","","","","1.078","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200516","20.2664","0.0017","5.8748","0.0005","13.1428","0.0011","90","","90","","90","","1564.8","0.2","291","2","291","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C31 H35 Cu2 N7 O S2 -","- C31 H35 Cu2 N7 O S2 -","- C62 H70 Cu4 N14 O2 S4 -","2","0.25","","Ren, Shi-Bin; Yang, Xiao-Li; Zhang, Jun; Li, Yi-Zhi; Zheng, You-Xuan; Du, Hong-Bin; You, Xiao-Zeng","An infinite photoluminescent coordination nanotube [CuSCN(L)]·(DMF)0.5","CrystEngComm","2009","11","2","246","","10.1039/b817229c","","","0.71073","MoKα","","0.0426","0.0372","","","0.0921","0.094","","","","","","1.089","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200529","10.7482","0.0005","17.4273","0.0008","16.4072","0.0006","90","","120.69","0.002","90","","2642.8","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 Co N2 O9 -","- C25 H28 Co N2 O9 -","- C100 H112 Co4 N8 O36 -","4","1","","Karmakar, Anirban; Baruah, Jubaraj B.; Boomi Shankar, R.","Zinc(II) and cobalt(II) complexes of (3-carboxymethoxy-naphthalen-2-yloxy)-acetic acid: a structural study","CrystEngComm","2009","11","5","832","","10.1039/b817416d","","","0.71073","MoKα","","0.0759","0.0464","","","0.1233","0.1364","","","","","","1.056","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200530","10.727","0.002","17.456","0.004","16.435","0.003","90","","120.721","0.012","90","","2645.6","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 N2 O9 Zn -","- C25 H25 N2 O9 Zn -","- C100 H100 N8 O36 Zn4 -","4","1","","Karmakar, Anirban; Baruah, Jubaraj B.; Boomi Shankar, R.","Zinc(II) and cobalt(II) complexes of (3-carboxymethoxy-naphthalen-2-yloxy)-acetic acid: a structural study","CrystEngComm","2009","11","5","832","","10.1039/b817416d","","","0.71073","MoKα","","0.0757","0.0583","","","0.1759","0.1889","","","","","","1.051","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200531","16.3719","0.0006","22.7018","0.0006","7.4514","0.0002","90","","94.705","0.002","90","","2760.14","0.15","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Na2 O14 Zn -","- C28 H22 Na2 O14 Zn -","- C112 H88 Na8 O56 Zn4 -","4","0.5","","Karmakar, Anirban; Baruah, Jubaraj B.; Boomi Shankar, R.","Zinc(II) and cobalt(II) complexes of (3-carboxymethoxy-naphthalen-2-yloxy)-acetic acid: a structural study","CrystEngComm","2009","11","5","832","","10.1039/b817416d","","","0.71073","MoKα","","0.0438","0.0328","","","0.0831","0.0891","","","","","","1.028","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200532","10.8004","0.0001","11.7121","0.0002","15.6378","0.0002","102.683","0.001","106.283","0.001","101.937","0.001","1774.72","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 N4 O12 Zn -","- C34 H38 N4 O12 Zn -","- C68 H76 N8 O24 Zn2 -","2","1","","Karmakar, Anirban; Baruah, Jubaraj B.; Boomi Shankar, R.","Zinc(II) and cobalt(II) complexes of (3-carboxymethoxy-naphthalen-2-yloxy)-acetic acid: a structural study","CrystEngComm","2009","11","5","832","","10.1039/b817416d","","","0.71073","MoKα","","0.0919","0.057","","","0.1659","0.1915","","","","","","1.025","","","","has coordinates","187625","2020-10-21","18:00:00",""
"7200533","9.3548","0.0003","18.3574","0.0006","18.7369","0.0006","90","","115.724","0.002","90","","2898.8","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 N7 O7 Zn -","- C26 H29 N7 O7 Zn -","- C104 H116 N28 O28 Zn4 -","4","1","","Karmakar, Anirban; Baruah, Jubaraj B.; Boomi Shankar, R.","Zinc(II) and cobalt(II) complexes of (3-carboxymethoxy-naphthalen-2-yloxy)-acetic acid: a structural study","CrystEngComm","2009","11","5","832","","10.1039/b817416d","","","0.71073","MoKα","","0.06","0.0442","","","0.1193","0.1303","","","","","","1.036","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200534","8.6774","0.0007","11.7824","0.0009","12.3236","0.0015","108.07","0.003","94.205","0.003","109.158","0.002","1109.77","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H42 N4 Na2 O18 Zn2 -","- C40 H40 N4 Na2 O18 Zn2 -","- C40 H40 N4 Na2 O18 Zn2 -","1","0.5","","Karmakar, Anirban; Baruah, Jubaraj B.; Boomi Shankar, R.","Zinc(II) and cobalt(II) complexes of (3-carboxymethoxy-naphthalen-2-yloxy)-acetic acid: a structural study","CrystEngComm","2009","11","5","832","","10.1039/b817416d","","","0.71073","MoKα","","0.0576","0.0397","","","0.1022","0.1117","","","","","","1.038","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200535","11.3948","0.0005","17.2622","0.0007","22.0932","0.0009","98.39","0.002","90.784","0.002","98.487","0.002","4249.4","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H88 N10 O35 Zn4 -","- C74 H76 N10 O35 Zn4 -","- C148 H152 N20 O70 Zn8 -","2","1","","Karmakar, Anirban; Baruah, Jubaraj B.; Boomi Shankar, R.","Zinc(II) and cobalt(II) complexes of (3-carboxymethoxy-naphthalen-2-yloxy)-acetic acid: a structural study","CrystEngComm","2009","11","5","832","","10.1039/b817416d","","","0.71073","MoKα","","0.1093","0.0692","","","0.2142","0.2467","","","","","","1.054","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7200536","11.4686","0.0007","18.0561","0.0011","17.4989","0.001","90","","103.013","0.003","90","","3530.6","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 N4 O9 Zn -","- C38 H26 N4 O9 Zn -","- C152 H104 N16 O36 Zn4 -","4","1","","Karmakar, Anirban; Baruah, Jubaraj B.; Boomi Shankar, R.","Zinc(II) and cobalt(II) complexes of (3-carboxymethoxy-naphthalen-2-yloxy)-acetic acid: a structural study","CrystEngComm","2009","11","5","832","","10.1039/b817416d","","","0.71073","MoKα","","0.13","0.0911","","","0.2745","0.3227","","","","","","1.155","","","","has coordinates,has disorder","180336","2020-10-21","18:00:00",""
"7200537","11.983","0.003","12.683","0.003","13.089","0.004","75.057","0.01","89.597","0.011","71.714","0.01","1819","0.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H27 Cl N4 O10 Zn -","- C38 H26 Cl N4 O10 Zn -","- C76 H52 Cl2 N8 O20 Zn2 -","2","1","","Karmakar, Anirban; Baruah, Jubaraj B.; Boomi Shankar, R.","Zinc(II) and cobalt(II) complexes of (3-carboxymethoxy-naphthalen-2-yloxy)-acetic acid: a structural study","CrystEngComm","2009","11","5","832","","10.1039/b817416d","","","0.71073","MoKα","","0.1149","0.0863","","","0.28","0.3065","","","","","","1.141","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200538","7.404","0.0015","26.67","0.005","8.218","0.0016","90","","99.2","0.03","90","","1601.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 Mn N0 O5 S4 -","- C12 H8 Mn O5 S4 -","- C48 H32 Mn4 O20 S16 -","4","1","","Wang, Sujing; Xiong, Shunshun; Song, Lexin; Wang, Zhiyong","Influence of co-ligands and solvents on the packing and photoluminescence of three related MnII metal‒organic frameworks","CrystEngComm","2009","11","5","896","901","10.1039/b817418k","","","1.5418","CuKα","","0.0346","0.0284","","","0.072","0.0739","","","","","","1.001","","","","has coordinates","218481","2020-10-21","18:00:00",""
"7200539","11.0311","0.0004","11.5197","0.0005","27.033","0.001","90","","100.739","0.004","90","","3375.1","0.2","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C26 H18 Mn2 N2 O11 S6 -","- C26 H18 Mn2 N2 O11 S6 -","- C104 H72 Mn8 N8 O44 S24 -","4","0.5","","Wang, Sujing; Xiong, Shunshun; Song, Lexin; Wang, Zhiyong","Influence of co-ligands and solvents on the packing and photoluminescence of three related MnII metal‒organic frameworks","CrystEngComm","2009","11","5","896","901","10.1039/b817418k","","","1.54184","CuKα","","0.0342","0.0305","","","0.0889","0.0903","","","","","","1.094","","","","has coordinates","218481","2020-10-21","18:00:00",""
"7200540","20.1491","0.0003","7.6548","0.0001","25.6413","0.0005","90","","90","","90","","3954.85","0.11","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H13 Mn N2 O5 S3 -","- C18 H13 Mn N2 O5 S3 -","- C144 H104 Mn8 N16 O40 S24 -","8","1","","Wang, Sujing; Xiong, Shunshun; Song, Lexin; Wang, Zhiyong","Influence of co-ligands and solvents on the packing and photoluminescence of three related MnII metal‒organic frameworks","CrystEngComm","2009","11","5","896","901","10.1039/b817418k","","","1.54184","CuKα","","0.0365","0.0305","","","0.0852","0.0869","","","","","","1.007","","","","has coordinates","218481","2020-10-21","18:00:00",""
"7200541","13.264","0.003","13.611","0.003","14.666","0.003","109.4","0.03","116.56","0.03","98.51","0.03","2091.4","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H56 Cu3 N16 O44 P W12 -","- C56 H56 Cu3 N16 O44 P W12 -","- C56 H56 Cu3 N16 O44 P W12 -","1","0.5","","Zhang, Peng-Peng; Peng, Jun; Sha, Jing-Quan; Tian, Ai-Xiang; Pang, Hai-Jun; Chen, Yuan; Zhu, Min","Assembly of two new polyoxometalate-templated supramolecular compounds by utilizing a ligand with a combination of rigidness and flexibility","CrystEngComm","2009","11","5","902","908","10.1039/b817653a","","","0.71073","MoKα","","0.0727","0.0506","","","0.1152","0.1284","","","","","","1.057","","","","has coordinates","218484","2020-10-21","18:00:00",""
"7200542","11.0336","0.0015","12.6711","0.0017","13.1776","0.0018","104.684","0.002","97.188","0.002","100.502","0.002","1723.6","0.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H42 Cu3 Mo12 N12 O40 P -","- C42 H42 Cu3 Mo12 N12 O40 P -","- C42 H42 Cu3 Mo12 N12 O40 P -","1","0.5","","Zhang, Peng-Peng; Peng, Jun; Sha, Jing-Quan; Tian, Ai-Xiang; Pang, Hai-Jun; Chen, Yuan; Zhu, Min","Assembly of two new polyoxometalate-templated supramolecular compounds by utilizing a ligand with a combination of rigidness and flexibility","CrystEngComm","2009","11","5","902","908","10.1039/b817653a","","","0.71073","MoKα","","0.0768","0.0459","","","0.1125","0.1283","","","","","","1.059","","","","has coordinates","218484","2020-10-21","18:00:00",""
"7200543","16.2898","0.0008","7.7309","0.0004","22.0964","0.0011","90","","104.532","0.002","90","","2693.7","0.2","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C60 H68 Cu2 N4 O14 -","- C60 H68 Cu2 N4 O14 -","- C120 H136 Cu4 N8 O28 -","2","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Hierarchical multicomponent assembly utilizing sequential metal‒ligand and hydrogen-bonding interactions","CrystEngComm","2009","11","4","657","662","10.1039/b817706f","","","0.71073","MoKα","","0.0667","0.03","","0.0558","0.031","0.031","","","","","","1.1162","","","","has coordinates","218487","2020-10-21","18:00:00",""
"7200544","5.5583","0.0002","20.5367","0.0006","10.824","0.0003","90","","103.482","0.001","90","","1201.5","0.07","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H33 Cu N3 O5 -","- C26 H33 Cu N3 O5 -","- C52 H66 Cu2 N6 O10 -","2","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Hierarchical multicomponent assembly utilizing sequential metal‒ligand and hydrogen-bonding interactions","CrystEngComm","2009","11","4","657","662","10.1039/b817706f","","","0.71073","MoKα","","0.0328","0.0227","","0.0273","0.024","0.024","","","","","","1.085","","","","has coordinates","218487","2020-10-21","18:00:00",""
"7200545","8.8855","0.0004","10.8153","0.0004","13.0636","0.0005","97.313","0.002","109.121","0.002","107.198","0.002","1097.61","0.08","123","","123","","","","","","","","","5","P 1","P 1","1","","","","- C24 H30 Cu N2 O5 -","- C24 H30 Cu N2 O5 -","- C48 H60 Cu2 N4 O10 -","2","2","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Hierarchical multicomponent assembly utilizing sequential metal‒ligand and hydrogen-bonding interactions","CrystEngComm","2009","11","4","657","662","10.1039/b817706f","","","0.71073","MoKα","","0.0652","0.0311","","0.0561","0.0317","0.0317","","","","","","1.0829","","","","has coordinates","218487","2020-10-21","18:00:00",""
"7200546","7.9957","0.0004","9.7477","0.0006","10.7688","0.0008","63.248","0.004","69.699","0.004","87.997","0.004","695.52","0.08","253","2","253","2","","","","","","","","7","P -1","-P 1","2","","","","- C5 H16 Cd Cl3 N3 O2 S -","- C5 H16 Cd Cl3 N3 O2 S -","- C10 H32 Cd2 Cl6 N6 O4 S2 -","2","1","","Yu, Jie-Hui; Wang, Xu-Mei; Ye, Ling; Hou, Qin; Yang, Qing-Feng; Xu, Ji-Qing","Organically templated chained chlorocadmates and cadmium-chloro thiocyanates","CrystEngComm","2009","11","6","1037","","10.1039/b817781c","","","0.71073","MoKα","","0.0519","0.0389","","","0.098","0.1035","","","","","","0.99","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200547","8.3087","0.0017","13.661","0.003","15.298","0.003","113.89","0.03","96.41","0.03","102.12","0.03","1514.2","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H30 Cd3 Cl8 N6 O S2 -","- C14 H30 Cd3 Cl8 N6 O S2 -","- C28 H60 Cd6 Cl16 N12 O2 S4 -","2","1","","Yu, Jie-Hui; Wang, Xu-Mei; Ye, Ling; Hou, Qin; Yang, Qing-Feng; Xu, Ji-Qing","Organically templated chained chlorocadmates and cadmium-chloro thiocyanates","CrystEngComm","2009","11","6","1037","","10.1039/b817781c","","","0.71073","MoKα","","0.0387","0.0317","","","0.0786","0.0876","","","","","","1.124","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200548","7.5685","0.0015","20.604","0.004","10.448","0.002","90","","104.89","0.03","90","","1574.6","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Cd2 Cl6 N2 O -","- C6 H16 Cd2 Cl6 N2 O -","- C24 H64 Cd8 Cl24 N8 O4 -","4","1","","Yu, Jie-Hui; Wang, Xu-Mei; Ye, Ling; Hou, Qin; Yang, Qing-Feng; Xu, Ji-Qing","Organically templated chained chlorocadmates and cadmium-chloro thiocyanates","CrystEngComm","2009","11","6","1037","","10.1039/b817781c","","","0.71073","MoKα","","0.0215","0.0196","","","0.0483","0.0489","","","","","","1.113","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200549","6.803","0.003","11.084","0.005","10.664","0.005","90","","107.066","0.004","90","","768.7","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C4 H16 Cd2 Cl6 N2 O2 -","- C4 H12 Cd2 Cl6 N2 O2 -","- C8 H24 Cd4 Cl12 N4 O4 -","2","0.5","","Yu, Jie-Hui; Wang, Xu-Mei; Ye, Ling; Hou, Qin; Yang, Qing-Feng; Xu, Ji-Qing","Organically templated chained chlorocadmates and cadmium-chloro thiocyanates","CrystEngComm","2009","11","6","1037","","10.1039/b817781c","","","0.71073","MoKα","","0.0342","0.0292","","","0.0638","0.0655","","","","","","1.067","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200550","10.839","0.002","12.536","0.003","18.91","0.004","90","","90","","90","","2569.4","0.9","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H13 Cl N4 S2 Zn -","- C8 H13 Cl N4 S2 Zn -","- C64 H104 Cl8 N32 S16 Zn8 -","8","1","","Yu, Jie-Hui; Wang, Xu-Mei; Ye, Ling; Hou, Qin; Yang, Qing-Feng; Xu, Ji-Qing","Organically templated chained chlorocadmates and cadmium-chloro thiocyanates","CrystEngComm","2009","11","6","1037","","10.1039/b817781c","","","0.71073","MoKα","","0.0626","0.0512","","","0.1135","0.1186","","","","","","1.144","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200551","8.637","0.0004","20.346","0.002","9.7847","0.0005","90","","90","","90","","1719.4","0.2","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H14 I4 N4 Pb -","- C6 H14 I4 N4 Pb -","- C24 H56 I16 N16 Pb4 -","4","0.5","","Mercier, Nicolas; Louvain, Nicolas; Bi, Wenhua","Structural diversity and retro-crystal engineering analysis of iodometalate hybrids","CrystEngComm","2009","11","5","720","","10.1039/b817891g","","x-ray","0.71073","MoKα","","","0.0332","","","","0.0581","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200552","15.732","0.004","10.328","0.003","15.061","0.004","90","","116.494","0.004","90","","2190.1","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Cl3 In N3 O7 -","- C17 H19 Cl3 In N3 O7 -","- C68 H76 Cl12 In4 N12 O28 -","4","1","","Gao, Qiang; Jiang, Fei-Long; Wu, Ming-Yan; Huang, You-Gui; Yuan, Da-Qiang; Wei, Wei; Hong, Mao-Chun","Indium(iii)-2,5-pyridine dicarboxylate complexes with mononuclear, 1D chain, 2D layer and 3D chiral frameworks","CrystEngComm","2009","11","5","918","","10.1039/b817972g","","","0.71073","MoKα","","0.0329","0.0278","","","0.0603","0.0631","","","","","","1.045","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200553","15.79","0.007","18.403","0.008","18.777","0.007","113.459","0.003","104.03","0.005","97.84","","4687","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H77 In2 N15 O36 -","- C89 H61 In2 N15 O36 -","- C178 H122 In4 N30 O72 -","2","1","","Gao, Qiang; Jiang, Fei-Long; Wu, Ming-Yan; Huang, You-Gui; Yuan, Da-Qiang; Wei, Wei; Hong, Mao-Chun","Indium(iii)-2,5-pyridine dicarboxylate complexes with mononuclear, 1D chain, 2D layer and 3D chiral frameworks","CrystEngComm","2009","11","5","918","","10.1039/b817972g","","","0.71073","MoKα","","0.1459","0.0929","","","0.2251","0.2668","","","","","","1.102","","","","has coordinates,has disorder","180336","2020-10-21","18:00:00",""
"7200554","8.958","0.002","14.948","0.003","30.757","0.008","89.685","0.006","89.532","0.005","78.434","0.005","4034.7","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H62 In2 N12 O31 -","- C72 H48 In2 N12 O31 -","- C144 H96 In4 N24 O62 -","2","1","","Gao, Qiang; Jiang, Fei-Long; Wu, Ming-Yan; Huang, You-Gui; Yuan, Da-Qiang; Wei, Wei; Hong, Mao-Chun","Indium(iii)-2,5-pyridine dicarboxylate complexes with mononuclear, 1D chain, 2D layer and 3D chiral frameworks","CrystEngComm","2009","11","5","918","","10.1039/b817972g","","","0.71073","MoKα","","0.1035","0.072","","","0.1969","0.2276","","","","","","1.019","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200555","8.114","0.004","12.648","0.006","16.325","0.006","90","","115.375","0.019","90","","1513.7","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H44 Cl4 In4 N8 O28 -","- C48 H44 Cl4 In4 N8 O28 -","- C48 H44 Cl4 In4 N8 O28 -","1","0.25","","Gao, Qiang; Jiang, Fei-Long; Wu, Ming-Yan; Huang, You-Gui; Yuan, Da-Qiang; Wei, Wei; Hong, Mao-Chun","Indium(iii)-2,5-pyridine dicarboxylate complexes with mononuclear, 1D chain, 2D layer and 3D chiral frameworks","CrystEngComm","2009","11","5","918","","10.1039/b817972g","","","0.71073","MoKα","","0.024","0.0228","","","0.0604","0.0612","","","","","","1.138","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200556","10.8599","0.0005","11.5232","0.0004","11.6934","0.0006","90","","114.691","0.002","90","","1329.54","0.1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H14 Cl2 In2 N4 O8 -","- C24 H14 Cl2 In2 N4 O8 -","- C48 H28 Cl4 In4 N8 O16 -","2","1","","Gao, Qiang; Jiang, Fei-Long; Wu, Ming-Yan; Huang, You-Gui; Yuan, Da-Qiang; Wei, Wei; Hong, Mao-Chun","Indium(iii)-2,5-pyridine dicarboxylate complexes with mononuclear, 1D chain, 2D layer and 3D chiral frameworks","CrystEngComm","2009","11","5","918","","10.1039/b817972g","","","0.71073","MoKα","","0.0178","0.0173","","","0.0445","0.0447","","","","","","1.072","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200557","7.0901","0.0012","17.798","0.003","11.1041","0.0014","90","","121.728","0.008","90","","1191.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17.2 Co N10 O2.6 -","- C26 H17.2 Co N10 O2.6 -","- C52 H34.4 Co2 N20 O5.2 -","2","0.5","","Cao, Man-Li; Mo, Hao-Jun; Liang, Jin-Juan; Ye, Bao-Hui","Reversible single-crystal-to-single-crystal transformation driven by adsorption/desorption of water over organic solvents and thermal stimulation","CrystEngComm","2009","11","5","784","","10.1039/b817993j","","","0.71073","MoKα","","0.0461","0.0391","","","0.0963","0.1007","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200558","6.9626","0.0013","17.913","0.003","11.0206","0.0016","90","","121.714","0.008","90","","1169.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 Co N10 O2 -","- C26 H16 Co N10 O2 -","- C52 H32 Co2 N20 O4 -","2","0.5","","Cao, Man-Li; Mo, Hao-Jun; Liang, Jin-Juan; Ye, Bao-Hui","Reversible single-crystal-to-single-crystal transformation driven by adsorption/desorption of water over organic solvents and thermal stimulation","CrystEngComm","2009","11","5","784","","10.1039/b817993j","","","0.71073","MoKα","","0.0516","0.0437","","","0.1098","0.1158","","","","","","1.005","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200559","7.063","0.006","17.792","0.014","11.089","0.007","90","","121.31","0.04","90","","1190.6","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17.2 Co N10 O2.6 -","- C26 H17.2 Co N10 O2.6 -","- C52 H34.4 Co2 N20 O5.2 -","2","0.5","","Cao, Man-Li; Mo, Hao-Jun; Liang, Jin-Juan; Ye, Bao-Hui","Reversible single-crystal-to-single-crystal transformation driven by adsorption/desorption of water over organic solvents and thermal stimulation","CrystEngComm","2009","11","5","784","","10.1039/b817993j","","","0.71073","MoKα","","0.0453","0.04","","","0.1106","0.1148","","","","","","1.007","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200560","7.1011","0.0018","17.44","0.004","11.2157","0.0019","90","","120.736","0.011","90","","1193.9","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17.2 N10 Ni O2.6 -","- C26 H17.2 N10 Ni O2.6 -","- C52 H34.4 N20 Ni2 O5.2 -","2","0.5","","Cao, Man-Li; Mo, Hao-Jun; Liang, Jin-Juan; Ye, Bao-Hui","Reversible single-crystal-to-single-crystal transformation driven by adsorption/desorption of water over organic solvents and thermal stimulation","CrystEngComm","2009","11","5","784","","10.1039/b817993j","","","0.71073","MoKα","","0.0484","0.041","","","0.1064","0.1118","","","","","","1.015","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200561","6.976","0.0009","17.636","0.002","11.053","0.001","90","","121.308","0.006","90","","1161.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H16 N10 Ni O2 -","- C26 H16 N10 Ni O2 -","- C52 H32 N20 Ni2 O4 -","2","0.5","","Cao, Man-Li; Mo, Hao-Jun; Liang, Jin-Juan; Ye, Bao-Hui","Reversible single-crystal-to-single-crystal transformation driven by adsorption/desorption of water over organic solvents and thermal stimulation","CrystEngComm","2009","11","5","784","","10.1039/b817993j","","","0.71073","MoKα","","0.0446","0.0362","","","0.0928","0.0981","","","","","","1.011","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200562","7.0848","0.0009","17.511","0.002","11.1614","0.0011","90","","121.096","0.006","90","","1185.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H17.2 N10 Ni O2.6 -","- C26 H17.2 N10 Ni O2.6 -","- C52 H34.4 N20 Ni2 O5.2 -","2","0.5","","Cao, Man-Li; Mo, Hao-Jun; Liang, Jin-Juan; Ye, Bao-Hui","Reversible single-crystal-to-single-crystal transformation driven by adsorption/desorption of water over organic solvents and thermal stimulation","CrystEngComm","2009","11","5","784","","10.1039/b817993j","","","0.71073","MoKα","","0.0545","0.0455","","","0.1137","0.1195","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200563","14.767","0.003","11.735","0.002","5.0741","0.001","90","","90","","90","","879.3","0.3","150","2","150","2","","","","","","","synthesis as described","4","P n m a","-P 2ac 2n","62","Urea-glutaric acid","Urea-glutaric acid","","- C6 H12 N2 O5 -","- C6 H12 N2 O5 -","- C24 H48 N8 O20 -","4","0.5","","Chadwick, Keith; Davey, Roger; Sadiq, Ghazala; Cross, Wendy; Pritchard, Robin","The utility of a ternary phase diagram in the discovery of new co-crystal forms","CrystEngComm","2009","11","3","412","","10.1039/b818268j","","x-ray","0.71073","MoKα","","0.1432","0.0771","","","0.1543","0.1897","","","","","","1.16","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200564","17.372","0.004","5.1248","0.0013","11.968","0.003","90","","103.925","0.004","90","","1034.2","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(2-hydroxyethyl)-2-oxo-2H-chromene-3-carboxamide","","","- C12 H11 N O4 -","- C12 H11 N O4 -","- C48 H44 N4 O16 -","4","1","","Santos-Contreras, Rocío J.; Martínez-Martínez, Francisco J.; Mancilla-Margalli, N. Alejandra; Peraza-Campos, Ana L.; Morín-Sánchez, Luis M.; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Competition between OH⋯O and multiple halogen‒dipole interactions on the formation of intramolecular three-centred hydrogen bond in 3-acyl coumarins","CrystEngComm","2009","11","7","1451","","10.1039/b818309k","","","0.71073","MoKα","","0.0614","0.0493","","","0.1215","0.1286","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200565","5.0399","0.0013","8.901","0.002","14.031","0.004","94.044","0.004","91.533","0.004","90.092","0.004","627.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","N-(2-hydroxyethyl)-6-nitro-2-oxo-2H-chromene-3-carboxamide hydrate","N-(2-hydroxyethyl)-6-nitro-2-oxo-2H-chromene-3-carboxamide hydrate","","- C12 H12 N2 O7 -","- C12 H12 N2 O7 -","- C24 H24 N4 O14 -","2","1","","Santos-Contreras, Rocío J.; Martínez-Martínez, Francisco J.; Mancilla-Margalli, N. Alejandra; Peraza-Campos, Ana L.; Morín-Sánchez, Luis M.; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Competition between OH⋯O and multiple halogen‒dipole interactions on the formation of intramolecular three-centred hydrogen bond in 3-acyl coumarins","CrystEngComm","2009","11","7","1451","","10.1039/b818309k","","","0.71073","MoKα","","0.0602","0.0537","","","0.1267","0.1304","","","","","","1.243","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200566","6.8051","0.0014","24.947","0.005","8.097","0.003","90","","123.45","0.02","90","","1146.9","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(2-hydroxyethyl)-6-methoxy-2-oxo-2H-chromene-3-carboxamide","N-(2-hydroxyethyl)-6-methoxy-2-oxo-2H-chromene-3-carboxamide","","- C13 H13 N O5 -","- C13 H13 N O5 -","- C52 H52 N4 O20 -","4","1","","Santos-Contreras, Rocío J.; Martínez-Martínez, Francisco J.; Mancilla-Margalli, N. Alejandra; Peraza-Campos, Ana L.; Morín-Sánchez, Luis M.; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Competition between OH⋯O and multiple halogen‒dipole interactions on the formation of intramolecular three-centred hydrogen bond in 3-acyl coumarins","CrystEngComm","2009","11","7","1451","","10.1039/b818309k","","","0.71073","MoKα","","0.0457","0.0378","","","0.1075","0.1138","","","","","","1.019","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200567","5.3567","0.0005","22.078","0.002","9.3087","0.0008","90","","91.873","0.002","90","","1100.31","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6-chloro-N-(2-hydroxyethyl)-2-oxo-2H-chromene-3-carboxamide","6-chloro-N-(2-hydroxyethyl)-2-oxo-2H-chromene-3-carboxamide","","- C12 H10 Cl N O4 -","- C12 H10 Cl N O4 -","- C48 H40 Cl4 N4 O16 -","4","1","","Santos-Contreras, Rocío J.; Martínez-Martínez, Francisco J.; Mancilla-Margalli, N. Alejandra; Peraza-Campos, Ana L.; Morín-Sánchez, Luis M.; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Competition between OH⋯O and multiple halogen‒dipole interactions on the formation of intramolecular three-centred hydrogen bond in 3-acyl coumarins","CrystEngComm","2009","11","7","1451","","10.1039/b818309k","","","0.71073","MoKα","","0.0384","0.0372","","","0.0916","0.0925","","","","","","1.096","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200568","8.2813","0.0007","25.012","0.002","5.5283","0.0005","90","","94.459","0.002","90","","1141.62","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 Br N O4 -","- C12 H10 Br N O4 -","- C48 H40 Br4 N4 O16 -","4","1","","Santos-Contreras, Rocío J.; Martínez-Martínez, Francisco J.; Mancilla-Margalli, N. Alejandra; Peraza-Campos, Ana L.; Morín-Sánchez, Luis M.; García-Báez, Efrén V.; Padilla-Martínez, Itzia I.","Competition between OH⋯O and multiple halogen‒dipole interactions on the formation of intramolecular three-centred hydrogen bond in 3-acyl coumarins","CrystEngComm","2009","11","7","1451","","10.1039/b818309k","","","0.71073","MoKα","","0.0575","0.0544","","","0.1142","0.1158","","","","","","1.166","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200569","3.73872","0.00014","20.1285","0.0005","9.6317","0.0003","90","","98.9799","0.0012","90","","715.95","0.04","144","1","144","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl2 N4 O4 -","- C14 H10 Cl2 N4 O4 -","- C28 H20 Cl4 N8 O8 -","2","0.5","","Seliger, Janez; Žagar, Veselko; Gotoh, Kazuma; Ishida, Hiroyuki; Konnai, Akiko; Amino, Daiki; Asaji, Tetsuo","Hydrogen bonding in 1,2-diazine‒chloranilic acid (2 : 1) studied by a 14N nuclear quadrupole coupling tensor and multi-temperature X-ray diffraction","Physical Chemistry Chemical Physics","2009","11","13","2281","2286","10.1039/b818318j","","","0.71075","MoKα","","0.0353","0.032","","","0.0942","0.0955","","","","","","1.116","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200570","3.75092","0.00013","20.1711","0.0005","9.6437","0.0003","90","","99.1239","0.0012","90","","720.41","0.04","177","1","177","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1,2-diazine‒chloranilic acid (2/1)","","","- C14 H10 Cl2 N4 O4 -","- C14 H10 Cl2 N4 O4 -","- C28 H20 Cl4 N8 O8 -","2","0.5","","Seliger, Janez; Žagar, Veselko; Gotoh, Kazuma; Ishida, Hiroyuki; Konnai, Akiko; Amino, Daiki; Asaji, Tetsuo","Hydrogen bonding in 1,2-diazine‒chloranilic acid (2 : 1) studied by a 14N nuclear quadrupole coupling tensor and multi-temperature X-ray diffraction","Physical Chemistry Chemical Physics","2009","11","13","2281","2286","10.1039/b818318j","","","0.71075","MoKα","","0.0314","0.0291","","","0.0793","0.0803","","","","","","1.101","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200571","3.7572","0.0002","20.1855","0.0012","9.6392","0.0006","90","","99.189","0.002","90","","721.66","0.07","185","1","185","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl2 N4 O4 -","- C14 H10 Cl2 N4 O4 -","- C28 H20 Cl4 N8 O8 -","2","0.5","","Seliger, Janez; Žagar, Veselko; Gotoh, Kazuma; Ishida, Hiroyuki; Konnai, Akiko; Amino, Daiki; Asaji, Tetsuo","Hydrogen bonding in 1,2-diazine‒chloranilic acid (2 : 1) studied by a 14N nuclear quadrupole coupling tensor and multi-temperature X-ray diffraction","Physical Chemistry Chemical Physics","2009","11","13","2281","2286","10.1039/b818318j","","","0.71075","MoKα","","0.0312","0.0278","","","0.0754","0.0779","","","","","","1.09","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200572","3.76378","0.00015","20.2105","0.0005","9.6548","0.0003","90","","99.2919","0.0013","90","","724.78","0.04","212","1","212","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl2 N4 O4 -","- C14 H10 Cl2 N4 O4 -","- C28 H20 Cl4 N8 O8 -","2","0.5","","Seliger, Janez; Žagar, Veselko; Gotoh, Kazuma; Ishida, Hiroyuki; Konnai, Akiko; Amino, Daiki; Asaji, Tetsuo","Hydrogen bonding in 1,2-diazine‒chloranilic acid (2 : 1) studied by a 14N nuclear quadrupole coupling tensor and multi-temperature X-ray diffraction","Physical Chemistry Chemical Physics","2009","11","13","2281","2286","10.1039/b818318j","","","0.71075","MoKα","","0.0352","0.0315","","","0.0877","0.0896","","","","","","1.089","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200573","3.7657","0.0003","20.2197","0.0015","9.6515","0.0007","90","","99.334","0.002","90","","725.15","0.09","220","1","220","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl2 N4 O4 -","- C14 H10 Cl2 N4 O4 -","- C28 H20 Cl4 N8 O8 -","2","0.5","","Seliger, Janez; Žagar, Veselko; Gotoh, Kazuma; Ishida, Hiroyuki; Konnai, Akiko; Amino, Daiki; Asaji, Tetsuo","Hydrogen bonding in 1,2-diazine‒chloranilic acid (2 : 1) studied by a 14N nuclear quadrupole coupling tensor and multi-temperature X-ray diffraction","Physical Chemistry Chemical Physics","2009","11","13","2281","2286","10.1039/b818318j","","","0.71075","MoKα","","0.0344","0.0298","","","0.0805","0.0831","","","","","","1.084","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200574","3.7825","0.0002","20.2466","0.0013","9.6556","0.0006","90","","99.515","0.002","90","","729.28","0.08","258","1","258","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Cl2 N4 O4 -","- C14 H10 Cl2 N4 O4 -","- C28 H20 Cl4 N8 O8 -","2","0.5","","Seliger, Janez; Žagar, Veselko; Gotoh, Kazuma; Ishida, Hiroyuki; Konnai, Akiko; Amino, Daiki; Asaji, Tetsuo","Hydrogen bonding in 1,2-diazine‒chloranilic acid (2 : 1) studied by a 14N nuclear quadrupole coupling tensor and multi-temperature X-ray diffraction","Physical Chemistry Chemical Physics","2009","11","13","2281","2286","10.1039/b818318j","","","0.71075","MoKα","","0.0356","0.0306","","","0.083","0.0857","","","","","","1.087","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200575","30.0965","0.0016","30.0965","0.0016","30.0965","0.0016","90","","90","","90","","27261","3","291","2","291","2","","","","","","","","8","I -4 3 d","I -4bd 2c 3","220","","","","- C32 H50.67 Br4 Cu6 N24 O13.33 S4 W -","- C32 H50.64 Br4 Cu6 N24 O13.3333 S4 W -","- C384 H607.68 Br48 Cu72 N288 O160 S48 W12 -","12","0.25","","Pan, Zhao-Rui; Yao, Xiao-Qiang; Zheng, He-Gen; Li, Yi-Zhi; Guo, Zi-Jian; Batten, Stuart R.","Unusual three-dimensional coordination networks with [WS4Cu6] cluster nodes and α-C3N4 topology","CrystEngComm","2009","11","4","605","","10.1039/b818381c","","","0.71073","MoKα","","0.0562","0.0528","","","0.1182","0.1196","","","","","","1.027","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200576","30.3934","0.0018","30.3934","0.0018","30.3934","0.0018","90","","90","","90","","28076","3","291","2","291","2","","","","","","","","8","I -4 3 d","I -4bd 2c 3","220","","","","- C40 H58.666 Br4 Cu6 N16 O13.333 S4 W -","- C40 H58.6672 Br4 Cu6 N16 O13.3333 S4 W -","- C480 H704.006 Br48 Cu72 N192 O160 S48 W12 -","12","0.25","","Pan, Zhao-Rui; Yao, Xiao-Qiang; Zheng, He-Gen; Li, Yi-Zhi; Guo, Zi-Jian; Batten, Stuart R.","Unusual three-dimensional coordination networks with [WS4Cu6] cluster nodes and α-C3N4 topology","CrystEngComm","2009","11","4","605","","10.1039/b818381c","","","0.71073","MoKα","","0.0502","0.0441","","","0.0843","0.0859","","","","","","1.098","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200577","6.942","0.003","27.341","0.011","11.782","0.005","90","","90.095","0.007","90","","2236.2","1.6","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 F6 Mn O8 -","- C19 H20 F6 Mn O8 -","- C76 H80 F24 Mn4 O32 -","4","1","","Jiang, Xiu-Juan; Zhang, Su-Zhen; Guo, Jian-Hua; Wang, Xiu-Guang; Li, Jin-Shan; Du, Miao","Structural diversity and modulation of metal‒organic coordination frameworks with a flexible V-shaped dicarboxyl building block","CrystEngComm","2009","11","5","855","","10.1039/b818567k","","","0.71073","MoKα","","0.0534","0.0361","","","0.0854","0.0936","","","","","","1.043","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200578","6.877","0.005","27.252","0.018","11.664","0.008","90","","90.052","0.003","90","","2186","3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Co F6 O8 -","- C19 H20 Co F6 O8 -","- C76 H80 Co4 F24 O32 -","4","1","","Jiang, Xiu-Juan; Zhang, Su-Zhen; Guo, Jian-Hua; Wang, Xiu-Guang; Li, Jin-Shan; Du, Miao","Structural diversity and modulation of metal‒organic coordination frameworks with a flexible V-shaped dicarboxyl building block","CrystEngComm","2009","11","5","855","","10.1039/b818567k","","","0.71073","MoKα","","0.0741","0.039","","","0.0836","0.0967","","","","","","1.034","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200579","6.8247","0.0005","27.1975","0.0019","11.5922","0.0008","90","","90.035","0.001","90","","2151.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 F6 Ni O8 -","- C19 H20 F6 Ni O8 -","- C76 H80 F24 Ni4 O32 -","4","1","","Jiang, Xiu-Juan; Zhang, Su-Zhen; Guo, Jian-Hua; Wang, Xiu-Guang; Li, Jin-Shan; Du, Miao","Structural diversity and modulation of metal‒organic coordination frameworks with a flexible V-shaped dicarboxyl building block","CrystEngComm","2009","11","5","855","","10.1039/b818567k","","","0.71073","MoKα","","0.051","0.0358","","","0.0852","0.0929","","","","","","1.029","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200580","12.6969","0.0007","6.9692","0.0004","23.6089","0.0009","90","","118.499","0.002","90","","1835.94","0.17","296","2","296","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C17 H10 Cu F6 O5 -","- C17 H10 Cu F6 O5 -","- C68 H40 Cu4 F24 O20 -","4","1","","Jiang, Xiu-Juan; Zhang, Su-Zhen; Guo, Jian-Hua; Wang, Xiu-Guang; Li, Jin-Shan; Du, Miao","Structural diversity and modulation of metal‒organic coordination frameworks with a flexible V-shaped dicarboxyl building block","CrystEngComm","2009","11","5","855","","10.1039/b818567k","","","0.71073","MoKα","","0.0309","0.0245","","","0.063","0.067","","","","","","1.009","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200581","12.9861","0.0017","12.1989","0.0016","13.2626","0.0017","90","","95.072","0.002","90","","2092.8","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C35 H34 F12 O16 Zn2 -","- C35 H34 F12 O16 Zn2 -","- C70 H68 F24 O32 Zn4 -","2","1","","Jiang, Xiu-Juan; Zhang, Su-Zhen; Guo, Jian-Hua; Wang, Xiu-Guang; Li, Jin-Shan; Du, Miao","Structural diversity and modulation of metal‒organic coordination frameworks with a flexible V-shaped dicarboxyl building block","CrystEngComm","2009","11","5","855","","10.1039/b818567k","","","0.71073","MoKα","","0.0482","0.0357","","","0.0693","0.0746","","","","","","1.002","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200582","30.984","0.006","30.984","0.006","6.7681","0.0014","90","","90","","90","","6497","2","296","2","296","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C34 H18 Ag2 F12 O8 -","- C34 H18 Ag2 F12 O8 -","- C272 H144 Ag16 F96 O64 -","8","1","","Jiang, Xiu-Juan; Zhang, Su-Zhen; Guo, Jian-Hua; Wang, Xiu-Guang; Li, Jin-Shan; Du, Miao","Structural diversity and modulation of metal‒organic coordination frameworks with a flexible V-shaped dicarboxyl building block","CrystEngComm","2009","11","5","855","","10.1039/b818567k","","","0.71073","MoKα","","0.0659","0.0552","","","0.1287","0.135","","","","","","1.083","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200583","5.592","0.003","12.044","0.001","13.131","0.005","90","","96","0.05","90","","879.5","0.6","295","","295","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","nicotinamide fumaric acid 2:1","nicotinamide fumaric acid 2:1","","- C16 H16 N4 O6 -","- C16 H16 N4 O6 -","- C32 H32 N8 O12 -","2","0.5","","Orola, Liana; Veidis, Mikelis V.","Nicotinamide fumaric acid supramolecular cocrystals: diversity of stoichiometry","CrystEngComm","2009","11","3","415","","10.1039/b818667g","","","1.5418","CuKα","","0.058","0.0527","","0.0786","0.0673","0.0673","","","","","","1.1029","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200584","5.55","0.001","13.792","0.001","14.36","0.002","90","","93.41","0.01","90","","1097.2","0.3","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","nicotinamide fumaric acid 1:1","nicotinamide fumaric acid 1:1","","- C10 H10 N2 O5 -","- C10 H10 N2 O5 -","- C40 H40 N8 O20 -","4","1","","Orola, Liana; Veidis, Mikelis V.","Nicotinamide fumaric acid supramolecular cocrystals: diversity of stoichiometry","CrystEngComm","2009","11","3","415","","10.1039/b818667g","","","1.5418","CuKα","","0.0394","0.0329","","0.0582","0.0579","0.0579","","","","","","1.0483","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200589","25.9571","0.0007","25.9571","0.0007","22.5629","0.0012","90","","90","","120","","13165.5","0.9","173","2","173","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C75 H66 Ag4 As4 F24 N18 O9 -","- C75 H63 Ag4 As4 F24 N18 O9 -","- C450 H378 Ag24 As24 F144 N108 O54 -","6","0.166667","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0393","0.0349","","","0.1022","0.106","","","","","","1.041","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200590","26.315","0.004","26.315","0.004","22.502","0.005","90","","90","","120","","13495","4","173","2","173","2","","","","","","","","7","R -3 c :H","-R 3 2""c","167","","","","- C144 H108 Ag8 F48 N36 O12 Sb8 -","- C144 H108 Ag8 F48 N36 O12 Sb8 -","- C432 H324 Ag24 F144 N108 O36 Sb24 -","3","0.0833333","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0481","0.0416","","","0.1115","0.1184","","","","","","1.021","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200591","25.012","0.003","6.9639","0.0008","15.0061","0.0018","90","","116.001","0.002","90","","2349.2","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Ag N7 O5 -","- C24 H18 Ag N7 O5 -","- C96 H72 Ag4 N28 O20 -","4","0.5","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0253","0.0231","","","0.0563","0.0581","","","","","","1.014","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200592","9.9336","0.0007","10.1696","0.0007","13.7544","0.0009","103.346","0.001","91.19","0.001","97.514","0.001","1338.47","0.16","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H22 Ag B F4 N6 O3 -","- C25 H22 Ag B F4 N6 O3 -","- C50 H44 Ag2 B2 F8 N12 O6 -","2","1","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0409","0.0379","","","0.0996","0.1022","","","","","","0.962","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200593","6.2905","0.0005","22.8069","0.0019","10.1479","0.0008","90","","97.173","0.001","90","","1444.5","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Ag2 B2 F8 N8 S2 -","- C24 H16 Ag2 B2 F8 N8 S2 -","- C48 H32 Ag4 B4 F16 N16 S4 -","2","0.5","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0443","0.04","","","0.1057","0.109","","","","","","1.05","","","","has coordinates,has disorder","180336","2020-10-21","18:00:00",""
"7200594","6.3525","0.0006","22.701","0.002","10.3344","0.001","90","","96.948","0.002","90","","1479.4","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Ag2 Cl2 N8 O8 S2 -","- C24 H16 Ag2 Cl2 N8 O8 S2 -","- C48 H32 Ag4 Cl4 N16 O16 S4 -","2","0.5","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0477","0.0401","","","0.1096","0.1163","","","","","","1.05","","","","has coordinates,has disorder","180336","2020-10-21","18:00:00",""
"7200595","6.4014","0.0004","23.1239","0.0016","10.6375","0.0007","90","","96.063","0.001","90","","1565.81","0.18","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 Ag2 F12 N8 P2 S2 -","- C24 H16 Ag2 F12 N8 P2 S2 -","- C48 H32 Ag4 F24 N16 P4 S4 -","2","0.5","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0284","0.0253","","","0.0643","0.0665","","","","","","1.027","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200596","8.4118","0.001","8.6865","0.001","11.089","0.002","86.128","0.007","77.818","0.012","80.346","0.013","780.4","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H16 Ag2 As2 F12 N8 S2 -","- C24 H16 Ag2 As2 F12 N8 S2 -","- C24 H16 Ag2 As2 F12 N8 S2 -","1","0.5","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0346","0.0309","","","0.085","0.0872","","","","","","1.071","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200597","7.8745","0.0014","14.061","0.002","14.463","0.003","68.322","0.003","86.714","0.003","88.93","0.003","1485.7","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H36 Ag4 N20 O13 S4 -","- C49 H36 Ag4 N20 O13 S4 -","- C49 H36 Ag4 N20 O13 S4 -","1","0.5","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0621","0.0467","","","0.1293","0.1406","","","","","","1.005","","","","has coordinates,has disorder","180336","2020-10-21","18:00:00",""
"7200598","7.4577","0.0008","7.5306","0.0008","12.8304","0.0013","101.086","0.002","92.947","0.002","90.682","0.002","706.01","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H16 Ag F6 N8 S2 Sb -","- C24 H16 Ag F6 N8 S2 Sb -","- C24 H16 Ag F6 N8 S2 Sb -","1","0.5","","Niu, Cao-Yuan; Wu, Ben-Lai; Zheng, Xian-Fu; Wan, Xin-Sheng; Zhang, Hong-Yun; Niu, Yun-Yin; Meng, Lu-Yan","Counteranion's effects on the structures of supramolecular silver coordination compounds of one asymmetric and one biting organic ligands","CrystEngComm","2009","11","7","1373","","10.1039/b818745b","","","0.71073","MoKα","","0.0435","0.0405","","","0.1043","0.108","","","","","","1.076","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200599","8.414","0.003","11.946","0.004","11.997","0.004","111.512","0.005","103.439","0.005","94.999","0.005","1071.2","0.6","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H32 Cu N18 O2 S2 -","- C42 H32 Cu N18 O2 S2 -","- C42 H32 Cu N18 O2 S2 -","1","0.5","","Zhao, Xia-Xia; Ma, Jian-Ping; Shen, Da-Zhong; Dong, Yu-Bin; Huang, Ru-Qi","Bird-like spiro-metallacyclic complexes based on a bent oxadiazole bridging ligand","CrystEngComm","2009","11","7","1281","","10.1039/b818753n","","","0.71073","MoKα","","0.1487","0.0785","","","0.1746","0.2094","","","","","","1.017","","","","has coordinates","180336","2020-10-21","18:00:00",""
"7200600","8.335","0.002","12.075","0.003","12.621","0.003","69.886","0.003","78.08","0.004","70.235","0.003","1116.6","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 Cu N18 O12 -","- C40 H40 Cu N18 O12 -","- C40 H40 Cu N18 O12 -","1","0.5","","Zhao, Xia-Xia; Ma, Jian-Ping; Shen, Da-Zhong; Dong, Yu-Bin; Huang, Ru-Qi","Bird-like spiro-metallacyclic complexes based on a bent oxadiazole bridging ligand","CrystEngComm","2009","11","7","1281","","10.1039/b818753n","","","0.71073","MoKα","","0.059","0.0499","","","0.1156","0.1218","","","","","","1.026","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200601","8.816","0.004","11.435","0.005","11.563","0.005","106.243","0.007","101.104","0.007","106.755","0.007","1023.2","0.8","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; Shen, Da-Zhong; Dong, Yu-Bin; Huang, Ru-Qi","Bird-like spiro-metallacyclic complexes based on a bent oxadiazole bridging ligand","CrystEngComm","2009","11","7","1281","","10.1039/b818753n","","","0.71073","MoKα","","0.076","0.0537","","","0.1164","0.1261","","","","","","0.983","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200602","8.184","0.003","12.132","0.005","12.476","0.005","111.198","0.006","93.7","0.007","102.697","0.007","1112.5","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H32 Cd N18 O2 S2 -","- C42 H32 Cd N18 O2 S2 -","- C42 H32 Cd N18 O2 S2 -","1","0.5","","Zhao, Xia-Xia; Ma, Jian-Ping; Shen, Da-Zhong; Dong, Yu-Bin; Huang, Ru-Qi","Bird-like spiro-metallacyclic complexes based on a bent oxadiazole bridging ligand","CrystEngComm","2009","11","7","1281","","10.1039/b818753n","","","0.71073","MoKα","","0.0779","0.0591","","","0.1117","0.1222","","","","","","1.012","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200603","9.915","0.002","11.385","0.003","11.494","0.003","82.08","0.003","81.354","0.003","72.722","0.003","1218.9","0.5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 Cd N10 O S2 -","- C22 H16 Cd N10 O S2 -","- C44 H32 Cd2 N20 O2 S4 -","2","1","","Zhao, Xia-Xia; Ma, Jian-Ping; Shen, Da-Zhong; Dong, Yu-Bin; Huang, Ru-Qi","Bird-like spiro-metallacyclic complexes based on a bent oxadiazole bridging ligand","CrystEngComm","2009","11","7","1281","","10.1039/b818753n","","","0.71073","MoKα","","0.0359","0.0317","","","0.0745","0.0767","","","","","","1.03","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200604","23.327","0.005","9.0863","0.0019","21.994","0.004","90","","113.821","0.003","90","","4264.6","1.5","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H36 Co N18 O10 -","- C40 H36 Co N18 O10 -","- C160 H144 Co4 N72 O40 -","4","0.5","","Zhao, Xia-Xia; Ma, Jian-Ping; Shen, Da-Zhong; Dong, Yu-Bin; Huang, Ru-Qi","Bird-like spiro-metallacyclic complexes based on a bent oxadiazole bridging ligand","CrystEngComm","2009","11","7","1281","","10.1039/b818753n","","","0.71073","MoKα","","0.1062","0.0691","","","0.1305","0.1451","","","","","","1.044","","","","has coordinates,has disorder","180337","2020-10-21","18:00:00",""
"7200605","9.215","0.002","10.272","0.002","12.167","0.003","91.563","0.003","104.441","0.003","90.913","0.003","1114.6","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H40 Cl2 Co N16 O3 -","- C44 H40 Cl2 Co N16 O3 -","- C44 H40 Cl2 Co N16 O3 -","1","0.5","","Zhao, Xia-Xia; Ma, Jian-Ping; Shen, Da-Zhong; Dong, Yu-Bin; Huang, Ru-Qi","Bird-like spiro-metallacyclic complexes based on a bent oxadiazole bridging ligand","CrystEngComm","2009","11","7","1281","","10.1039/b818753n","","","0.71073","MoKα","","0.0669","0.0519","","","0.1106","0.1186","","","","","","1.03","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200606","9.215","0.002","10.272","0.002","12.167","0.003","91.563","0.003","104.441","0.003","90.913","0.003","1114.6","0.4","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H40 Cl2 Mn N16 O3 -","- C44 H40 Cl2 Mn N16 O3 -","- C44 H40 Cl2 Mn N16 O3 -","1","0.5","","Zhao, Xia-Xia; Ma, Jian-Ping; Shen, Da-Zhong; Dong, Yu-Bin; Huang, Ru-Qi","Bird-like spiro-metallacyclic complexes based on a bent oxadiazole bridging ligand","CrystEngComm","2009","11","7","1281","","10.1039/b818753n","","","0.71073","MoKα","","0.0596","0.0476","","","0.1057","0.1138","","","","","","1.035","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200610","8.77","0.008","9.766","0.009","14.282","0.012","90","","95.363","0.012","90","","1217.9","1.9","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H12 F4 N2 O3 S -","- C8 H12 F4 N2 O3 S -","- C32 H48 F16 N8 O12 S4 -","4","1","","Harmer, Mark A.; Junk, Christopher P.; Rostovtsev, Vsevolod V.; Marshall, William J.; Grieco, Liane M.; Vickery, Jemma; Miller, Robert; Work, Stella","Catalytic reactions using superacids in new types of ionic liquids","Green Chemistry","2009","11","4","517","","10.1039/b818788f","","","0.71073","MoKα","","0.0489","0.0417","","","0.1166","0.1231","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200611","9.178","0.004","34.444","0.013","10.022","0.004","90","","91.711","0.007","90","","3167","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 F9 N2 O3 S -","- C10 H11 F9 N2 O3 S -","- C80 H88 F72 N16 O24 S8 -","8","2","","Harmer, Mark A.; Junk, Christopher P.; Rostovtsev, Vsevolod V.; Marshall, William J.; Grieco, Liane M.; Vickery, Jemma; Miller, Robert; Work, Stella","Catalytic reactions using superacids in new types of ionic liquids","Green Chemistry","2009","11","4","517","","10.1039/b818788f","","","0.71073","MoKα","","0.1705","0.0916","","","0.2183","0.258","","","","","","1.07","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200612","16.427","0.0017","6.1377","0.0006","19.2741","0.0019","90","","91.317","0.002","90","","1942.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-O-TOSYL 2,6-O-DIACETYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C18 H20 O10 S -","- C18 H20 O10 S -","- C72 H80 O40 S4 -","4","1","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Isostructural molecular strings linked via conserved dipolar (ether) O⋯CO short contacts in conformational polymorphs of racemic 2,4-di-O-acetyl-6-O-tosyl-myo-inositol 1,3,5-orthoesters","CrystEngComm","2009","11","6","1022","","10.1039/b818888b","","","0.71073","MoKα","","0.0453","0.0404","","","0.1028","0.106","","","","","","1.049","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200613","6.206","0.002","14.602","0.005","42.099","0.013","90","","90","","90","","3815","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-O-TOSYL 2,4-O-DIACETYL MYO-INOSITOL 1,3,5 ORTHOFORMATE","","- C18 H20 O10 S -","- C18 H20 O10 S -","- C144 H160 O80 S8 -","8","1","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Isostructural molecular strings linked via conserved dipolar (ether) O⋯CO short contacts in conformational polymorphs of racemic 2,4-di-O-acetyl-6-O-tosyl-myo-inositol 1,3,5-orthoesters","CrystEngComm","2009","11","6","1022","","10.1039/b818888b","","","0.71073","MoKα","","0.2079","0.0749","","","0.1408","0.1852","","","","","","1.001","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200614","6.2596","0.0008","9.8947","0.0012","17.022","0.002","87.723","0.002","89.46","0.002","76.195","0.002","1023","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","6-O-TOSYL 4,2-DI-O-ACETYL MYO-INOSITOL ORTHOACETATE","","- C19 H22 O10 S -","- C19 H22 O10 S -","- C38 H44 O20 S2 -","2","1","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Isostructural molecular strings linked via conserved dipolar (ether) O⋯CO short contacts in conformational polymorphs of racemic 2,4-di-O-acetyl-6-O-tosyl-myo-inositol 1,3,5-orthoesters","CrystEngComm","2009","11","6","1022","","10.1039/b818888b","","","0.71073","MoKα","","0.0514","0.044","","","0.1136","0.1185","","","","","","1.058","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200615","9.2713","0.0011","35.728","0.004","6.1772","0.0008","90","","90.872","0.002","90","","2045.9","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","6-O-TOSYL 4,2-DI-O-ACETYL MYO-INOSITOL ORTHOACETATE","","- C19 H22 O10 S -","- C19 H22 O10 S -","- C76 H88 O40 S4 -","4","1","","Manoj, K.; Gonnade, Rajesh G.; Bhadbhade, Mohan M.; Shashidhar, Mysore S.","Isostructural molecular strings linked via conserved dipolar (ether) O⋯CO short contacts in conformational polymorphs of racemic 2,4-di-O-acetyl-6-O-tosyl-myo-inositol 1,3,5-orthoesters","CrystEngComm","2009","11","6","1022","","10.1039/b818888b","","","0.71073","MoKα","","0.1404","0.0841","","","0.1332","0.1488","","","","","","1.203","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200620","18.034","0.003","14.2859","0.0009","8.9174","0.001","90","","109.46","0.005","90","","2166.2","0.5","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C15 H17 Ag Cl N4 O5.5 S3 -","- C15 H12 Ag Cl N4 O5.5 S3 -","- C60 H48 Ag4 Cl4 N16 O22 S12 -","4","0.5","","Wei, Wei; Wu, Mingyan; Huang, Yougui; Gao, Qiang; Zhang, Qingfu; Jiang, Feilong; Hong, Maochun","Precursory disilver(I) macrocycle with pendent binding sites: a new building block for targeting coordination polymers based on solvent-controlled conformational variation","CrystEngComm","2009","11","4","576","","10.1039/b818930g","","","0.71073","MoKα","","0.0454","0.0395","","","0.1002","0.1051","","","","","","1.049","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200621","26.425","0.003","27.128","0.003","10.9079","0.0014","90","","90","","90","","7819.4","1.6","293","2","293","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C28 H24 Ag2 Cl2 N8 O8 S6 -","- C28 H24 Ag2 Cl2 N8 O8 S6 -","- C224 H192 Ag16 Cl16 N64 O64 S48 -","8","1","","Wei, Wei; Wu, Mingyan; Huang, Yougui; Gao, Qiang; Zhang, Qingfu; Jiang, Feilong; Hong, Maochun","Precursory disilver(I) macrocycle with pendent binding sites: a new building block for targeting coordination polymers based on solvent-controlled conformational variation","CrystEngComm","2009","11","4","576","","10.1039/b818930g","","","0.71073","MoKα","","0.0488","0.0457","","","0.1278","0.1321","","","","","","1.061","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200622","8.553","0.002","8.713","0.003","22.141","0.002","90","","90","","90","","1650","0.7","30","","10","","","","","","","","Sigma Aldrich","5","P b c a","-P 2ac 2ab","61","O-methyl-2-aminoisobutyric acid hydrochloride","O-methyl-2-aminoisobutyric acid hydrochloride","","- C5 H12 Cl N O2 -","- C5 H12 Cl N O2 -","- C40 H96 Cl8 N8 O16 -","8","1","","Dittrich, Birger; Warren, John E.; Fabbiani, Francesca P. A.; Morgenroth, Wolfgang; Corry, Ben","Temperature dependence of rotational disorder in a non-standard amino acid from X-ray crystallography and molecular dynamics simulation","Physical Chemistry Chemical Physics","2009","11","15","2601","2609","10.1039/b819157c","","x-ray","0.5166","","","0.0668","0.035","","","","0.0422","","","","","","1.4058","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200623","8.5862","0.0001","8.7421","0.0001","22.2501","0.0002","90","","90","","90","","1670.12","0.03","30","","30","","","","","","","","Sigma Aldrich","5","P b c a","-P 2ac 2ab","61","O-methyl-2-aminoisobutyric acid hydrochloride","O-methyl-2-aminoisobutyric acid hydrochloride","","- C5 H12 Cl N O2 -","- C5 H12 Cl N O2 -","- C40 H96 Cl8 N8 O16 -","8","1","","Dittrich, Birger; Warren, John E.; Fabbiani, Francesca P. A.; Morgenroth, Wolfgang; Corry, Ben","Temperature dependence of rotational disorder in a non-standard amino acid from X-ray crystallography and molecular dynamics simulation","Physical Chemistry Chemical Physics","2009","11","15","2601","2609","10.1039/b819157c","","x-ray","0.475","","","0.0421","0.0202","","","","0.0228","","","","","","1.659","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200624","8.5889","0.0001","8.7603","0.0001","22.2425","0.0003","90","","90","","90","","1673.56","0.04","50","","50","","","","","","","","Sigma Aldrich","5","P b c a","-P 2ac 2ab","61","O-methyl-2-aminoisobutyric acid hydrochloride","O-methyl-2-aminoisobutyric acid hydrochloride","","- C5 H12 Cl N O2 -","- C5 H12 Cl N O2 -","- C40 H96 Cl8 N8 O16 -","8","1","","Dittrich, Birger; Warren, John E.; Fabbiani, Francesca P. A.; Morgenroth, Wolfgang; Corry, Ben","Temperature dependence of rotational disorder in a non-standard amino acid from X-ray crystallography and molecular dynamics simulation","Physical Chemistry Chemical Physics","2009","11","15","2601","2609","10.1039/b819157c","","x-ray","0.475","","","0.0577","0.027","","","","0.0282","","","","","","2.1592","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200625","8.5921","0.0001","8.7611","0.0001","22.2484","0.0003","90","","90","","90","","1674.78","0.04","70","","70","","","","","","","","Sigma Aldrich","5","P b c a","-P 2ac 2ab","61","O-methyl-2-aminoisobutyric acid hydrochloride","O-methyl-2-aminoisobutyric acid hydrochloride","","- C5 H12 Cl N O2 -","- C5 H12 Cl N O2 -","- C40 H96 Cl8 N8 O16 -","8","1","","Dittrich, Birger; Warren, John E.; Fabbiani, Francesca P. A.; Morgenroth, Wolfgang; Corry, Ben","Temperature dependence of rotational disorder in a non-standard amino acid from X-ray crystallography and molecular dynamics simulation","Physical Chemistry Chemical Physics","2009","11","15","2601","2609","10.1039/b819157c","","x-ray","0.475","","","0.0647","0.0329","","","","0.0344","","","","","","2.0841","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200626","8.6018","0.0001","8.7828","0.0001","22.2584","0.0003","90","","90","","90","","1681.58","0.04","100","","100","","","","","","","","Sigma Aldrich","5","P b c a","-P 2ac 2ab","61","O-methyl-2-aminoisobutyric acid hydrochloride","O-methyl-2-aminoisobutyric acid hydrochloride","","- C5 H12 Cl N O2 -","- C5 H12 Cl N O2 -","- C40 H96 Cl8 N8 O16 -","8","1","","Dittrich, Birger; Warren, John E.; Fabbiani, Francesca P. A.; Morgenroth, Wolfgang; Corry, Ben","Temperature dependence of rotational disorder in a non-standard amino acid from X-ray crystallography and molecular dynamics simulation","Physical Chemistry Chemical Physics","2009","11","15","2601","2609","10.1039/b819157c","","x-ray","0.475","","","0.0853","0.0354","","","","0.0402","","","","","","2.2454","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200627","8.7114","0.0012","13.7087","0.0018","11.8156","0.0016","90","","93.082","0.002","90","","1409","0.3","291","2","291","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H6 Cd3 Cl3 N9 -","- C6 H6 Cd3 Cl3 N9 -","- C24 H24 Cd12 Cl12 N36 -","4","0.5","","Zhou, Xin-Hui; Peng, Yan-Hong; Du, Xiao-Di; Zuo, Jing-Lin; You, Xiao-Zeng","Hydrothermal syntheses and structures of three novel coordination polymers assembled from 1,2,3-triazolate ligands","CrystEngComm","2009","11","9","1964","","10.1039/b819302a","","","0.71073","MoKα","","0.0412","0.038","","","0.0941","0.0962","","","","","","1.073","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200628","18.5954","0.0008","18.5954","0.0008","18.5954","0.0008","90","","90","","90","","6430.1","0.5","291","2","291","2","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","","","- C12 H24 Cd3 N18 O6 -","- C12 H12 Cd3 N18 O6 -","- C96 H96 Cd24 N144 O48 -","8","0.0416667","","Zhou, Xin-Hui; Peng, Yan-Hong; Du, Xiao-Di; Zuo, Jing-Lin; You, Xiao-Zeng","Hydrothermal syntheses and structures of three novel coordination polymers assembled from 1,2,3-triazolate ligands","CrystEngComm","2009","11","9","1964","","10.1039/b819302a","","","0.71073","MoKα","","0.049","0.0363","","","0.0628","0.0649","","","","","","1.326","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200629","17.54","0.004","18.008","0.004","11.256","0.003","90","","90","","90","","3555.3","1.5","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H6 Cu6 I3 N9 -","- C6 H6 Cu6 I3 N9 -","- C48 H48 Cu48 I24 N72 -","8","1","","Zhou, Xin-Hui; Peng, Yan-Hong; Du, Xiao-Di; Zuo, Jing-Lin; You, Xiao-Zeng","Hydrothermal syntheses and structures of three novel coordination polymers assembled from 1,2,3-triazolate ligands","CrystEngComm","2009","11","9","1964","","10.1039/b819302a","","","0.71073","MoKα","","0.0851","0.0589","","","0.1096","0.1185","","","","","","1.056","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200630","12.4","0.003","7.8407","0.0019","8.385","0.002","90","","108.177","0.004","90","","774.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(cyclopropylammonium)tetrabromoplumbate(ii)","bis(cyclopropylammonium)tetrabromoplumbate(II)","","- C6 H16 Br4 N2 Pb -","- C6 H16 Br4 N2 Pb -","- C12 H32 Br8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.0572","0.045","","","0.1128","0.1206","","","","","","1.045","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200631","13.278","0.003","7.9463","0.0018","8.4703","0.0019","90","","108.43","0.004","90","","847.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(cyclobutylammonium)tetrabromoplumbate(ii)","bis(cyclobutylammonium)tetrabromoplumbate(II)","","- C8 H20 Br4 N2 Pb -","- C8 H20 Br4 N2 Pb -","- C16 H40 Br8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.06","0.0374","","","0.082","0.0875","","","","","","0.964","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200632","13.429","0.003","7.9862","0.0019","8.8","0.002","90","","106.163","0.004","90","","906.5","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(cyclopentylammonium)tetrabromoplumbate(ii)","bis(cyclopentylammonium)tetrabromoplumbate(II)","","- C10 H24 Br4 N2 Pb -","- C10 H24 Br4 N2 Pb -","- C20 H48 Br8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.0459","0.0409","","","0.1109","0.1146","","","","","","1.07","","","","has coordinates,has disorder","180337","2020-10-21","18:00:00",""
"7200633","27.788","0.005","8.6541","0.0014","8.2367","0.0013","90","","90","","90","","1980.8","0.6","173","2","173","2","","","","","","","","5","C m c 21","C 2c -2","36","bis(cyclohexylammonium)tetrabromoplumbate(ii)","bis(cyclohexylammonium)tetrabromoplumbate(II)","","- C12 H28 Br4 N2 Pb -","- C12 H28 Br4 N2 Pb -","- C48 H112 Br16 N8 Pb4 -","4","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.041","0.036","","","0.0892","0.0922","","","","","","1.028","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200634","8.0888","0.0004","27.1707","0.0015","28.9932","0.0016","90","","90","","90","","6372.1","0.6","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","tris(cycloheptylammonium)pentabromoplumbate(ii)","tris(cycloheptylammonium)pentabromoplumbate(II)","","- C21 H50 Br5 N3 O Pb -","- C21 H50 Br5 N3 O Pb -","- C168 H400 Br40 N24 O8 Pb8 -","8","1","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.1636","0.1401","","","0.2619","0.27","","","","","","1.332","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200635","11.7861","0.0011","16.0354","0.0016","31.135","0.003","92.891","0.004","96.42","0.004","100.267","0.004","5738.9","1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","dekakis(cyclooctylammonium)octadecabromotetraplumbate(ii)","dekakis(cyclooctylammonium)octadecabromotetraplumbate(II)","","- C80 H180 Br18 N10 Pb4 -","- C80 H180 Br18 N10 Pb4 -","- C160 H360 Br36 N20 Pb8 -","2","1","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.1058","0.0539","","","0.123","0.1393","","","","","","0.999","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200636","12.187","0.005","7.508","0.003","8.054","0.003","90","","109.141","0.006","90","","696.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(cyclopropylammonium)tetrachloroplumbate(ii)","bis(cyclopropylammonium)tetrachloroplumbate(II)","","- C6 H16 Cl4 N2 Pb -","- C6 H16 Cl4 N2 Pb -","- C12 H32 Cl8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.0377","0.0308","","","0.0881","0.0914","","","","","","1.132","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200637","13.219","0.005","7.618","0.003","8.093","0.003","90","","106.828","0.007","90","","780.1","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bis(cyclobutylammonium)tetrachloroplumbate(ii)","bis(cyclobutylammonium)tetrachloroplumbate(II)","","- C8 H20 Cl4 N2 Pb -","- C8 H20 Cl4 N2 Pb -","- C16 H40 Cl8 N4 Pb2 -","2","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.0817","0.0771","","","0.1927","0.1942","","","","","","1.491","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200638","25.842","0.001","8.5174","0.0003","7.6956","0.0003","90","","90","","90","","1693.85","0.11","293","2","293","2","","","","","","","","5","C m c a","-C 2ac 2","64","bis(cyclopentylammonium)tetrachloroplumbate(ii)","bis(cyclopentylammonium)tetrachloroplumbate(II)","","- C10 H24 Cl4 N2 Pb -","- C10 H24 Cl4 N2 Pb -","- C40 H96 Cl16 N8 Pb4 -","4","","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.0522","0.0411","","","0.1052","0.1127","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200639","11.4446","0.0011","28.306","0.003","11.5206","0.001","90","","90.031","0.006","90","","3732.1","0.6","173","2","173","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","bis(cyclohexylammonium)tetrachloroplumbate(ii)","bis(cyclohexylammonium)tetrachloroplumbate(II)","","- C24 H56 Cl8 N4 Pb2 -","- C24 H56 Cl8 N4 Pb2 -","- C96 H224 Cl32 N16 Pb8 -","4","1","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.0377","0.032","","","0.0747","0.0767","","","","","","1.153","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200640","12.7667","0.0015","46.043","0.005","14.9592","0.0015","90","","94.385","0.005","90","","8767.5","1.7","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","heptadecakis(cycloheptylammonium)hentriacontachloroheptaplumba te(ii) dihydrate","heptadecakis(cycloheptylammonium)hentriacontachloroheptaplumbate(II) dihydrate","","- C119 H276 Cl31 N17 O2 Pb7 -","- C119 H276 Cl31 N17 O2 Pb7 -","- C238 H552 Cl62 N34 O4 Pb14 -","2","1","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.0684","0.0457","","","0.0983","0.1069","","","","","","0.933","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200641","17.365","0.003","19.016","0.004","19.357","0.004","63.476","0.003","70.493","0.004","88.146","0.004","5339","1.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","octadecakis(cyclooctylammonium)tetracontachloroundecaplumbate( ii)","octadecakis(cyclooctylammonium)tetracontachloroundecaplumbate(II)","","- C144 H324 Cl40 N18 Pb11 -","- C144 H324 Cl40 N18 Pb11 -","- C144 H324 Cl40 N18 Pb11 -","1","0.5","","Billing, David G.; Lemmerer, Andreas","Inorganic‒organic hybrid materials incorporating primary cyclic ammonium cations: The lead bromide and chloride series","CrystEngComm","2009","11","8","1549","","10.1039/b819455f","","","0.71073","MoKα","","0.0906","0.0581","","","0.1429","0.1669","","","","","","1.034","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200644","6.9007","0.0001","7.4722","0.0001","8.2521","0.0002","90.227","0.001","108.67","0.001","93.332","0.001","402.319","0.013","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 Mg2 O14 -","- C10 H14 Mg2 O14 -","- C10 H14 Mg2 O14 -","1","0.5","","Liu, Hsin-Kuan; Tsao, Tai-Hsing; Zhang, Ya-Ting; Lin, Chia-Her","Microwave synthesis and single-crystal-to-single-crystal transformation of magnesium coordination polymers exhibiting selective gas adsorption and luminescence properties","CrystEngComm","2009","11","7","1462","","10.1039/b819559e","","","0.71073","MoKα","","0.0503","0.0374","","","0.1172","0.1228","","","","","","1.064","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200645","10.3976","0.0011","14.2349","0.0017","17.49","0.002","75.88","0.003","74.787","0.003","84.955","0.004","2421.7","0.5","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H25 Mg7.5 O40 -","- C40 H25 Mg7.5 O40 -","- C80 H50 Mg15 O80 -","2","1","","Liu, Hsin-Kuan; Tsao, Tai-Hsing; Zhang, Ya-Ting; Lin, Chia-Her","Microwave synthesis and single-crystal-to-single-crystal transformation of magnesium coordination polymers exhibiting selective gas adsorption and luminescence properties","CrystEngComm","2009","11","7","1462","","10.1039/b819559e","","","0.71073","MoKα","","0.2205","0.1443","","","0.3676","0.4162","","","","","","1.083","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200646","5.9502","0.0002","7.4323","0.0002","8.9898","0.0003","104.787","0.002","106.197","0.002","97.59","0.002","360.18","0.02","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H14 Mg2 O14 -","- C10 H14 Mg2 O14 -","- C10 H14 Mg2 O14 -","1","0.5","","Liu, Hsin-Kuan; Tsao, Tai-Hsing; Zhang, Ya-Ting; Lin, Chia-Her","Microwave synthesis and single-crystal-to-single-crystal transformation of magnesium coordination polymers exhibiting selective gas adsorption and luminescence properties","CrystEngComm","2009","11","7","1462","","10.1039/b819559e","","","0.71073","MoKα","","0.0394","0.0332","","","0.1034","0.1068","","","","","","1.006","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200647","5.0655","0.0002","14.4318","0.0005","11.3303","0.0004","90","","99.255","0.002","90","","817.51","0.05","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H18 Mg2 O16 -","- C10 H18 Mg2 O16 -","- C20 H36 Mg4 O32 -","2","0.5","","Liu, Hsin-Kuan; Tsao, Tai-Hsing; Zhang, Ya-Ting; Lin, Chia-Her","Microwave synthesis and single-crystal-to-single-crystal transformation of magnesium coordination polymers exhibiting selective gas adsorption and luminescence properties","CrystEngComm","2009","11","7","1462","","10.1039/b819559e","","","0.71073","MoKα","","0.0795","0.0447","","","0.0979","0.1396","","","","","","0.98","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200648","11.382","0.003","11.755","0.002","12.48","0.003","90.289","0.016","107.61","0.02","105.634","0.019","1525.8","0.7","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H34 Cd2 Cl6 I4 N8 O8 -","- C54 H34 Cd2 Cl6 I4 N8 O8 -","- C54 H34 Cd2 Cl6 I4 N8 O8 -","1","0.5","","Deng, Hai-Ying; He, Jian-Rong; Pan, Mei; Li, Lei; Su, Cheng-Yong","Synergistic metal and anion effects on the formation of coordination assemblies from a N,N′-bis(3-pyridylmethyl)naphthalene diimide ligand","CrystEngComm","2009","11","5","909","","10.1039/b819608g","","","0.71073","MoKα","","0.0865","0.0501","","","0.1448","0.1774","","","","","","1.032","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200649","23.9714","0.0012","5.1891","0.0002","19.0506","0.0008","90","","106.86","0.003","90","","2267.85","0.18","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H16 Cl2 Hg N4 O4 -","- C26 H16 Cl2 Hg N4 O4 -","- C104 H64 Cl8 Hg4 N16 O16 -","4","0.5","","Deng, Hai-Ying; He, Jian-Rong; Pan, Mei; Li, Lei; Su, Cheng-Yong","Synergistic metal and anion effects on the formation of coordination assemblies from a N,N′-bis(3-pyridylmethyl)naphthalene diimide ligand","CrystEngComm","2009","11","5","909","","10.1039/b819608g","","","0.71073","MoKα","","0.1078","0.0972","","","0.2304","0.2393","","","","","","1.048","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200650","13.3355","0.0017","19.351","0.003","8.9028","0.0012","90","","102.693","0.003","90","","2241.3","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H32 N10 O8 S2 Zn -","- C54 H32 N10 O8 S2 Zn -","- C108 H64 N20 O16 S4 Zn2 -","2","0.5","","Deng, Hai-Ying; He, Jian-Rong; Pan, Mei; Li, Lei; Su, Cheng-Yong","Synergistic metal and anion effects on the formation of coordination assemblies from a N,N′-bis(3-pyridylmethyl)naphthalene diimide ligand","CrystEngComm","2009","11","5","909","","10.1039/b819608g","","","0.71073","MoKα","","0.074","0.0467","","","0.1324","0.1548","","","","","","1.041","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200651","9.1325","0.0012","9.181","0.0012","13.3784","0.0017","84.447","0.002","83.507","0.002","86.195","0.002","1107.5","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H32 Cd N10 O14 -","- C52 H32 Cd N10 O14 -","- C52 H32 Cd N10 O14 -","1","0.5","","Deng, Hai-Ying; He, Jian-Rong; Pan, Mei; Li, Lei; Su, Cheng-Yong","Synergistic metal and anion effects on the formation of coordination assemblies from a N,N′-bis(3-pyridylmethyl)naphthalene diimide ligand","CrystEngComm","2009","11","5","909","","10.1039/b819608g","","","0.71073","MoKα","","0.0457","0.0378","","","0.0999","0.1056","","","","","","1.087","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200652","17.462","","14.342","","15.258","","90","","99.41","","90","","3769.79","","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H30 Co N8 O13 -","- C41 H24 Co N8 O13 -","- C164 H96 Co4 N32 O52 -","4","1","","Deng, Hai-Ying; He, Jian-Rong; Pan, Mei; Li, Lei; Su, Cheng-Yong","Synergistic metal and anion effects on the formation of coordination assemblies from a N,N′-bis(3-pyridylmethyl)naphthalene diimide ligand","CrystEngComm","2009","11","5","909","","10.1039/b819608g","","","0.71073","MoKα","","0.1026","0.0631","","","0.1676","0.1961","","","","","","1.024","","","","has coordinates,has disorder","180337","2020-10-21","18:00:00",""
"7200653","8.1802","0.0009","21.293","0.002","15.2116","0.0014","90","","121.357","0.004","90","","2262.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N12 O4 Ru S -","- C18 H18 N12 O4 Ru S -","- C72 H72 N48 O16 Ru4 S4 -","4","1","","Yang, Li-Fei; Cao, Man-Li; Mo, Hao-Jun; Hao, Hong-Guo; Wu, Jin-Ji; Zhang, Jie-Peng; Ye, Bao-Hui","pH-Dependent formation of (6,3) and (10,3) hydrogen-bonded networks based on [Ru(H2biim)3]SO4: polymorphs and topological isomers","CrystEngComm","2009","11","6","1114","","10.1039/b819646j","","","0.71073","MoKα","","0.0463","0.0392","","","0.0969","0.1015","","","","","","1.017","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200654","12.6267","0.001","12.6267","0.001","14.244","0.002","90","","90","","90","","2271","0.4","293","2","293","2","","","","","","","","6","I 41","I 4bw","80","","","","- C18 H18 N12 O4 Ru S -","- C18 H18 N12 O4 Ru S -","- C72 H72 N48 O16 Ru4 S4 -","4","0.5","","Yang, Li-Fei; Cao, Man-Li; Mo, Hao-Jun; Hao, Hong-Guo; Wu, Jin-Ji; Zhang, Jie-Peng; Ye, Bao-Hui","pH-Dependent formation of (6,3) and (10,3) hydrogen-bonded networks based on [Ru(H2biim)3]SO4: polymorphs and topological isomers","CrystEngComm","2009","11","6","1114","","10.1039/b819646j","","","0.71073","MoKα","","0.0789","0.0782","","","0.2459","0.2472","","","","","","1.026","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200655","11.641","0.001","11.641","0.001","18.756","0.002","90","","90","","120","","2201.2","0.4","298","2","298","2","","","","","","","","5","P 64 2 2","P 64 2 (0 0 2)","181","tetraaquacobalt(II)-4,4'-bipyridine barbiturate hexahydrate","tetraaquacobalt(II)-4,4'-bipyridine barbiturate hexahydrate","","- C18 H34 Co N6 O16 -","- C18 H34 Co N6 O16 -","- C54 H102 Co3 N18 O48 -","3","0.25","","Garcia, Humberto C.; Diniz, Renata; Yoshida, Maria I.; de Oliveira, Luiz Fernando C.","An intriguing hydrogen bond arrangement of polymeric 1D chains of 4,4′-bipyridine coordinated to Co2+, Ni2+, Cu2+ and Zn2+ ions having barbiturate as counterions in a 3D network","CrystEngComm","2009","11","5","881","","10.1039/b819693a","","","0.71073","MoKα","","0.0468","0.0326","","","0.0714","0.0771","","","","","","1.112","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200656","11.453","0.002","11.453","0.002","36.912","0.004","90","","90","","120","","4193.1","1.1","298","2","298","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","tetraaquanickel(II)-4,4'-bipyridine barbiturate hexahydrate","tetraaquanickel(II)-4,4'-bipyridine barbiturate hexahydrate","","- C18 H34 N6 Ni O16 -","- C18 H34 N6 Ni O16 -","- C108 H204 N36 Ni6 O96 -","6","0.5","","Garcia, Humberto C.; Diniz, Renata; Yoshida, Maria I.; de Oliveira, Luiz Fernando C.","An intriguing hydrogen bond arrangement of polymeric 1D chains of 4,4′-bipyridine coordinated to Co2+, Ni2+, Cu2+ and Zn2+ ions having barbiturate as counterions in a 3D network","CrystEngComm","2009","11","5","881","","10.1039/b819693a","","","0.71073","MoKα","","0.0773","0.0512","","","0.115","0.1284","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200657","11.467","0.002","11.467","0.002","36.974","0.003","90","","90","","120","","4210.4","1.1","298","2","298","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","tetraaquacopper(II)-4,4'-bipyridine barbiturate hexahydrate","tetraaquacopper(II)-4,4'-bipyridine barbiturate hexahydrate","","- C18 H34 Cu N6 O16 -","- C18 H34 Cu N6 O16 -","- C108 H204 Cu6 N36 O96 -","6","0.5","","Garcia, Humberto C.; Diniz, Renata; Yoshida, Maria I.; de Oliveira, Luiz Fernando C.","An intriguing hydrogen bond arrangement of polymeric 1D chains of 4,4′-bipyridine coordinated to Co2+, Ni2+, Cu2+ and Zn2+ ions having barbiturate as counterions in a 3D network","CrystEngComm","2009","11","5","881","","10.1039/b819693a","","","0.71073","MoKα","","0.0734","0.0532","","","0.1324","0.1448","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200658","16.6814","0.001","16.6814","0.001","17.4944","0.0015","90","","90","","90","","4868.2","0.6","120","2","120","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C48 H30 N4 O11 Zn3 -","- C48 H30 N4 O11 Zn3 -","- C96 H60 N8 O22 Zn6 -","2","0.0625","","Choi, Eun-Young; Wray, Curtis A.; Hu, Chunhua; Choe, Wonyoung","Highly tunable metal‒organic frameworks with open metal centers","CrystEngComm","2009","11","4","553","","10.1039/b819707p","","","0.71073","MoKα","","0.065","0.0629","","","0.1713","0.1743","","","","","","1.149","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200659","16.694","0.001","16.694","0.001","18.5799","0.0015","90","","90","","90","","5178","0.6","296","2","296","2","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C48 H30 N4 O11 Zn3 -","- C52 H34 N4 O11 Zn3 -","- C104 H68 N8 O22 Zn6 -","2","0.0625","","Choi, Eun-Young; Wray, Curtis A.; Hu, Chunhua; Choe, Wonyoung","Highly tunable metal‒organic frameworks with open metal centers","CrystEngComm","2009","11","4","553","","10.1039/b819707p","","","0.71073","MoKα","","0.0647","0.0481","","","0.1283","0.1373","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7200660","9.4617","0.0007","10.3642","0.0008","19.7932","0.0015","91.369","0.002","94.833","0.001","101.759","0.002","1891.8","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H24 O5 -","- C20 H24 O5 -","- C80 H96 O20 -","4","2","","Jeong, Kyung Seok; Lee, Bohyung; Kim, Jaheon; Jeong, Nakcheol","Guest-dependent self-assembly of (R,R)-2,3-diphenylsuccinic acids : formation of a cyclotetrameric chiral square","CrystEngComm","2009","11","4","549","","10.1039/b819756c","","","0.71073","MoKα","","0.1154","0.0608","","","0.1377","0.1638","","","","","","1.069","","","","has coordinates,has disorder","180337","2020-10-21","18:00:00",""
"7200661","9.1569","0.0007","10.3223","0.0009","11.04","0.0009","69.817","0.001","74.207","0.002","64.677","0.001","875.72","0.12","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C40 H44 O10 -","2","1","","Jeong, Kyung Seok; Lee, Bohyung; Kim, Jaheon; Jeong, Nakcheol","Guest-dependent self-assembly of (R,R)-2,3-diphenylsuccinic acids : formation of a cyclotetrameric chiral square","CrystEngComm","2009","11","4","549","","10.1039/b819756c","","","0.71073","MoKα","","0.1637","0.0897","","","0.2391","0.32","","","","","","1.044","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200662","9.5545","0.0002","10.204","0.0002","36.9589","0.0007","90","","90","","90","","3603.28","0.12","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C160 H176 O40 -","8","2","","Jeong, Kyung Seok; Lee, Bohyung; Kim, Jaheon; Jeong, Nakcheol","Guest-dependent self-assembly of (R,R)-2,3-diphenylsuccinic acids : formation of a cyclotetrameric chiral square","CrystEngComm","2009","11","4","549","","10.1039/b819756c","","","0.71073","MoKα","","0.0955","0.0578","","","0.1219","0.1459","","","","","","1.037","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200663","16.249","0.006","16.249","0.006","22.54","0.01","90","","90","","90","","5951","4","173","2","173","2","","","","","","","","3","P 41","P 4w","76","","","","- C68 H66 O17 -","- C68 H66 O17 -","- C272 H264 O68 -","4","1","","Jeong, Kyung Seok; Lee, Bohyung; Kim, Jaheon; Jeong, Nakcheol","Guest-dependent self-assembly of (R,R)-2,3-diphenylsuccinic acids : formation of a cyclotetrameric chiral square","CrystEngComm","2009","11","4","549","","10.1039/b819756c","","","0.71073","MoKα","","0.1952","0.1143","","","0.2863","0.3441","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200664","16.389","0.0003","16.389","0.0003","11.3011","0.0003","90","","90","","90","","3035.47","0.11","298","2","298","2","","","","","","","","3","I 4","I 4","79","","","","- C68 H64 O17 -","- C68 H56 O17 -","- C136 H112 O34 -","2","0.25","","Jeong, Kyung Seok; Lee, Bohyung; Kim, Jaheon; Jeong, Nakcheol","Guest-dependent self-assembly of (R,R)-2,3-diphenylsuccinic acids : formation of a cyclotetrameric chiral square","CrystEngComm","2009","11","4","549","","10.1039/b819756c","","","0.71073","MoKα","","0.1193","0.0525","","","0.1363","0.1693","","","","","","0.983","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200665","9.8996","0.0002","20.2275","0.0003","13.481","0.0002","90","","110.247","0.001","90","","2532.69","0.08","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N6 O6 Zn -","- C26 H20 N6 O6 Zn -","- C104 H80 N24 O24 Zn4 -","4","1","","Lin, Xiao-Ming; Fang, Hua-Cai; Zhou, Zheng-Yuan; Chen, Li; Zhao, Jing-Wei; Zhu, Shi-Zheng; Cai, Yue-Peng","Temperature- and solvent-controlled dimensionality in a zinc 6-(1H-benzoimidazol-2-yl)pyridinecarboxylate system","CrystEngComm","2009","11","5","847","","10.1039/b819800d","","","0.71073","MoKα","","0.0614","0.0471","","","0.133","0.1437","","","","","","1.076","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200666","10.5099","0.0001","7.3428","0.0001","20.1198","0.0003","90","","102.887","0.001","90","","1513.58","0.03","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N3 O6 Zn -","- C14 H13 N3 O6 Zn -","- C56 H52 N12 O24 Zn4 -","4","1","","Lin, Xiao-Ming; Fang, Hua-Cai; Zhou, Zheng-Yuan; Chen, Li; Zhao, Jing-Wei; Zhu, Shi-Zheng; Cai, Yue-Peng","Temperature- and solvent-controlled dimensionality in a zinc 6-(1H-benzoimidazol-2-yl)pyridinecarboxylate system","CrystEngComm","2009","11","5","847","","10.1039/b819800d","","","0.71073","MoKα","","0.0347","0.0303","","","0.0803","0.0831","","","","","","1.048","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200667","12.917","0.0008","7.3303","0.0005","20.6012","0.0013","90","","98.3","0.001","90","","1930.2","0.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cl N3 O8 S Zn -","- C15 H16 Cl N3 O8 S Zn -","- C60 H64 Cl4 N12 O32 S4 Zn4 -","4","1","","Lin, Xiao-Ming; Fang, Hua-Cai; Zhou, Zheng-Yuan; Chen, Li; Zhao, Jing-Wei; Zhu, Shi-Zheng; Cai, Yue-Peng","Temperature- and solvent-controlled dimensionality in a zinc 6-(1H-benzoimidazol-2-yl)pyridinecarboxylate system","CrystEngComm","2009","11","5","847","","10.1039/b819800d","","","0.71073","MoKα","","0.0529","0.0422","","","0.1127","0.1205","","","","","","1.044","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200668","3.9045","0.001","15.876","0.004","19.915","0.005","90","","100.596","0.006","90","","1213.4","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H32 Br8 Cu8 N8 -","- C40 H32 Br8 Cu8 N8 -","- C40 H32 Br8 Cu8 N8 -","1","0.25","","Liu, Zhi-Fang; Zhu, Ai-Xin; Lam, Chi-Keung; Xie, Guang-Wei; Liang, Chao-Lun; Chen, Xiao-Ming; Qiao, Zheng-Ping","Oriented growth of a single crystalline Cu(111) flake synthesized by pyrolysis of coordination polymer [(CuBr)2(bpy)]n (bpy = 2,2′-bipyridine)","CrystEngComm","2009","11","7","1303","","10.1039/b819813f","","","0.71073","MoKα","","0.0583","0.0371","","","0.1053","0.1289","","","","","","0.826","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200669","7.3916","0.0002","28.455","0.001","12.1415","0.0003","90","","93.905","0.002","90","","2547.77","0.13","223","","223","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Br Cl3 N3 O4 -","- C21 H25 Br Cl3 N3 O4 -","- C84 H100 Br4 Cl12 N12 O16 -","4","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Phase-separated hydrogen-bonded chloride ion‒water‒oxonium ion sheets and protonated 4′-(4-bromophenyl)-2,2′:6′,2″-terpyridine stacks, and condensation products of 2-acetylpyridine and benzaldehydes revisited","CrystEngComm","2009","11","6","1014","","10.1039/b819927b","","","0.71073","MoKα","","0.064","0.0289","","0.0636","0.0311","0.0311","","","","","","1.0614","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200670","16.8561","0.0004","53.1999","0.0016","15.49","0.0005","90","","90","","90","","13890.5","0.7","223","","223","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C36 H28 Br2 Cl3 N3 O3 -","- C36 H28 Br2 Cl3 N3 O3 -","- C576 H448 Br32 Cl48 N48 O48 -","16","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Phase-separated hydrogen-bonded chloride ion‒water‒oxonium ion sheets and protonated 4′-(4-bromophenyl)-2,2′:6′,2″-terpyridine stacks, and condensation products of 2-acetylpyridine and benzaldehydes revisited","CrystEngComm","2009","11","6","1014","","10.1039/b819927b","","","0.71073","MoKα","","0.0428","0.0324","","0.0308","0.0278","0.0267","","","","","","1.0671","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200671","9.8089","0.0004","11.1946","0.0004","14.5862","0.0006","71.544","0.002","88.809","0.002","80.093","0.002","1495.66","0.1","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H27 N5 O3 -","- C37 H27 N5 O3 -","- C74 H54 N10 O6 -","2","1","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Schaffner, Silvia","Phase-separated hydrogen-bonded chloride ion‒water‒oxonium ion sheets and protonated 4′-(4-bromophenyl)-2,2′:6′,2″-terpyridine stacks, and condensation products of 2-acetylpyridine and benzaldehydes revisited","CrystEngComm","2009","11","6","1014","","10.1039/b819927b","","","0.71073","MoKα","","0.0597","0.0418","","0.069","0.0495","0.0495","","","","","","1.0914","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200672","5.768","0.001","6.078","0.001","8.08","0.002","90","","107.01","0.03","90","","270.88","0.1","296","2","296","2","1030000","50000","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2-dibromo-1,1,2,2-tetrafluoroethane","1,2-dibromo-1,1,2,2-tetrafluoroethane","","- C2 Br2 F4 -","- C2 Br2 F4 -","- C4 Br4 F8 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani","Weak intermolecular interactions and molecular aggregation in isostructural dihaloperfluoroethanes,","CrystEngComm","2009","11","6","1073","","10.1039/b819942f","","","0.71073","MoKα","","0.0564","0.0495","","","0.1138","0.118","","","","","","1.139","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200673","6.1357","0.0012","6.1449","0.0012","8.3967","0.0017","90","","108.3","0.03","90","","300.57","0.12","296","2","296","2","600000","50000","","","","","","4","P 1 21/n 1","-P 2yn","14","1-bromo-2-iodo-1,1,2,2-tetrafluoroethane","1-bromo-2-iodo-1,1,2,2-tetrafluoroethane","","- C2 Br F4 I -","- C2 Br F4 I -","- C4 Br2 F8 I2 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani","Weak intermolecular interactions and molecular aggregation in isostructural dihaloperfluoroethanes,","CrystEngComm","2009","11","6","1073","","10.1039/b819942f","","","0.71073","MoKα","","0.124","0.1166","","","0.267","0.2734","","","","","","1.082","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200674","5.9698","0.0012","6.1503","0.0012","8.236","0.0016","90","","108.58","0.03","90","","286.63","0.11","296","2","296","2","1100000","50000","","","","","","4","P 1 21/n 1","-P 2yn","14","1-bromo-2-iodo-1,1,2,2-tetrafluoroethane","1-bromo-2-iodo-1,1,2,2-tetrafluoroethane","","- C2 Br F4 I -","- C2 Br F4 I -","- C4 Br2 F8 I2 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani","Weak intermolecular interactions and molecular aggregation in isostructural dihaloperfluoroethanes,","CrystEngComm","2009","11","6","1073","","10.1039/b819942f","","","0.71073","MoKα","","0.0722","0.0618","","","0.1153","0.1234","","","","","","1.192","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200675","5.7683","0.0012","6.0823","0.0012","8.0112","0.0016","90","","109.92","0.03","90","","264.25","0.11","296","2","296","2","3500000","50000","","","","","","4","P 1 21/n 1","-P 2yn","14","1-bromo-2-iodo-1,1,2,2-tetrafluoroethane","1-bromo-2-iodo-1,1,2,2-tetrafluoroethane","","- C2 Br F4 I -","- C2 Br F4 I -","- C4 Br2 F8 I2 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani","Weak intermolecular interactions and molecular aggregation in isostructural dihaloperfluoroethanes,","CrystEngComm","2009","11","6","1073","","10.1039/b819942f","","","0.71073","MoKα","","0.0692","0.0596","","","0.1762","0.1991","","","","","","1.171","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200676","6.563","0.002","6.293","0.004","8.935","0.006","90","","106.47","0.05","90","","353.9","0.4","296","2","296","2","160000","50000","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2-diiodo-1,1,2,2-tetrafluoroethane","1,2-diiodo-1,1,2,2-tetrafluoroethane","","- C2 F4 I2 -","- C1.98 F3.96 I2 -","- C3.96 F7.92 I4 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani","Weak intermolecular interactions and molecular aggregation in isostructural dihaloperfluoroethanes,","CrystEngComm","2009","11","6","1073","","10.1039/b819942f","","","0.71073","MoKα","","0.0844","0.0569","","","0.1304","0.1446","","","","","","1.238","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200677","6.4133","0.0013","5.935","0.0012","8.4792","0.0017","90","","103.68","0.03","90","","313.59","0.12","296","2","296","2","860000","50000","","","","","","3","P 1 21/n 1","-P 2yn","14","1,2-diiodo-1,1,2,2-tetrafluoroethane","1,2-diiodo-1,1,2,2-tetrafluoroethane","","- C2 F4 I2 -","- C2 F4 I2 -","- C4 F8 I4 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani","Weak intermolecular interactions and molecular aggregation in isostructural dihaloperfluoroethanes,","CrystEngComm","2009","11","6","1073","","10.1039/b819942f","","","0.71073","MoKα","","0.1335","0.1302","","","0.3029","0.3107","","","","","","1.429","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200678","12.9207","0.0003","12.9207","0.0003","19.932","0.001","90","","90","","120","","2881.73","0.17","100","2","100","2","","","","","","","","6","P 32 2 1","P 32 2""","154","","","","- C40 H40 Cl2 Cu N8 O6 -","- C40 H40 Cl2 Cu N8 O6 -","- C120 H120 Cl6 Cu3 N24 O18 -","3","0.5","","Banerjee, Subhabrata; Adarsh, N. N.; Dastidar, Parthasarathi","An unprecedented all helical 3D network and a rarely observed non-interpenetrated octahedral network in homochiral Cu(II) MOFs: effect of steric bulk and π‒π stacking interactions of the ligand backbone","CrystEngComm","2009","11","5","746","","10.1039/b820087b","","","0.71073","MoKα","","0.0403","0.0332","","","0.0787","0.0817","","","","","","1.042","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200679","13.266","0.004","13.266","0.004","5.3885","0.0017","90","","90","","90","","948.3","0.5","100","2","100","2","","","","","","","","6","P 4","P 4","75","","","","- C28 H28 Cl Cu N8 O4 -","- C28 H16 Cl Cu N8 O4 -","- C28 H16 Cl Cu N8 O4 -","1","0.25","","Banerjee, Subhabrata; Adarsh, N. N.; Dastidar, Parthasarathi","An unprecedented all helical 3D network and a rarely observed non-interpenetrated octahedral network in homochiral Cu(II) MOFs: effect of steric bulk and π‒π stacking interactions of the ligand backbone","CrystEngComm","2009","11","5","746","","10.1039/b820087b","","","0.71073","MoKα","","0.0896","0.0869","","","0.231","0.2339","","","","","","1.104","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200680","14.1105","0.0008","18.4033","0.001","21.9209","0.0013","90","","100.058","0.001","90","","5604.9","0.6","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C124 H324 Br12 Cl12 Cu16 N48 O70 -","- C124 H324 Br12 Cl12 Cu16 N48 O70 -","- C124 H324 Br12 Cl12 Cu16 N48 O70 -","1","0.25","","Zhou, Hong; Chen, Lei; Chen, Rong; Peng, Zheng-He; Song, You; Pan, Zhi-Quan; Huang, Qi-Mao; Hu, Xue-Lei; Bai, Zheng-Wu","Hexamine copper(II) coordination polymers: synthesis, structure and magnetic properties","CrystEngComm","2009","11","4","671","","10.1039/b820108k","","","0.71073","MoKα","","0.0872","0.0619","","","0.1234","0.1289","","","","","","1.052","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200681","11.1759","0.0007","8.5562","0.0005","23.4528","0.0014","90","","90","","90","","2242.6","0.2","291","2","291","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H64 Cl8 Cu4 N12 O10 -","- C22 H64 Cl8 Cu4 N12 O10 -","- C44 H128 Cl16 Cu8 N24 O20 -","2","0.25","","Zhou, Hong; Chen, Lei; Chen, Rong; Peng, Zheng-He; Song, You; Pan, Zhi-Quan; Huang, Qi-Mao; Hu, Xue-Lei; Bai, Zheng-Wu","Hexamine copper(II) coordination polymers: synthesis, structure and magnetic properties","CrystEngComm","2009","11","4","671","","10.1039/b820108k","","","0.71073","MoKα","","0.0518","0.0423","","","0.1072","0.1104","","","","","","1.067","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7200682","6.8456","0.0006","12.0195","0.0011","14.695","0.0014","90","","98.473","0.002","90","","1195.92","0.19","292","2","292","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H16 Cl2 Cu N3 O4 -","- C6 H16 Cl2 Cu N3 O4 -","- C24 H64 Cl8 Cu4 N12 O16 -","4","1","","Zhou, Hong; Chen, Lei; Chen, Rong; Peng, Zheng-He; Song, You; Pan, Zhi-Quan; Huang, Qi-Mao; Hu, Xue-Lei; Bai, Zheng-Wu","Hexamine copper(II) coordination polymers: synthesis, structure and magnetic properties","CrystEngComm","2009","11","4","671","","10.1039/b820108k","","","0.71073","MoKα","","0.0405","0.0336","","","0.0843","0.0878","","","","","","1.081","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7200683","7.145","0.0014","13.486","0.003","14.077","0.003","90","","98.77","0.02","90","","1340.6","0.5","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H18 Cl2 Cu N3 O4 -","- C7 H18 Cl2 Cu N3 O4 -","- C28 H72 Cl8 Cu4 N12 O16 -","4","1","","Zhou, Hong; Chen, Lei; Chen, Rong; Peng, Zheng-He; Song, You; Pan, Zhi-Quan; Huang, Qi-Mao; Hu, Xue-Lei; Bai, Zheng-Wu","Hexamine copper(II) coordination polymers: synthesis, structure and magnetic properties","CrystEngComm","2009","11","4","671","","10.1039/b820108k","","","0.71073","MoKα","","0.09","0.0569","","","0.0943","0.0976","","","","","","1.086","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200691","6.491","0.002","9.599","0.003","19.397","0.006","90","","96.001","0.005","90","","1201.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Manganese Carboxylate","","","- C12 H10 Mn N2 O7 -","- C12 H10 Mn N2 O7 -","- C48 H40 Mn4 N8 O28 -","4","1","","Mahata, Partha; Natarajan, Srinivasan","The first observation of a Na2TiS2 related structure in a 2-D anionic manganese trimesate intercalated by cationic imidazole,","CrystEngComm","2009","11","4","560","","10.1039/b820248f","","","0.71073","MoKα","","0.0302","0.0274","","","0.0745","0.0763","","","","","","1.094","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200692","15.8892","0.0004","12.0225","0.0004","13.5325","0.0004","90","","90.711","0.002","90","","2584.89","0.13","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H18 B2 F8 N6 Se3 -","- C20 H18 B2 F8 N6 Se3 -","- C80 H72 B8 F32 N24 Se12 -","4","0.5","","Berionni, Guillaume; Pégot, Bruce; Marrot, Jérome; Goumont, Régis","Supramolecular association of 1,2,5-chalcogenadiazoles: an unexpected self-assembled dissymetric [Se⋯N]2 four-membered ring","CrystEngComm","2009","11","6","986","","10.1039/b820258c","","","0.71073","MoKα","","0.0655","0.0464","","","0.1501","0.1698","","","","","","1.05","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200693","21.7005","0.0009","22.9409","0.0009","24.4777","0.0009","90","","114.103","0.001","90","","11123.3","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Dy4 Ge2 H84 Na12 O118 W20 -","- Dy4 Ge2 Na11.5 O105.75 W20 -","- Dy16 Ge8 Na46 O423 W80 -","4","1","","Li, YunGao; Xu, Lin; Gao, GuangGang; Jiang, Ning; Liu, Hong; Li, FengYan; Yang, YanYan","New fabrication of lanthanide complexes based on the polyoxometalate ligand of the [α(1,4)-GeW10O38]12− anion","CrystEngComm","2009","11","8","1512","","10.1039/b820269a","","","0.71073","MoKα","","0.0954","0.0524","","","0.1268","0.1568","","","","","","1.011","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200694","21.6734","0.0009","22.902","0.001","24.3891","0.0011","90","","114.226","0.001","90","","11039.8","0.8","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- Er4 Ge2 H70 Na12 O111 W20 -","- Er4 Ge2 Na12 O101 W20 -","- Er16 Ge8 Na48 O404 W80 -","4","1","","Li, YunGao; Xu, Lin; Gao, GuangGang; Jiang, Ning; Liu, Hong; Li, FengYan; Yang, YanYan","New fabrication of lanthanide complexes based on the polyoxometalate ligand of the [α(1,4)-GeW10O38]12− anion","CrystEngComm","2009","11","8","1512","","10.1039/b820269a","","","0.71073","MoKα","","0.0826","0.0482","","","0.1174","0.1338","","","","","","1.047","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200698","14.647","0.0004","29.317","0.0009","16.7807","0.0005","90","","102.287","0.001","90","","7040.7","0.4","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C48 H34 Cl2 Co2 Cu9 I11 N8 O -","- C48 H32 Cl2 Co2 Cu9 I11 N8 O -","- C192 H128 Cl8 Co8 Cu36 I44 N32 O4 -","4","1","","Li, Qiuyan; Fu, Yunlong","A layered iodocuprate based on a 3D cationic supramolecular network of dimeric Co(ii) complexes by offset face-to-face interactions","CrystEngComm","2009","11","8","1515","","10.1039/b820391a","","","0.71073","MoKα","","0.0911","0.0646","","","0.1862","0.2098","","","","","","1.011","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200699","7.9666","0.0016","4.8702","0.001","21.351","0.004","90","","90","","90","","828.4","0.3","180","0.1","295","2","","","100","","","","","4","P n a 21","P 2c -2n","33","chloroiodomethane","chloroiodomethane","","- C H2 Cl I -","- C H2 Cl I -","- C8 H16 Cl8 I8 -","8","2","","Podsiadło, Marcin; Katrusiak, Andrzej","Electrostatic matching in phase IV of chloroiodomethane: a new aggregation pattern in the isostructural classes of dihalomethanes","CrystEngComm","2009","11","7","1391","","10.1039/b820422e","","","0.71073","MoKα","","0.0597","0.0544","","","0.1431","0.153","","","","","","1.076","","","","has coordinates","180337","2020-10-21","18:00:00",""
"7200700","22.911","0.011","3.9313","0.0015","18.607","0.009","90","","119.067","0.01","90","","1464.9","1.2","293","2","293","2","","","","","","","Synthesis","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 N2 O4 -","- C16 H14 N2 O4 -","- C64 H56 N8 O16 -","4","0.5","","Avendaño, Carlos; Briceño, Alexander","Concomitant [2 + 2] cycloaddition solid state reactions from co-crystals self-assembled via mechanochemistry","CrystEngComm","2009","11","3","408","","10.1039/b820463b","","","0.71073","MoKα","","0.0888","0.0547","","","0.1326","0.1566","","","","","","1.012","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200701","19.841","0.008","11.394","0.005","14.637","0.006","90","","93.423","0.013","90","","3303","2","293","2","293","2","","","","","","","Synthesis","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 N2 O5 -","- C17 H18 N2 O5 -","- C136 H144 N16 O40 -","8","1","","Avendaño, Carlos; Briceño, Alexander","Concomitant [2 + 2] cycloaddition solid state reactions from co-crystals self-assembled via mechanochemistry","CrystEngComm","2009","11","3","408","","10.1039/b820463b","","","0.71073","MoKα","","0.1225","0.0748","","","0.1954","0.2293","","","","","","1.068","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7200702","8.0814","0.0008","10.568","0.0008","28.972","0.003","90","","104.325","0.003","90","","2397.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 N O6 Zn -","- C27 H20 N O6 Zn -","- C108 H80 N4 O24 Zn4 -","4","1","","Cao, Xin-Yi; Yao, Yuan-Gen; Batten, Stuart R.; Ma, En; Qin, Ye-Yan; Zhang, Jian; Zhang, Rui-Bo; Cheng, Jian-Kai","Unusual parallel entanglement of metal‒organic 2D frameworks with coexistence of polyrotaxane, polycatenane and interdigitation","CrystEngComm","2009","11","6","1030","","10.1039/b820600g","","","0.71073","MoKα","","0.0724","0.0558","","","0.1175","0.1274","","","","","","1.048","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200703","13.027","0.004","14.108","0.004","15.051","0.005","71.014","0.014","72.299","0.013","71.348","0.015","2415.7","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H40 N2 O12 Zn2 -","- C54 H40 N2 O12 Zn2 -","- C108 H80 N4 O24 Zn4 -","2","1","","Cao, Xin-Yi; Yao, Yuan-Gen; Batten, Stuart R.; Ma, En; Qin, Ye-Yan; Zhang, Jian; Zhang, Rui-Bo; Cheng, Jian-Kai","Unusual parallel entanglement of metal‒organic 2D frameworks with coexistence of polyrotaxane, polycatenane and interdigitation","CrystEngComm","2009","11","6","1030","","10.1039/b820600g","","","0.71073","MoKα","","0.154","0.0759","","","0.1558","0.2025","","","","","","1.016","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200704","9.6482","0.0013","20.919","0.003","24.637","0.004","93.772","0.008","94.669","0.006","96.706","0.004","4907.8","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C114 H93 N4 O24 Zn4 -","- C114 H92 N4 O24 Zn4 -","- C228 H184 N8 O48 Zn8 -","2","1","","Cao, Xin-Yi; Yao, Yuan-Gen; Batten, Stuart R.; Ma, En; Qin, Ye-Yan; Zhang, Jian; Zhang, Rui-Bo; Cheng, Jian-Kai","Unusual parallel entanglement of metal‒organic 2D frameworks with coexistence of polyrotaxane, polycatenane and interdigitation","CrystEngComm","2009","11","6","1030","","10.1039/b820600g","","","0.71073","MoKα","","0.076","0.0549","","","0.1467","0.1738","","","","","","1.019","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200705","12.9497","0.0008","41.02","0.003","8.8874","0.0005","90","","90","","90","","4721","0.5","293","2","293","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C39 H48 Cl4 N12 O4 Zn2 -","- C39 H47 Cl4 N12 O4 Zn2 -","- C156 H188 Cl16 N48 O16 Zn8 -","4","","","Liang, Jianjun; Wu, Biao; Jia, Chuandong; Yang, Xiao-Juan","Metallomacrocycle or helix: Supramolecular isomerism in bis(pyridylurea) metal complexes","CrystEngComm","2009","11","6","975","","10.1039/b820640f","","","0.71073","MoKα","","0.0891","0.0475","","","0.0968","0.1129","","","","","","1.011","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200706","12.965","0.003","40.535","0.008","8.8052","0.0018","90","","90","","90","","4627.5","1.7","293","2","293","2","","","","","","","","6","A b a 2","A 2 -2ab","41","","","","- C40 H50 Cl4 N12 O4 Zn2 -","- C40 H50 Cl4 N12 O4 Zn2 -","- C160 H200 Cl16 N48 O16 Zn8 -","4","","","Liang, Jianjun; Wu, Biao; Jia, Chuandong; Yang, Xiao-Juan","Metallomacrocycle or helix: Supramolecular isomerism in bis(pyridylurea) metal complexes","CrystEngComm","2009","11","6","975","","10.1039/b820640f","","","0.71073","MoKα","","0.1439","0.0525","","","0.1111","0.1485","","","","","","0.739","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200707","10.734","0.0011","14.3446","0.0011","13.728","0.0012","90","","104.839","0.002","90","","2043.3","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H20 Cl2 N6 O2 Zn -","- C16 H20 Cl2 N6 O2 Zn -","- C64 H80 Cl8 N24 O8 Zn4 -","4","0.5","","Liang, Jianjun; Wu, Biao; Jia, Chuandong; Yang, Xiao-Juan","Metallomacrocycle or helix: Supramolecular isomerism in bis(pyridylurea) metal complexes","CrystEngComm","2009","11","6","975","","10.1039/b820640f","","","0.71073","MoKα","","0.0393","0.0301","","","0.0745","0.0782","","","","","","1.059","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200708","8.0552","0.0016","25.966","0.005","9.888","0.002","90","","107.59","0.03","90","","1971.5","0.8","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N4 Ni O10 -","- C20 H14 N4 Ni O10 -","- C80 H56 N16 Ni4 O40 -","4","1","","Zhao, Li-Hua; Quan, Ying-Ping; Yang, Ai-Hong; Cui, Jian-Zhong; Gao, Hong-Ling; Lu, Fan-Li; Shi, Wei; Cheng, Peng","Syntheses and crystal structures of two new nickel(II) complexes with pyrazine-2,3,5,6-tetracarboxylate","CrystEngComm","2009","11","7","1427","","10.1039/b820663e","","","0.71073","MoKα","","0.0865","0.0614","","","0.1173","0.1292","","","","","","1.085","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200709","12.833","0.003","14.547","0.003","15.272","0.003","66.4","0.03","65.24","0.03","86.54","0.03","2352.6","1.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H47 N8 Ni O18.5 -","- C44 H40 N8 Ni O18.5 -","- C88 H80 N16 Ni2 O37 -","2","1","","Zhao, Li-Hua; Quan, Ying-Ping; Yang, Ai-Hong; Cui, Jian-Zhong; Gao, Hong-Ling; Lu, Fan-Li; Shi, Wei; Cheng, Peng","Syntheses and crystal structures of two new nickel(II) complexes with pyrazine-2,3,5,6-tetracarboxylate","CrystEngComm","2009","11","7","1427","","10.1039/b820663e","","","0.71073","MoKα","","0.0926","0.0663","","","0.167","0.1787","","","","","","1.01","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200710","9.678","0.0012","11.9246","0.0016","22.738","0.003","90","","95.508","0.004","90","","2612","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Cu N2 O12.5 Zn -","- C26 H20 Cu N2 O12.5 Zn -","- C104 H80 Cu4 N8 O50 Zn4 -","4","1","","Feller, Russell K.; Cheetham, Anthony K.","Structural and chemical complexity in multicomponent inorganic‒organic framework materials","CrystEngComm","2009","11","6","980","","10.1039/b820718f","","","0.71073","MoKα","","0.1284","0.0518","","","0.0998","0.1161","","","","","","0.812","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200711","10.871","0.004","16.511","0.006","11.097","0.004","90","","114.311","0.009","90","","1815.2","1.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H28 Cu2 N4 O16 Zn2 -","- C38 H28 Cu2 N4 O16 Zn2 -","- C76 H56 Cu4 N8 O32 Zn4 -","2","0.5","","Feller, Russell K.; Cheetham, Anthony K.","Structural and chemical complexity in multicomponent inorganic‒organic framework materials","CrystEngComm","2009","11","6","980","","10.1039/b820718f","","","0.71073","MoKα","","0.282","0.0689","","","0.1288","0.1747","","","","","","0.722","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200712","14.7793","0.001","12.1709","0.0008","17.6764","0.0012","90","","97.351","0.002","90","","3153.5","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Cu2 N4 O10 Zn -","- C36 H24 Cu2 N4 O10 Zn -","- C144 H96 Cu8 N16 O40 Zn4 -","4","1","","Feller, Russell K.; Cheetham, Anthony K.","Structural and chemical complexity in multicomponent inorganic‒organic framework materials","CrystEngComm","2009","11","6","980","","10.1039/b820718f","","","0.71073","MoKα","","0.0816","0.0554","","","0.1159","0.1293","","","","","","1.072","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200713","11.1545","0.001","11.845","0.0011","12.0487","0.0011","76.062","0.002","85.173","0.002","85.04","0.002","1536","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H33 O13 Zr2 -","- C27 H33 O13 Zr2 -","- C54 H66 O26 Zr4 -","2","1","","Walther, Philip; Puchberger, Michael; Kogler, F. Rene; Schwarz, Karlheinz; Schubert, Ulrich","Ligand dynamics on the surface of zirconium oxo clusters","Physical Chemistry Chemical Physics","2009","11","19","3640","3647","10.1039/b820731c","","","0.71073","MoKα","","0.0349","0.0292","","","0.0714","0.0739","","","","","","1.059","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200714","7.936","0.0004","9.834","0.0005","10.916","0.0005","93.07","0.0012","106.78","0.0013","113.561","0.0013","733.66","0.06","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","1","","Khan, Mujeeb; Enkelmann, Volker; Brunklaus, Gunther","Probing atomic level structural transformation in O‒H⋯N heterosynthon crystal","CrystEngComm","2009","11","6","1001","","10.1039/b820732a","","","0.71073","MoKα","","0.1338","0.0672","","0.0346","0.0214","0.0214","","","","","","1.1864","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200715","7.7682","0.0004","9.7938","0.0005","11.0478","0.0005","94.4493","0.0012","104.851","0.0013","111.495","0.0013","742.07","0.06","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C36 H32 N4 O4 -","2","1","","Khan, Mujeeb; Enkelmann, Volker; Brunklaus, Gunther","Probing atomic level structural transformation in O‒H⋯N heterosynthon crystal","CrystEngComm","2009","11","6","1001","","10.1039/b820732a","","","0.71073","MoKα","","0.0542","0.0528","","0.0574","0.0561","0.0561","","","","","","0.8852","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200716","7.1436","0.0006","9.8322","0.0007","15.3213","0.0013","91.708","0.01","100.589","0.01","111.088","0.009","981.55","0.16","200","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H24 Br2 N4 O4 -","- C16 H24 Br2 N4 O4 -","- C32 H48 Br4 N8 O8 -","2","1","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.042","","","","0.041","","","","","","1.7","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200717","11.6585","0.0006","18.4728","0.0014","7.1778","0.0004","90","","99.243","0.006","90","","1525.78","0.17","200","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H40 I2 N4 O4 -","- C24 H40 I2 N4 O4 -","- C48 H80 I4 N8 O8 -","2","0.5","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.03","","","","0.03","","","","","","1.32","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200718","7.2622","0.0005","8.5933","0.0006","17.3746","0.0013","91.974","0.009","98.439","0.009","106.408","0.008","1025.57","0.14","200","","","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H26 N4 O9 S -","- C16 H26 N4 O9 S -","- C32 H52 N8 O18 S2 -","2","1","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.038","","","","0.038","","","","","","1.33","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200719","5.3122","0.0002","8.5766","0.0005","23.1952","0.0011","90","","91.98","0.006","90","","1056.16","0.09","200","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 Au2 N8 -","- C20 H16 Au2 N8 -","- C40 H32 Au4 N16 -","2","0.5","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.03","","","","0.03","","","","","","1.44","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200720","7.0599","0.0011","8.7225","0.0014","8.8705","0.0015","68.766","0.018","78.791","0.019","69.544","0.018","475.61","0.15","200","","","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H24 Cl2 N4 O2 -","- C18 H24 Cl2 N4 O2 -","- C18 H24 Cl2 N4 O2 -","1","0.5","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.032","","","","0.041","","","","","","1.25","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200721","11.1842","0.0005","14.3697","0.0009","17.6521","0.0008","90","","96.482","0.005","90","","2818.8","0.3","200","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cl4 Co N4 O2 -","- C22 H31 Cl4 Co N4 O2 -","- C88 H124 Cl16 Co4 N16 O8 -","4","1","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.032","","","","0.033","","","","","","1.22","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200722","11.3088","0.0009","14.4566","0.0012","13.4445","0.0012","90","","109.661","0.009","90","","2069.9","0.3","200","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 Cl2 N4 O2 -","- C19 H26 Cl2 N4 O2 -","- C76 H104 Cl8 N16 O8 -","4","0.5","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.029","","","","0.029","","","","","","1.07","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200723","6.9279","0.0004","17.4853","0.0012","16.1931","0.0011","90","","90","","90","","1961.6","0.2","200","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H24 Cl2 N4 -","- C20 H24 Cl2 N4 -","- C80 H96 Cl8 N16 -","4","0.5","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.03","","","","0.029","","","","","","1.3","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200724","12.5425","0.001","12.2044","0.0007","13.7212","0.001","90","","106.133","0.009","90","","2017.6","0.3","200","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 N4 O5 S -","- C20 H26 N4 O5 S -","- C80 H104 N16 O20 S4 -","4","1","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.036","","","","0.036","","","","","","1.24","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200725","9.2924","0.0008","10.5151","0.0006","14.2154","0.0013","90","","98.103","0.01","90","","1375.13","0.19","200","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H40 Cl2 N4 O3 -","- C25 H36 Cl2 N4 O3 -","- C50 H72 Cl4 N8 O6 -","2","0.5","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.036","","","","0.036","","","","","","1.51","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200726","8.7775","0.0006","9.8459","0.0007","16.5945","0.0012","101.171","0.008","92.926","0.008","112.318","0.008","1289.24","0.19","200","","","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cl4 Co N4 O -","- C22 H30 Cl4 Co N4 O -","- C44 H60 Cl8 Co2 N8 O2 -","2","1","","Verdan, Simon; Melich, Xavier; Bernardinelli, Gérald; Williams, Alan F.","Molecular bricklaying II. : Anion and chain length effects in bisbenzimidazolonium salts","CrystEngComm","2009","11","7","1416","","10.1039/b820737b","","","0.71073","MoKα","","","0.027","","","","0.027","","","","","","1.3","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200727","4.943","0.002","5.902","0.002","30.706","0.012","90","","90.88","0.01","90","","895.7","0.6","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H4 F4 O2 -","- C11 H4 F4 O2 -","- C44 H16 F16 O8 -","4","1","","Cozzi, Franco; Bacchi, Sergio; Filippini, Giuseppe; Pilati, Tullio; Gavezzotti, Angelo","Competition between hydrogen bonding and arene‒perfluoroarene stacking. X-Ray diffraction and molecular simulation on 5,6,7,8-tetrafluoro-2-naphthoic acid and 5,6,7,8-tetrafluoro-2-naphthamide crystals","CrystEngComm","2009","11","6","1122","","10.1039/b820791g","","","0.71073","MoKα","","0.0794","0.0432","","","0.0836","0.094","","","","","","0.82","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200728","5.053","0.002","5.884","0.002","31.085","0.012","90","","92.83","0.01","90","","923.1","0.6","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H4 F4 O2 -","- C11 H4 F4 O2 -","- C44 H16 F16 O8 -","4","1","","Cozzi, Franco; Bacchi, Sergio; Filippini, Giuseppe; Pilati, Tullio; Gavezzotti, Angelo","Competition between hydrogen bonding and arene‒perfluoroarene stacking. X-Ray diffraction and molecular simulation on 5,6,7,8-tetrafluoro-2-naphthoic acid and 5,6,7,8-tetrafluoro-2-naphthamide crystals","CrystEngComm","2009","11","6","1122","","10.1039/b820791g","","","0.71073","MoKα","","0.0616","0.0368","","","0.0914","0.1014","","","","","","0.946","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200729","4.9553","0.001","7.3353","0.0015","13.504","0.003","96.42","0.01","97.36","0.01","100.81","0.01","473.5","0.17","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H5 F4 N O -","- C11 H5 F4 N O -","- C22 H10 F8 N2 O2 -","2","1","","Cozzi, Franco; Bacchi, Sergio; Filippini, Giuseppe; Pilati, Tullio; Gavezzotti, Angelo","Competition between hydrogen bonding and arene‒perfluoroarene stacking. X-Ray diffraction and molecular simulation on 5,6,7,8-tetrafluoro-2-naphthoic acid and 5,6,7,8-tetrafluoro-2-naphthamide crystals","CrystEngComm","2009","11","6","1122","","10.1039/b820791g","","","0.71073","MoKα","","0.0561","0.0379","","","0.097","0.1093","","","","","","1.028","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200730","4.9386","0.0014","7.25","0.002","13.21","0.004","97.63","0.01","96.44","0.01","100.47","0.01","456.5","0.2","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H5 F4 N O -","- C11 H5 F4 N O -","- C22 H10 F8 N2 O2 -","2","1","","Cozzi, Franco; Bacchi, Sergio; Filippini, Giuseppe; Pilati, Tullio; Gavezzotti, Angelo","Competition between hydrogen bonding and arene‒perfluoroarene stacking. X-Ray diffraction and molecular simulation on 5,6,7,8-tetrafluoro-2-naphthoic acid and 5,6,7,8-tetrafluoro-2-naphthamide crystals","CrystEngComm","2009","11","6","1122","","10.1039/b820791g","","","0.71073","MoKα","","0.0722","0.0489","","","0.125","0.1422","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200731","22.6828","0.001","7.4054","0.0006","10.1719","0.0008","90","","90","","90","","1708.6","0.2","123","2","123","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C24 H42 Cu3 N2 O23 -","- C24 H42 Cu3 N2 O23 -","- C48 H84 Cu6 N4 O46 -","2","0.5","","Abuhmaiera, Ramadan; Lan, Yanhua; Ako, Ayuk M.; Kostakis, George E.; Mavrandonakis, Andreas; Klopper, Wim; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K.","One-dimensional Cu(II) coordination polymers: tuning the structure by modulating the “carboxylate arm” lengths of polycarboxylate ligands","CrystEngComm","2009","11","6","1089","","10.1039/b820834d","","","0.71073","MoKα","","0.0339","0.0315","","","0.0763","0.0778","","","","","","1.009","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200732","14.3062","0.0013","7.3389","0.0007","14.963","0.0014","90","","102.636","0.007","90","","1532.9","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 Cu N2 O18 -","- C26 H40 Cu N2 O18 -","- C52 H80 Cu2 N4 O36 -","2","0.5","","Abuhmaiera, Ramadan; Lan, Yanhua; Ako, Ayuk M.; Kostakis, George E.; Mavrandonakis, Andreas; Klopper, Wim; Clérac, Rodolphe; Anson, Christopher E.; Powell, Annie K.","One-dimensional Cu(II) coordination polymers: tuning the structure by modulating the “carboxylate arm” lengths of polycarboxylate ligands","CrystEngComm","2009","11","6","1089","","10.1039/b820834d","","","0.71073","MoKα","","0.0462","0.0409","","","0.1103","0.1136","","","","","","1.047","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200733","12.8207","0.0012","13.1305","0.0014","17.407","0.002","108.61","0.007","98.928","0.007","109.55","0.006","2501.9","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- Bi2 H62 Na5 O107 Pd4.5 W22 -","- Bi2 Na1.7 O104.6 Pd4.5 W22 -","- Bi2 Na1.7 O104.6 Pd4.5 W22 -","1","0.5","","Bi, Li-Hua; Dickman, Michael H.; Kortz, Ulrich","The palladium(II)-decorated 22-tungsto-2-bismuthate(III), [Pd3(H2O)9Bi2W22O76]8−","CrystEngComm","2009","11","6","965","","10.1039/b820888c","","","0.71073","MoKα","","0.0817","0.0491","","","0.1216","0.1409","","","","","","1.071","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200734","8.999","0.005","8.614","0.005","22.506","0.013","90","","90","","90","","1744.6","1.7","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H7 Co O6 P -","- C7 H7 Co O6 P -","- C56 H56 Co8 O48 P8 -","8","1","","Li, Jin-Tang; Keene, Tony D.; Cao, Deng-Ke; Decurtins, Silvio; Zheng, Li-Min","[M(OOCC6H4PO3H)(H2O)] (M(II) = Mn, Co, Ni): layered metal phosphonates showing variable magnetic behavior","CrystEngComm","2009","11","7","1255","","10.1039/b820935a","","","0.71073","MoKα","","0.0716","0.059","","","0.1329","0.141","","","","","","1.056","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200735","9.19","0.002","8.684","0.002","22.67","0.006","90","","90","","90","","1809.2","0.7","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H7 Mn O6 P -","- C7 H7 Mn O6 P -","- C56 H56 Mn8 O48 P8 -","8","1","","Li, Jin-Tang; Keene, Tony D.; Cao, Deng-Ke; Decurtins, Silvio; Zheng, Li-Min","[M(OOCC6H4PO3H)(H2O)] (M(II) = Mn, Co, Ni): layered metal phosphonates showing variable magnetic behavior","CrystEngComm","2009","11","7","1255","","10.1039/b820935a","","","0.71073","MoKα","","0.0621","0.0404","","","0.0835","0.0895","","","","","","0.989","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200736","8.95","0.003","8.558","0.003","22.461","0.007","90","","90","","90","","1720.4","1","273","2","273","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H7 Ni O6 P -","- C7 H7 Ni O6 P -","- C56 H56 Ni8 O48 P8 -","8","1","","Li, Jin-Tang; Keene, Tony D.; Cao, Deng-Ke; Decurtins, Silvio; Zheng, Li-Min","[M(OOCC6H4PO3H)(H2O)] (M(II) = Mn, Co, Ni): layered metal phosphonates showing variable magnetic behavior","CrystEngComm","2009","11","7","1255","","10.1039/b820935a","","","0.71073","MoKα","","0.0531","0.0446","","","0.1198","0.1259","","","","","","1.016","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200737","10.346","0.001","8.119","0.001","17.883","0.002","90","","90","","90","","1502.2","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","2,6-diflourophenylthioamide","2,6-diflourophenylthioamide","","- C7 H5 F2 N S -","- C7 H5 F2 N S -","- C56 H40 F16 N8 S8 -","8","1","","Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus","The influence of substitution and weak interactions on the crystal structures of a series of 2,6-disubstituted N-arylthioamides","CrystEngComm","2009","11","8","1658","","10.1039/b820944h","","","0.71073","MoKα","","0.0939","0.042","","","0.1012","0.1282","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200738","7.873","0.002","15.643","0.004","7.991","0.002","90","","117.336","0.005","90","","874.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,6-dichlorophenylthioamide","2,6-dichlorophenylthioamide","","- C7 H5 Cl2 N S -","- C7 H5 Cl2 N S -","- C28 H20 Cl8 N4 S4 -","4","1","","Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus","The influence of substitution and weak interactions on the crystal structures of a series of 2,6-disubstituted N-arylthioamides","CrystEngComm","2009","11","8","1658","","10.1039/b820944h","","","0.71073","MoKα","","0.0501","0.0297","","","0.0666","0.0734","","","","","","1.004","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200739","7.9801","0.0005","8.0314","0.0005","14.5984","0.0009","90","","99.884","0.004","90","","921.74","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2,6-dibromophenylthioamide","2,6-dibromophenylthioamide","","- C7 H5 Br2 N S -","- C7 H5 Br2 N S -","- C28 H20 Br8 N4 S4 -","4","1","","Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus","The influence of substitution and weak interactions on the crystal structures of a series of 2,6-disubstituted N-arylthioamides","CrystEngComm","2009","11","8","1658","","10.1039/b820944h","","","0.71073","MoKα","","0.0663","0.0458","","","0.1241","0.1334","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200740","14.555","0.002","8.0597","0.0013","16.133","0.003","90","","101.422","0.004","90","","1855.1","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,6-dimethylphenylthioamide","2,6-dimethylphenylthioamide","","- C9 H11 N S -","- C9 H11 N S -","- C72 H88 N8 S8 -","8","1","","Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus","The influence of substitution and weak interactions on the crystal structures of a series of 2,6-disubstituted N-arylthioamides","CrystEngComm","2009","11","8","1658","","10.1039/b820944h","","","0.71073","MoKα","","0.1057","0.0462","","","0.0989","0.1178","","","","","","0.981","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200741","14.367","0.001","8.022","0.001","16.068","0.001","90","","100.92","0.001","90","","1818.3","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2-chloro-6-methylphenylthioamide","2-chloro-6-methylphenylthioamide","","- C8 H8 Cl N S -","- C8 H8 Cl N S -","- C64 H64 Cl8 N8 S8 -","8","1","","Omondi, Bernard; Lemmerer, Andreas; Fernandes, Manuel A.; Levendis, Demetrius C.; Layh, Marcus","The influence of substitution and weak interactions on the crystal structures of a series of 2,6-disubstituted N-arylthioamides","CrystEngComm","2009","11","8","1658","","10.1039/b820944h","","","0.71073","MoKα","","0.0586","0.0474","","","0.1262","0.1349","","","","","","1.043","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200742","17.5429","0.0004","4.0659","0.0001","25.032","0.0005","90","","92.016","0.001","90","","1784.37","0.07","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Per2(Co(mnt)2)","Per2[Co(mnt)2]","","- C48 H24 Co N4 S4 -","- C48 H24 Co N4 S4 -","- C96 H48 Co2 N8 S8 -","2","0.5","","Almeida, Manuel; Gama, Vasco; Santos, Isabel C.; Graf, David; Brooks, James S.","Counterion dimerisation effects in the two-chain compound (Per)2[Co(mnt)2]: structure and anomalous pressure dependence of the electrical transport properties","CrystEngComm","2009","11","6","1103","","10.1039/b820995m","","","0.71073","MoKα","","0.0765","0.044","","","0.0799","0.0855","","","","","","0.822","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200743","9.3968","0.0002","7.0725","0.0001","15.8292","0.0003","90","","94.377","0.001","90","","1048.92","0.03","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H5 Cl2 Cs O6 -","- C6 H5 Cl2 Cs O6 -","- C24 H20 Cl8 Cs4 O24 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Meden, Anton","π-Stacking of quinoid rings in crystals of alkali diaqua hydrogen chloranilates","CrystEngComm","2009","11","7","1407","","10.1039/b821011j","","x-ray","0.71073","MoKα","","","0.0235","","","","0.0568","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200744","10.0492","0.0008","15.2833","0.0014","6.4546","0.0011","90","","99.156","0.009","90","","978.7","0.2","293","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 Cl2 K O6 -","- C6 H5 Cl2 K O6 -","- C24 H20 Cl8 K4 O24 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Meden, Anton","π-Stacking of quinoid rings in crystals of alkali diaqua hydrogen chloranilates","CrystEngComm","2009","11","7","1407","","10.1039/b821011j","","x-ray","1.54184","CuKα","","","0.0418","","","","0.1144","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200745","13.72","0.02","4.975","0.002","14.7","0.011","90","","90","","90","","1003.4","1.7","293","2","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H7 Cl2 Li O5 -","- C8 H7 Cl2 Li O5 -","- C32 H28 Cl8 Li4 O20 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Meden, Anton","π-Stacking of quinoid rings in crystals of alkali diaqua hydrogen chloranilates","CrystEngComm","2009","11","7","1407","","10.1039/b821011j","","x-ray","1.54184","CuKα","","","0.0432","","","","0.1336","","","","","","1.078","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200746","9.5958","0.0006","16.1908","0.0014","6.6678","0.0009","90","","98","0.009","90","","1025.85","0.18","293","2","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C6 H9 Cl2 N O6 -","- C6 H9 Cl2 N O6 -","- C24 H36 Cl8 N4 O24 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Meden, Anton","π-Stacking of quinoid rings in crystals of alkali diaqua hydrogen chloranilates","CrystEngComm","2009","11","7","1407","","10.1039/b821011j","","x-ray","1.54184","CuKα","","","0.0319","","","","0.0893","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200747","10.8727","0.0001","12.9973","0.0001","13.3899","0.0002","67.094","0.001","66.528","0.001","74.359","0.001","1584","0.03","150","2","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21 Cl6 Na5 O22 -","- C18 H21 Cl6 Na5 O22 -","- C36 H42 Cl12 Na10 O44 -","2","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Meden, Anton","π-Stacking of quinoid rings in crystals of alkali diaqua hydrogen chloranilates","CrystEngComm","2009","11","7","1407","","10.1039/b821011j","","x-ray","0.71073","MoKα","","","0.0315","","","","0.0796","","","","","","1.034","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200748","9.134","0.005","6.923","0.005","15.844","0.005","90","","94.092","0.005","90","","999.3","1","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H5 Cl2 O6 Rb -","- C6 H5 Cl2 O6 Rb -","- C24 H20 Cl8 O24 Rb4 -","4","1","","Molčanov, Krešimir; Kojić-Prodić, Biserka; Meden, Anton","π-Stacking of quinoid rings in crystals of alkali diaqua hydrogen chloranilates","CrystEngComm","2009","11","7","1407","","10.1039/b821011j","","x-ray","1.54184","CuKα","","","0.0502","","","","0.1361","","","","","","1.074","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200749","10.3457","0.0003","10.3457","0.0003","21.8653","0.0005","90","","90","","90","","2340.32","0.11","123","2","123","2","","","","","","","synthesis as described","5","P 43","P 4cw","78","","","","- C18 H18 I2 N6 O8 -","- C18 H18 I2 N6 O8 -","- C72 H72 I8 N24 O32 -","4","1","","Raatikainen, Kari; Rissanen, Kari","Hierarchical halogen bonding induces polymorphism","CrystEngComm","2009","11","5","750","","10.1039/b821085n","","x-ray","0.71073","MoKα","","0.0294","0.0258","","","0.0492","0.0505","","","","","","1.045","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200750","14.2543","0.0002","9.1438","0.0002","18.6546","0.0004","90","","106.168","0.001","90","","2335.25","0.08","123","2","123","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 I2 N6 O8 -","- C18 H18 I2 N6 O8 -","- C72 H72 I8 N24 O32 -","4","1","","Raatikainen, Kari; Rissanen, Kari","Hierarchical halogen bonding induces polymorphism","CrystEngComm","2009","11","5","750","","10.1039/b821085n","","x-ray","0.71073","MoKα","","0.0318","0.0278","","","0.0595","0.0613","","","","","","1.037","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200751","6.6185","0.001","11.5873","0.001","21.7075","0.002","90","","97.708","0.0007","90","","1649.7","0.3","123","2","123","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 I N4 O4 -","- C16 H11 I N4 O4 -","- C64 H44 I4 N16 O16 -","4","1","","Raatikainen, Kari; Rissanen, Kari","Hierarchical halogen bonding induces polymorphism","CrystEngComm","2009","11","5","750","","10.1039/b821085n","","x-ray","0.71073","MoKα","","0.0237","0.0201","","","0.0419","0.0434","","","","","","1.022","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200753","9.8675","0.0011","11.8984","0.0013","12.7498","0.0015","116.905","0.002","92.962","0.002","93.923","0.002","1326","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H30 Cd3 N8 O28 -","- C52 H30 Cd3 N8 O28 -","- C52 H30 Cd3 N8 O28 -","1","0.5","","Wang, Dong-E; Deng, Ke-Jian; Lv, Kang-Le; Wang, Cheng-Gang; Wen, Li-Li; Li, Dong-Feng","Structures, photoluminescence and photocatalytic properties of three new metal‒organic frameworks based on non-rigid long bridges","CrystEngComm","2009","11","7","1442","","10.1039/b821263e","","","0.71073","MoKα","","0.0664","0.0424","","","0.085","0.106","","","","","","1.031","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200754","9.9484","0.0009","10.788","0.001","13.8678","0.0013","92.909","0.001","108.763","0.002","117.277","0.001","1217.3","0.2","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 Gd N3 O17 -","- C21 H19 Gd N3 O17 -","- C42 H38 Gd2 N6 O34 -","2","1","","Wang, Dong-E; Deng, Ke-Jian; Lv, Kang-Le; Wang, Cheng-Gang; Wen, Li-Li; Li, Dong-Feng","Structures, photoluminescence and photocatalytic properties of three new metal‒organic frameworks based on non-rigid long bridges","CrystEngComm","2009","11","7","1442","","10.1039/b821263e","","","0.71073","MoKα","","0.0388","0.0304","","","0.0637","0.0801","","","","","","1.148","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200755","9.7413","0.0009","13.2603","0.0013","18.4924","0.0018","90","","98.52","0.002","90","","2362.3","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 Mn N5 O6 -","- C26 H21 Mn N5 O6 -","- C104 H84 Mn4 N20 O24 -","4","1","","Wang, Dong-E; Deng, Ke-Jian; Lv, Kang-Le; Wang, Cheng-Gang; Wen, Li-Li; Li, Dong-Feng","Structures, photoluminescence and photocatalytic properties of three new metal‒organic frameworks based on non-rigid long bridges","CrystEngComm","2009","11","7","1442","","10.1039/b821263e","","","0.71073","MoKα","","0.0891","0.0556","","","0.1051","0.1186","","","","","","0.894","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200756","6.539","0.006","9.325","0.009","17.317","0.017","83.307","0.017","88.561","0.019","89.15","0.02","1048.3","1.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H33 N O7 -","- C20 H33 N O7 -","- C40 H66 N2 O14 -","2","1","","Duggirala, Naga Kiran; Kanniah, Sundara Lakshmi; Muppidi, Vamsee Krishna; Thaimattam, Ram; Devarakonda, Surya","Polytypism in desvenlafaxine succinate monohydrate","CrystEngComm","2009","11","6","989","","10.1039/b821274k","","","0.7107","MoKα","","0.1367","0.0672","","","0.1505","0.1925","","","","","","0.871","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200757","7.2141","0.0014","7.4923","0.0015","15.456","0.003","85.14","0.03","86.43","0.03","70.65","0.03","784.9","0.3","110","2","110","2","","","","","","","","5","P -1","-P 1","2","Form I of 1:1 cocrystal of ethenzamide and saccharin","Form I of 1:1 cocrystal of ethenzamide and saccharin","","- C16 H16 N2 O5 S -","- C16 H16 N2 O5 S -","- C32 H32 N4 O10 S2 -","2","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Dimorphs of a 1 : 1 cocrystal of ethenzamide and saccharin: solid-state grinding methods result in metastable polymorph","CrystEngComm","2009","11","5","889","","10.1039/b821373a","","","0.71073","MoKα","","0.0392","0.0381","","","0.0935","0.0946","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200758","8.6125","0.0017","16.607","0.003","11.183","0.002","90","","91.45","0.03","90","","1599","0.5","110","2","110","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Form II of 1:1 cocrystal of ethenzamide and saccharin","Form II of 1:1 cocrystal of ethenzamide and saccharin","","- C16 H16 N2 O5 S -","- C16 H16 N2 O5 S -","- C64 H64 N8 O20 S4 -","4","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Dimorphs of a 1 : 1 cocrystal of ethenzamide and saccharin: solid-state grinding methods result in metastable polymorph","CrystEngComm","2009","11","5","889","","10.1039/b821373a","","","0.71073","MoKα","","0.0666","0.0595","","","0.1556","0.1662","","","","","","1.105","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200759","17.1338","0.0012","17.1338","0.0012","19.6083","0.0013","90","","90","","90","","5756.4","0.7","293","2","293","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C6 H10 Cu2 I N3 -","- C6 H10 Cu2 I N3 -","- C96 H160 Cu32 I16 N48 -","16","1","","Zhao, Zhen-Guo; Yu, Rong-Min; Wu, Xiao-Yuan; Zhang, Qi-Sheng; Xie, Yi-Ming; Wang, Fei; Ng, Seik Weng; Lu, Can-Zhong","One-pot synthesis of two new copper(i) coordination polymers: in situ formation of different ligands from 4-aminotriazole","CrystEngComm","2009","11","11","2494","","10.1039/b821491c","","","0.71073","MoKα","","0.0526","0.0434","","","0.125","0.1434","","","","","","1.097","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7200760","15.034","0.004","12.181","0.003","16.814","0.004","90","","102.133","0.003","90","","3010.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H15 Cu2 I2 N5 -","- C8 H15 Cu2 I2 N5 -","- C64 H120 Cu16 I16 N40 -","8","2","","Zhao, Zhen-Guo; Yu, Rong-Min; Wu, Xiao-Yuan; Zhang, Qi-Sheng; Xie, Yi-Ming; Wang, Fei; Ng, Seik Weng; Lu, Can-Zhong","One-pot synthesis of two new copper(i) coordination polymers: in situ formation of different ligands from 4-aminotriazole","CrystEngComm","2009","11","11","2494","","10.1039/b821491c","","","0.71073","MoKα","","0.0426","0.0358","","","0.087","0.0917","","","","","","1.06","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200762","15.521","0.003","26.412","0.005","6.9655","0.0014","90","","90","","90","","2855.4","1","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C40 H72 Cl4 N8 O8 -","- C40 H72 Cl4 N8 O8 -","- C80 H144 Cl8 N16 O16 -","2","0.5","","Alfonso, Ignacio; Bolte, Michael; Bru, Miriam; Burguete, M. Isabel; Luis, Santiago V.","Crystal structures of the HCl salts of pseudopeptidic macrocycles display ""knobs into holes"" hydrophobic interactions between aliphatic side chains","CrystEngComm","2009","11","5","735","738","10.1039/b821772f","","","0.71073","MoKα","","0.2118","0.1004","","","0.2571","0.316","","","","","","1.024","","","","has coordinates,has disorder","218490","2020-10-21","18:00:00",""
"7200763","26.7","0.005","7.0199","0.0014","17.975","0.004","90","","115.95","0.03","90","","3029.4","1.3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H90 Cl4 N8 O11 -","- C44 H76 Cl4 N8 O11 -","- C88 H152 Cl8 N16 O22 -","2","0.5","","Alfonso, Ignacio; Bolte, Michael; Bru, Miriam; Burguete, M. Isabel; Luis, Santiago V.","Crystal structures of the HCl salts of pseudopeptidic macrocycles display ""knobs into holes"" hydrophobic interactions between aliphatic side chains","CrystEngComm","2009","11","5","735","738","10.1039/b821772f","","","0.71073","MoKα","","0.2044","0.1134","","","0.2563","0.3102","","","","","","0.961","","","","has coordinates","218490","2020-10-21","18:00:00",""
"7200764","26.413","0.005","7.1135","0.001","15.775","0.003","90","","96.299","0.016","90","","2946.1","0.9","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H80 Cl4 N8 O6 -","- C44 H80 Cl4 N8 O6 -","- C88 H160 Cl8 N16 O12 -","2","0.5","","Alfonso, Ignacio; Bolte, Michael; Bru, Miriam; Burguete, M. Isabel; Luis, Santiago V.","Crystal structures of the HCl salts of pseudopeptidic macrocycles display ""knobs into holes"" hydrophobic interactions between aliphatic side chains","CrystEngComm","2009","11","5","735","738","10.1039/b821772f","","","0.71073","MoKα","","0.2316","0.142","","","0.3132","0.3527","","","","","","1.234","","","","has coordinates,has disorder","218490","2020-10-21","18:00:00",""
"7200765","12.278","0.001","12.33","0.001","31.945","0.004","90","","94.37","0.002","90","","4822","0.8","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","[Ni(terpyPh)2](PF6)2.4MeCN","","","- C50 H42 F12 N10 Ni P2 -","- C50 H42 F12 N10 Ni P2 -","- C200 H168 F48 N40 Ni4 P8 -","4","1","","McMurtrie, John; Dance, Ian","Crystal packing in metal complexes of 4′-phenylterpyridine and related ligands: occurrence of the 2D and 1D terpy embrace arrays","CrystEngComm","2009","11","6","1141","","10.1039/b821883h","","","0.71073","MoKα","","0.0485","0.0465","","","0.099","0.0999","","","","","","1.008","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200766","12.465","0.002","12.546","0.002","32.51","0.004","90","","94.74","0.02","90","","5066.7","1.3","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","[Ru(terpyPh)2](PF6)2.4MeCN","","","- C50 H42 F12 N10 P2 Ru -","- C50 H42 F12 N10 P2 Ru -","- C200 H168 F48 N40 P8 Ru4 -","4","1","","McMurtrie, John; Dance, Ian","Crystal packing in metal complexes of 4′-phenylterpyridine and related ligands: occurrence of the 2D and 1D terpy embrace arrays","CrystEngComm","2009","11","6","1141","","10.1039/b821883h","","","0.71073","MoKα","","0.0533","0.052","","","0.1181","0.1186","","","","","","1.071","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200767","8.7021","0.0017","34.037","0.006","9.6217","0.0018","90","","93.538","0.003","90","","2844.5","0.9","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","[Cu(terpyPh)2](PF6)2.4DMF","","","- C54 H58 Cu F12 N10 O4 P2 -","- C54 H58 Cu F12 N10 O4 P2 -","- C108 H116 Cu2 F24 N20 O8 P4 -","2","1","","McMurtrie, John; Dance, Ian","Crystal packing in metal complexes of 4′-phenylterpyridine and related ligands: occurrence of the 2D and 1D terpy embrace arrays","CrystEngComm","2009","11","6","1141","","10.1039/b821883h","","","0.71073","MoKα","","0.0529","0.0492","","","0.1034","0.1054","","","","","","1.038","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200768","8.7907","0.001","9.0547","0.001","30.257","0.003","96.778","0.002","92.357","0.002","91.431","0.002","2388.4","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","[Fe(terpyPh)2](PF6)2.4DMF","","","- C48 H44 F12 Fe N8 O2 P2 -","- C48 H44 F12 Fe N8 O2 P2 -","- C96 H88 F24 Fe2 N16 O4 P4 -","2","1","","McMurtrie, John; Dance, Ian","Crystal packing in metal complexes of 4′-phenylterpyridine and related ligands: occurrence of the 2D and 1D terpy embrace arrays","CrystEngComm","2009","11","6","1141","","10.1039/b821883h","","","0.71073","MoKα","","0.07","0.0639","","","0.1313","0.1348","","","","","","1.066","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200769","9.3232","0.0009","35.457","0.003","12.6761","0.0012","90","","91.987","0.002","90","","4187.9","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Fe(terpyPh)2](PF6)2.MeCN.H2O","","","- C44 H35 F12 Fe N7 O P2 -","- C44 H33 F12 Fe N7 O P2 -","- C176 H132 F48 Fe4 N28 O4 P8 -","4","1","","McMurtrie, John; Dance, Ian","Crystal packing in metal complexes of 4′-phenylterpyridine and related ligands: occurrence of the 2D and 1D terpy embrace arrays","CrystEngComm","2009","11","6","1141","","10.1039/b821883h","","","0.71073","MoKα","","0.0941","0.0491","","","0.084","0.0993","","","","","","1.097","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200770","8.5125","0.0008","11.569","0.0008","25.143","0.002","90","","90","","90","","2476.1","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 O7 U -","- C10 H10 O7 U -","- C80 H80 O56 U8 -","8","1","","Thuéry, Pierre","Uranyl‒organic bilayer assemblies with flexible aromatic di-, tri- and tetracarboxylic acids","CrystEngComm","2009","11","6","1081","","10.1039/b821895a","","","0.71073","MoKα","","0.0762","0.055","","","0.1324","0.1417","","","","","","1.062","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200771","17.1976","0.0013","14.4008","0.001","17.444","0.001","90","","115.938","0.004","90","","3885","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H38 O28 U3 -","- C24 H38 O28 U3 -","- C96 H152 O112 U12 -","4","0.5","","Thuéry, Pierre","Uranyl‒organic bilayer assemblies with flexible aromatic di-, tri- and tetracarboxylic acids","CrystEngComm","2009","11","6","1081","","10.1039/b821895a","","","0.71073","MoKα","","0.0409","0.0296","","","0.0646","0.0674","","","","","","0.99","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200772","9.7509","0.0007","14.4507","0.0013","16.4698","0.0009","80.919","0.004","87.734","0.003","84.375","0.004","2279.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H22 O28 U3 -","- C34 H16 O28 U3 -","- C68 H32 O56 U6 -","2","1","","Thuéry, Pierre","Uranyl‒organic bilayer assemblies with flexible aromatic di-, tri- and tetracarboxylic acids","CrystEngComm","2009","11","6","1081","","10.1039/b821895a","","","0.71073","MoKα","","0.0847","0.0633","","","0.1483","0.1576","","","","","","1.076","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200773","11.6222","0.0008","13.9067","0.0009","10.3985","0.0007","90","","102.513","0.001","90","","1640.75","0.19","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(Z)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.065","0.0461","","","0.1213","0.139","","","","","","1.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200774","11.6186","0.0009","13.9166","0.0011","10.419","0.0008","90","","102.484","0.002","90","","1644.8","0.2","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(Z)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.0705","0.0491","","","0.1307","0.148","","","","","","1.031","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200775","11.6272","0.0008","13.9254","0.001","10.4577","0.0008","90","","102.408","0.001","90","","1653.7","0.2","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(Z)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.0794","0.053","","","0.14","0.1601","","","","","","1.033","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200776","11.6561","0.0008","13.9147","0.001","10.5076","0.0008","90","","102.099","0.001","90","","1666.4","0.2","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(Z)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.1008","0.0602","","","0.156","0.184","","","","","","1.032","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200777","11.7174","0.001","13.8685","0.0012","10.5133","0.0009","90","","101.625","0.002","90","","1673.4","0.2","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(Z)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.1239","0.0667","","","0.156","0.1897","","","","","","1.027","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200778","11.8493","0.0009","13.8243","0.0011","10.4921","0.0008","90","","101.018","0.002","90","","1687","0.2","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(Z)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.1488","0.0664","","","0.1443","0.1821","","","","","","1.026","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200779","11.8957","0.0011","13.8099","0.0013","10.4687","0.001","90","","100.865","0.002","90","","1689","0.3","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","(Z)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C96 H64 O4 -","4","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.1246","0.0497","","","0.1067","0.1408","","","","","","0.995","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200780","18.769","0.002","10.7865","0.0012","18.524","0.002","90","","108.689","0.002","90","","3552.5","0.7","300","","300","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(E)-2-(9-anthrylmethylene)-6-methyl-1-indanone","","- C25 H18 O -","- C25 H18 O -","- C200 H144 O8 -","8","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.0736","0.0494","","","0.1231","0.1426","","","","","","1.042","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200781","18.7933","0.0011","10.8304","0.0007","18.5389","0.0011","90","","108.858","0.001","90","","3570.8","0.4","300","","300","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(E)-2-(9-anthrylmethylene)-6-methyl-1-indanone","","- C25 H18 O -","- C25 H18 O -","- C200 H144 O8 -","8","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.0873","0.0545","","","0.1317","0.1548","","","","","","1.031","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200782","18.6929","0.0013","10.7386","0.0008","18.4052","0.0013","90","","109.093","0.001","90","","3491.3","0.4","90","","90","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","(E)-2-(9-anthrylmethylene)-6-methyl-1-indanone","","- C25 H18 O -","- C25 H18 O -","- C200 H144 O8 -","8","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.0597","0.049","","","0.1304","0.1414","","","","","","1.038","","","","has coordinates,has disorder","180338","2020-10-21","18:00:00",""
"7200783","14.6663","0.0007","8.6866","0.0004","25.9906","0.0012","90","","90","","90","","3311.2","0.3","300","","300","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(E)-2-(9-anthrylmethylene)-1-indanone","","- C24 H16 O -","- C24 H16 O -","- C192 H128 O8 -","8","1","","Harada, Jun; Harakawa, Mayuko; Sugiyama, Shingo; Ogawa, Keiichiro","Single crystal cis‒trans photoisomerizations of 2-(9-anthrylmethylene)-1-indanones","CrystEngComm","2009","11","7","1235","","10.1039/b821900a","","","0.71073","MoKα","","0.0966","0.0521","","","0.11","0.1339","","","","","","1.068","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200784","10.8998","0.0005","11.4338","0.0004","17.9406","0.0005","90","","92.393","0.005","90","","2233.92","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C104 H96 N16 O8 -","8","2","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Cantoni, Giulia; De Filippo, Cecilia; Pipolo, Silvio","A discussion on the solid state organization of 4-pyridyl imino compounds and on the co-crystallization between their molecular precursors","CrystEngComm","2009","11","7","1433","","10.1039/b821909e","","","1.54184","CuKα","","0.0478","0.0422","","","0.1213","0.1261","","","","","","1.062","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200785","7.7618","0.0006","22.981","0.003","5.6539","0.0003","90","","90","","90","","1008.51","0.16","293","2","293","2","","","","","","","","4","P 21 a b","P -2b 2a","29","","","","- C12 H10 N2 O -","- C12 H10 N2 O -","- C48 H40 N8 O4 -","4","1","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Cantoni, Giulia; De Filippo, Cecilia; Pipolo, Silvio","A discussion on the solid state organization of 4-pyridyl imino compounds and on the co-crystallization between their molecular precursors","CrystEngComm","2009","11","7","1433","","10.1039/b821909e","","","1.54178","CuKα","","0.0617","0.043","","","0.0991","0.1097","","","","","","0.958","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200786","6.452","0.005","18.073","0.013","16.549","0.011","90","","109.52","0.03","90","","1819","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C96 H72 N8 O4 -","4","1","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Cantoni, Giulia; De Filippo, Cecilia; Pipolo, Silvio","A discussion on the solid state organization of 4-pyridyl imino compounds and on the co-crystallization between their molecular precursors","CrystEngComm","2009","11","7","1433","","10.1039/b821909e","","","0.71073","MoKα","","0.0698","0.0581","","","0.1551","0.1648","","","","","","1.091","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200787","11.737","0.002","7.473","0.002","13.759","0.003","90","","113.814","0.004","90","","1104.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N2 O -","- C13 H12 N2 O -","- C52 H48 N8 O4 -","4","1","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Cantoni, Giulia; De Filippo, Cecilia; Pipolo, Silvio","A discussion on the solid state organization of 4-pyridyl imino compounds and on the co-crystallization between their molecular precursors","CrystEngComm","2009","11","7","1433","","10.1039/b821909e","","","0.71073","MoKα","","0.0684","0.0558","","","0.137","0.1477","","","","","","1.076","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200788","10.913","0.004","8.774","0.003","14","0.005","90","","99.55","0.02","90","","1321.9","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Cantoni, Giulia; De Filippo, Cecilia; Pipolo, Silvio","A discussion on the solid state organization of 4-pyridyl imino compounds and on the co-crystallization between their molecular precursors","CrystEngComm","2009","11","7","1433","","10.1039/b821909e","","","0.71073","MoKα","","0.0836","0.0493","","","0.1276","0.1446","","","","","","1.02","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200789","11.3071","0.0014","17.413","0.002","7.2568","0.0009","90","","101.005","0.002","90","","1402.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Cantoni, Giulia; De Filippo, Cecilia; Pipolo, Silvio","A discussion on the solid state organization of 4-pyridyl imino compounds and on the co-crystallization between their molecular precursors","CrystEngComm","2009","11","7","1433","","10.1039/b821909e","","","0.71073","MoKα","","0.0524","0.0373","","","0.0994","0.1077","","","","","","1.039","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200790","15.0879","0.0007","7.4306","0.0003","5.7751","0.0001","90","","90","","90","","647.46","0.04","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C7 H9 N O -","- C7 H9 N O -","- C28 H36 N4 O4 -","4","1","","Bacchi, Alessia; Carcelli, Mauro; Chiodo, Tiziana; Cantoni, Giulia; De Filippo, Cecilia; Pipolo, Silvio","A discussion on the solid state organization of 4-pyridyl imino compounds and on the co-crystallization between their molecular precursors","CrystEngComm","2009","11","7","1433","","10.1039/b821909e","","","1.54184","CuKα","","0.0458","0.0433","","","0.1261","0.1287","","","","","","1.075","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200791","5.8933","0.0007","7.9383","0.0009","11.0988","0.0013","88.11","0.001","84.546","0.001","89.836","0.001","516.6","0.1","100","","100","","","","","","","","","4","P -1","-P 1","2","4,4'-bis(pentafluorophenylethnyl)-2,2'-bipyridine","4,4'-bis(pentafluorophenylethnyl)-2,2'-bipyridine","","- C26 H6 F10 N2 -","- C26 H6 F10 N2 -","- C26 H6 F10 N2 -","1","0.5","","Hori, Akiko; Takatani, Shohei; Miyamoto, Takeshi K.; Hasegawa, Miki","Luminescence from π‒π stacked bipyridines through arene‒perfluoroarene interactions","CrystEngComm","2009","11","4","567","","10.1039/b822007g","","","0.71073","MoKα","","0.043","0.0351","","","0.0944","0.1004","","","","","","1.067","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200792","7.463","0.002","15.2","0.005","18.46","0.006","95.369","0.004","90.52","0.004","92.737","0.004","2082.3","1.1","100","","100","","","","","","","","","4","P -1","-P 1","2","4,4'-diphenylethnyl-2,2'-bipyridine, 4,4'- bis(pentafluorophenylethnyl)-2,2'-bipyridine, benzene","4,4'-diphenylethnyl-2,2'-bipyridine, 4,4'-bis(pentafluorophenylethnyl)-2,2'-bipyridine, benzene","","- C55 H25 F10 N4 -","- C55 H25 F10 N4 -","- C110 H50 F20 N8 -","2","1","","Hori, Akiko; Takatani, Shohei; Miyamoto, Takeshi K.; Hasegawa, Miki","Luminescence from π‒π stacked bipyridines through arene‒perfluoroarene interactions","CrystEngComm","2009","11","4","567","","10.1039/b822007g","","","0.71073","MoKα","","0.0999","0.0494","","","0.1115","0.1435","","","","","","0.989","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200793","10.7927","0.0012","11.3308","0.0013","10.4449","0.0012","90","","107.464","0.001","90","","1218.4","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,4'-diphenylethnyl-2,2'-bipyridine, hexafluorobenzene","4,4'-diphenylethnyl-2,2'-bipyridine, hexafluorobenzene","","- C32 H16 F6 N2 -","- C32 H16 F6 N2 -","- C64 H32 F12 N4 -","2","0.5","","Hori, Akiko; Takatani, Shohei; Miyamoto, Takeshi K.; Hasegawa, Miki","Luminescence from π‒π stacked bipyridines through arene‒perfluoroarene interactions","CrystEngComm","2009","11","4","567","","10.1039/b822007g","","","0.71073","MoKα","","0.0513","0.0367","","","0.0965","0.1155","","","","","","1.092","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200794","5.9951","0.0012","6.5877","0.0013","15.83","0.003","86.69","0.03","83.08","0.03","76.01","0.03","602","0.2","120","2","120","2","","","","","","","","4","P 1","P 1","1","","Bis(S-N-(1-phenylethyl)-2,5-dihdyropyrrolo)tetrathiafulvalene","","- C26 H26 N2 S4 -","- C26 H26 N2 S4 -","- C26 H26 N2 S4 -","1","1","","Yang, Songjie; Brooks, Andrew C.; Martin, Lee; Day, Peter; Li, Hongchao; Horton, Peter; Male, Louise; Wallis, John D.","Novel enantiopure bis(pyrrolo)tetrathiafulvalene donors exhibiting chiral crystal packing arrangements","CrystEngComm","2009","11","6","993","","10.1039/b822009n","","","0.71073","MoKα","","0.0467","0.044","","","0.123","0.125","","","","","","1.302","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200795","7.4847","0.0004","7.4847","0.0004","42.565","0.003","90","","90","","90","","2384.5","0.2","120","2","120","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","Bis(S-N-(1-phenylethyl)pyrrolo)tetrathiafulvalene","","- C26 H22 N2 S4 -","- C26 H22 N2 S4 -","- C104 H88 N8 S16 -","4","0.5","","Yang, Songjie; Brooks, Andrew C.; Martin, Lee; Day, Peter; Li, Hongchao; Horton, Peter; Male, Louise; Wallis, John D.","Novel enantiopure bis(pyrrolo)tetrathiafulvalene donors exhibiting chiral crystal packing arrangements","CrystEngComm","2009","11","6","993","","10.1039/b822009n","","","0.71073","MoKα","","0.1479","0.0893","","","0.1303","0.1486","","","","","","1.149","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200796","12.705","0.003","6.1713","0.0012","19.492","0.004","90","","108.72","0.03","90","","1447.4","0.6","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Bis(R-N-(1-naphthyl)ethyl-2,5-dihydropyrrolo)tetrathiafulvalene","","- C34 H30 N2 S4 -","- C34 H30 N2 S4 -","- C68 H60 N4 S8 -","2","1","","Yang, Songjie; Brooks, Andrew C.; Martin, Lee; Day, Peter; Li, Hongchao; Horton, Peter; Male, Louise; Wallis, John D.","Novel enantiopure bis(pyrrolo)tetrathiafulvalene donors exhibiting chiral crystal packing arrangements","CrystEngComm","2009","11","6","993","","10.1039/b822009n","","","0.71073","MoKα","","0.1236","0.0796","","","0.1344","0.1555","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200797","10.8652","0.0002","10.8969","0.0002","47.0032","0.001","90","","90","","90","","5565.04","0.19","120","2","120","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","Bis(R-N-(1-naphthyl)ethylpyrrolo)tetrathiafulvalene","","- C34 H26 N2 S4 -","- C34 H26 N2 S4 -","- C272 H208 N16 S32 -","8","1","","Yang, Songjie; Brooks, Andrew C.; Martin, Lee; Day, Peter; Li, Hongchao; Horton, Peter; Male, Louise; Wallis, John D.","Novel enantiopure bis(pyrrolo)tetrathiafulvalene donors exhibiting chiral crystal packing arrangements","CrystEngComm","2009","11","6","993","","10.1039/b822009n","","","0.71073","MoKα","","0.0614","0.0572","","","0.1539","0.1558","","","","","","1.208","","","","has coordinates","180338","2020-10-21","18:00:00",""
"7200800","5.559","0.003","10.957","0.005","8.429","0.006","90","","99.21","0.03","90","","506.8","0.5","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N2 O6 -","- C8 H12 N2 O6 -","- C16 H24 N4 O12 -","2","0.5","","Rambaran, Varma H.; Balof, Shawna; Moody, LaMaryet; VanDerveer, Don; Holder, Alvin A.","A new and efficient synthetic route for the synthesis of 3,6-dimethylpyrazine-2,5-dicarboxylic acid hydrate: molecular structure and unique supramolecular interactions","CrystEngComm","2009","11","4","580","582","10.1039/b822030c","","","0.71073","MoKα","","0.0536","0.0439","","","0.1018","0.1091","","","","","","1.106","","","","has coordinates","218493","2020-10-21","18:00:00",""
"7200801","12.9969","0.0003","7.6546","0.0002","13.4691","0.0004","90","","99.859","0.002","90","","1320.2","0.06","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N O -","- C18 H13 N O -","- C72 H52 N4 O4 -","4","1","","Hosseinzadeh, R.; Lasemi, Z.; Seichter, W.; Weber, E.","Competitive interactions in crystalline 9-pyridyl-9-fluorenols: crossover from O‒H⋯O to O‒H⋯N hydrogen bonding to construct intra- and intermolecular, helical and linear contact modes","CrystEngComm","2009","11","7","1331","","10.1039/b822101d","","","0.71073","MoKα","","0.0584","0.041","","","0.0988","0.1115","","","","","","1.048","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200802","12.7369","0.0002","7.9376","0.0001","13.0497","0.0002","90","","96.935","0.001","90","","1309.68","0.03","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N O -","- C18 H13 N O -","- C72 H52 N4 O4 -","4","1","","Hosseinzadeh, R.; Lasemi, Z.; Seichter, W.; Weber, E.","Competitive interactions in crystalline 9-pyridyl-9-fluorenols: crossover from O‒H⋯O to O‒H⋯N hydrogen bonding to construct intra- and intermolecular, helical and linear contact modes","CrystEngComm","2009","11","7","1331","","10.1039/b822101d","","","0.71073","MoKα","","0.06","0.0404","","","0.1056","0.1223","","","","","","1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200803","6.712","0.0004","11.2486","0.0011","17.965","0.0016","90","","91.975","0.007","90","","1355.6","0.2","293","","293","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","IM-19 dmf","","","- C5.275 H5.475 Ga0.5 N0.425 O2.925 -","- C4 H2 Ga0.5 O2.5 -","- C32 H16 Ga4 O20 -","8","1","","Chaplais, Gérald; Simon-Masseron, Angélique; Porcher, Florence; Lecomte, Claude; Bazer-Bachi, Delphine; Bats, Nicolas; Patarin, Joël","IM-19: a new flexible microporous gallium based-MOF framework with pressure- and temperature-dependent openings","Physical Chemistry Chemical Physics","2009","11","26","5241","5245","10.1039/b822163d","","","0.71073","MoKα","","0.1151","0.0873","","","0.1297","0.1302","","","","9.41","9.41","7.97","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200804","17.437","0.0002","6.7475","0.0004","12.1541","0.0004","90","","90","","90","","1430","0.1","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","IM-19 ps","","","- C7 H4.75 Ga0.5 O4 -","- C4 H2 Ga0.5 O2.5 -","- C32 H16 Ga4 O20 -","8","1","","Chaplais, Gérald; Simon-Masseron, Angélique; Porcher, Florence; Lecomte, Claude; Bazer-Bachi, Delphine; Bats, Nicolas; Patarin, Joël","IM-19: a new flexible microporous gallium based-MOF framework with pressure- and temperature-dependent openings","Physical Chemistry Chemical Physics","2009","11","26","5241","5245","10.1039/b822163d","","","0.71073","MoKα","","0.1747","0.0981","","","0.2113","0.2143","","","","7.75","7.75","5.1","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200805","23.6321","0.0003","7.3338","0.0001","16.9532","0.0002","90","","104.131","0.001","90","","2849.3","0.06","130","2","130","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","iodobis(1,10-phenanthroline)copper(ii) phenylsulphonate dihydrate","iodobis(1,10-phenanthroline)copper(II) phenylsulphonate dihydrate","","- C30 H25 Cu I N4 O5 S -","- C30 H23 Cu I N4 O5 S -","- C120 H92 Cu4 I4 N16 O20 S4 -","4","1","","Latham, Kay; Mensforth, Emily J.; Rix, Colin J.; White, Jonathan M.","Synthesis of supramolecular metallo-amine-oxy acid systems via crystal disassembly/reassembly","CrystEngComm","2009","11","7","1343","","10.1039/b822193f","","","1.54184","CuKα","","0.0804","0.0614","","","0.1664","0.1712","","","","","","1.102","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200806","8.7924","0.0004","11.6205","0.0006","17.1222","0.0008","77.617","0.002","87.597","0.002","77.705","0.002","1669.51","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","bis(ethylenedithio)tetrathiafulvalene trifluorofluoromethylsulfonate","bis(ethylenedithio)tetrathiafulvalene trifluorofluoromethylsulfonate","","- C22 H18 F3 O3 S17 -","- C22 H18 F3 O3 S17 -","- C44 H36 F6 O6 S34 -","2","1","","Olejniczak, Iwona; Barszcz, Bolesław; Szutarska, Anna; Graja, Andrzej; Wojciechowski, Roman; Schlueter, John A.; Hata, Aaron N.; Ward, Brian H.","IR and Raman spectra of β″-(BEDT-TTF)2RCH2SO3 (R = SF5, CF3): dimerization related to hydrogen bonding","Physical Chemistry Chemical Physics","2009","11","20","3910","3920","10.1039/b822253c","","","0.71073","MoKα","","0.0338","0.0294","","","0.0783","0.0821","","","","","","1.052","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200807","8.889","0.0005","11.7375","0.0006","17.219","0.0009","77.299","0.002","86.942","0.002","77.239","0.002","1709.27","0.16","568","2","298","2","","","","","","","","5","P -1","-P 1","2","bis(ethylenedithio)tetrathiafulvalene trifluorofluoromethylsulfonate","bis(ethylenedithio)tetrathiafulvalene trifluorofluoromethylsulfonate","","- C22 H18 F3 O3 S17 -","- C22 H18 F3 O3 S17 -","- C44 H36 F6 O6 S34 -","2","1","","Olejniczak, Iwona; Barszcz, Bolesław; Szutarska, Anna; Graja, Andrzej; Wojciechowski, Roman; Schlueter, John A.; Hata, Aaron N.; Ward, Brian H.","IR and Raman spectra of β″-(BEDT-TTF)2RCH2SO3 (R = SF5, CF3): dimerization related to hydrogen bonding","Physical Chemistry Chemical Physics","2009","11","20","3910","3920","10.1039/b822253c","","","0.71073","MoKα","","0.0585","0.0439","","","0.1162","0.129","","","","","","1.028","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200808","12.51","0.002","13.671","0.002","7.5479","0.0012","90","","92.307","0.003","90","","1289.8","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 Co N5 O5 -","- C13 H9 Co N5 O5 -","- C52 H36 Co4 N20 O20 -","4","0.5","","Su, Zhi; Bai, Zheng-Shuai; Xu, Jing; Okamura, Taka-aki; Liu, Guang-Xiang; Chu, Qian; Wang, Xiao-Feng; Sun, Wei-Yin; Ueyama, Norikazu","Synthesis, structure and property of cobalt(II) complexes with 3,5-di(1H-imidazol-1-yl)benzoic acid","CrystEngComm","2009","11","5","873","","10.1039/b822394g","","","0.71073","MoKα","","0.0464","0.0405","","","0.1009","0.104","","","","","","1.12","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200809","19.485","0.009","7.084","0.003","12.134","0.007","90","","103.33","0.02","90","","1629.8","1.4","200","","200","","","","","","","","","6","C 1 2 1","C 2y","5","(Co(H2O)2(G1))(ClO4)","[Co(H2O)2(G1)](ClO4)","","- C13 H13 Cl Co N4 O8 -","- C13 H13 Cl Co N4 O8 -","- C52 H52 Cl4 Co4 N16 O32 -","4","1","","Su, Zhi; Bai, Zheng-Shuai; Xu, Jing; Okamura, Taka-aki; Liu, Guang-Xiang; Chu, Qian; Wang, Xiao-Feng; Sun, Wei-Yin; Ueyama, Norikazu","Synthesis, structure and property of cobalt(II) complexes with 3,5-di(1H-imidazol-1-yl)benzoic acid","CrystEngComm","2009","11","5","873","","10.1039/b822394g","","","0.71075","MoKα","","0.0362","0.0339","","","0.0866","0.0886","","","","","","1.042","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200810","11.545","0.0001","11.545","0.0001","32.9386","0.0006","90","","90","","120","","3802.1","0.08","150","2","150","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C29 H28 Cu N2 O6 -","- C29 H28 Cu N2 O6 -","- C174 H168 Cu6 N12 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","1.54178","CuKα","","0.1088","0.0972","","","0.2189","0.2267","","","","","","1.07","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200811","11.5503","0.0002","11.5503","0.0002","32.9751","0.0017","90","","90","","120","","3809.8","0.2","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C29 H28 Cu N2 O6 -","- C29 H28 Cu N2 O6 -","- C174 H168 Cu6 N12 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","1.54178","CuKα","","0.0377","0.032","","","0.0864","0.0891","","","","","","1.079","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200812","11.1531","0.0004","9.9944","0.0003","24.0449","0.0007","90","","90","","90","","2680.25","0.15","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C29 H28 Cu N2 O6 -","- C29 H28 Cu N2 O6 -","- C116 H112 Cu4 N8 O24 -","4","1","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","1.54178","CuKα","","0.0738","0.0537","","","0.129","0.1369","","","","","","0.991","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200813","9.0498","0.0017","13.27","0.002","16.353","0.003","90","","103.053","0.004","90","","1913.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 Cu2 N4 O6 -","- C42 H40 Cu2 N4 O6 -","- C84 H80 Cu4 N8 O12 -","2","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","0.71073","MoKα","","0.0713","0.059","","","0.1335","0.1402","","","","","","1.152","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200814","11.6431","0.0012","11.6431","0.0012","32.956","0.007","90","","90","","120","","3869","1","293","2","293","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C29 H28 Fe N2 O6 -","- C29 H28 Fe N2 O6 -","- C174 H168 Fe6 N12 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","0.71073","MoKα","","0.0875","0.0713","","","0.1676","0.1793","","","","","","1.051","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200815","11.5654","0.0008","11.5654","0.0008","32.789","0.002","90","","90","","120","","3798.2","0.4","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C29 H28 Fe N2 O6 -","- C29 H28 Fe N2 O6 -","- C174 H168 Fe6 N12 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","0.71073","MoKα","","0.0725","0.0422","","","0.1006","0.1107","","","","","","1.051","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200816","11.5947","0.0016","11.5947","0.0016","33.068","0.009","90","","90","","120","","3850","1.3","293","2","293","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C29 H28 Co N2 O6 -","- C29 H28 Co N2 O6 -","- C174 H168 Co6 N12 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","0.71073","MoKα","","0.1389","0.1025","","","0.2294","0.2551","","","","","","1.017","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200817","11.5834","0.0017","11.5834","0.0017","33.052","0.01","90","","90","","120","","3840.6","1.4","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C29 H28 Co N2 O6 -","- C29 H28 Co N2 O6 -","- C174 H168 Co6 N12 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","0.71073","MoKα","","0.1003","0.0537","","","0.1102","0.1282","","","","","","1.046","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200818","11.5175","0.0008","11.5175","0.0008","33.162","0.004","90","","90","","120","","3809.7","0.6","150","2","150","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C29 H28 N2 Ni O6 -","- C29 H28 N2 Ni O6 -","- C174 H168 N12 Ni6 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","0.71073","MoKα","","0.0956","0.0854","","","0.1982","0.2066","","","","","","1.05","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200819","11.4711","0.0001","11.4711","0.0001","33.0791","0.0004","90","","90","","120","","3769.59","0.07","150","2","150","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C29 H28 N2 Ni O6 -","- C29 H28 N2 Ni O6 -","- C174 H168 N12 Ni6 O36 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","1.54184","CuKα","","0.0456","0.0323","","","0.0629","0.0649","","","","","","0.926","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200820","11.5947","0.0016","11.5947","0.0016","33.068","0.009","90","","90","","120","","3850","1.3","123","2","123","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","","","","- C29 H28 N2 O6 Zn -","- C29 H28 N2 O6 Zn -","- C174 H168 N12 O36 Zn6 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","0.71073","MoKα","","0.0945","0.0669","","","0.1603","0.1716","","","","","","1.087","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200821","11.6056","0.001","11.6056","0.001","33.043","0.005","90","","90","","120","","3854.3","0.7","293","2","293","2","","","","","","","","5","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C29 H28 N2 O6 Zn -","- C29 H28 N2 O6 Zn -","- C174 H168 N12 O36 Zn6 -","6","0.5","","Hao, Hong-Qing; Liu, Wen-Ting; Tan, Wei; Lin, Zhuo-Jia; Tong, Ming-Liang","Spontaneous resolution of chiral metal mandelates by stereochemical control","CrystEngComm","2009","11","6","967","","10.1039/b822506k","","","0.71073","MoKα","","0.0697","0.0506","","","0.1112","0.1196","","","","","","1.026","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200822","7.9582","0.0015","9.2167","0.0015","9.6845","0.0019","73.672","0.009","81.868","0.011","70.65","0.009","642.3","0.2","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N4 O2 S2 -","- C28 H28 N4 O2 S2 -","- C28 H28 N4 O2 S2 -","1","0.5","","Ellis, Carol A.; Miller, Michael A.; Spencer, James; Zukerman-Schpector, Julio; Tiekink, Edward R. T.","Co-crystallization experiments of thiocarbamides with bipyridine-type molecules","CrystEngComm","2009","11","7","1352","","10.1039/b822555a","","","0.7107","MoKα","","0.05","0.045","","","0.104","0.107","","","","","","1.08","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200823","7.378","0.008","7.956","0.01","12.339","0.015","101.02","0.05","95.14","0.03","99.78","0.03","695","1.4","98","2","98","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 N6 O6 S2 -","- C28 H26 N6 O6 S2 -","- C28 H26 N6 O6 S2 -","1","0.5","","Ellis, Carol A.; Miller, Michael A.; Spencer, James; Zukerman-Schpector, Julio; Tiekink, Edward R. T.","Co-crystallization experiments of thiocarbamides with bipyridine-type molecules","CrystEngComm","2009","11","7","1352","","10.1039/b822555a","","","0.7107","MoKα","","0.081","0.063","","","0.163","0.22","","","","","","1.22","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200824","8.0156","0.0017","9.341","0.0017","9.916","0.003","98.324","0.007","110.766","0.005","91.31","0.002","684.7","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 N4 O2 S2 -","- C30 H32 N4 O2 S2 -","- C30 H32 N4 O2 S2 -","1","0.5","","Ellis, Carol A.; Miller, Michael A.; Spencer, James; Zukerman-Schpector, Julio; Tiekink, Edward R. T.","Co-crystallization experiments of thiocarbamides with bipyridine-type molecules","CrystEngComm","2009","11","7","1352","","10.1039/b822555a","","","0.7107","MoKα","","0.046","0.043","","","0.111","0.115","","","","","","1.05","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200825","9.727","0.007","14.64","0.009","10.112","0.007","90","","100.83","0.02","90","","1414.3","1.7","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 N6 O6 S2 -","- C28 H28 N6 O6 S2 -","- C56 H56 N12 O12 S4 -","2","0.5","","Ellis, Carol A.; Miller, Michael A.; Spencer, James; Zukerman-Schpector, Julio; Tiekink, Edward R. T.","Co-crystallization experiments of thiocarbamides with bipyridine-type molecules","CrystEngComm","2009","11","7","1352","","10.1039/b822555a","","","0.7107","MoKα","","0.113","0.094","","","0.214","0.225","","","","","","1.21","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200826","11.454","0.004","14.95","0.006","17.707","0.007","90","","95.738","0.011","90","","3017","2","98","2","98","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 N2 O S -","- C16 H18 N2 O S -","- C128 H144 N16 O8 S8 -","8","1","","Ellis, Carol A.; Miller, Michael A.; Spencer, James; Zukerman-Schpector, Julio; Tiekink, Edward R. T.","Co-crystallization experiments of thiocarbamides with bipyridine-type molecules","CrystEngComm","2009","11","7","1352","","10.1039/b822555a","","","0.7107","MoKα","","0.078","0.072","","","0.201","0.214","","","","","","1.2","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200827","12.047","0.002","14.947","0.001","13.02","0.002","90","","111.404","0.007","90","","2182.8","0.5","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 O5 -","- C22 H41.5 O5 -","- C88 H166 O20 -","4","1","","Nguyen, Vi T.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Alternative crystal forms produced by a dialcohol inclusion host : Resolutions and polymorphs. Part 3","CrystEngComm","2009","11","7","1275","","10.1039/b822624p","","x-ray","1.54184","CuKα","","","0.048","","","","0.062","","","","","","1.78","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200828","20.575","0.013","15.282","0.005","11.747","0.008","90","","91.01","0.03","90","","3693","4","294","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H65 O6 -","- C37 H62 O6 -","- C148 H248 O24 -","4","1","","Nguyen, Vi T.; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Alternative crystal forms produced by a dialcohol inclusion host : Resolutions and polymorphs. Part 3","CrystEngComm","2009","11","7","1275","","10.1039/b822624p","","x-ray","0.71073","MoKα","","","0.082","","","","0.117","","","","","","1.55","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200831","19.581","0.005","13.149","0.004","24.19","0.013","90","","93.75","0.04","90","","6215","4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 Sn2 -","- C37 H32 Sn2 -","- C296 H256 Sn16 -","8","2","","Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Kuan, Fong Sheen; Tiekink, Edward R. T.","The influence of crystal packing effects upon the molecular structures of Ph3Sn(CH2)nSnPh3, n = 1 to 8, as determined by X-ray crystallography and DFT molecular orbital calculations. Supramolecular aggregation patterns sustained by C‒H⋯π interactions","CrystEngComm","2009","11","7","1362","","10.1039/b822682b","","","0.7107","MoKα","","0.115","0.038","","","0.091","0.115","","","","","","1","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200832","7.898","0.004","17.096","0.007","18.254","0.009","78.8","0.04","80.02","0.04","80.76","0.04","2361","2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H34 Sn2 -","- C38 H34 Sn2 -","- C114 H102 Sn6 -","3","1.5","","Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Kuan, Fong Sheen; Tiekink, Edward R. T.","The influence of crystal packing effects upon the molecular structures of Ph3Sn(CH2)nSnPh3, n = 1 to 8, as determined by X-ray crystallography and DFT molecular orbital calculations. Supramolecular aggregation patterns sustained by C‒H⋯π interactions","CrystEngComm","2009","11","7","1362","","10.1039/b822682b","","","0.71069","MoKα","","0.051","0.028","","","0.069","0.077","","","","","","1.05","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7200833","44.7","0.04","6.65","0.008","17.806","0.016","90","","108.97","0.07","90","","5005","9","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C39 H36 Sn2 -","- C39 H36 Sn2 -","- C234 H216 Sn12 -","6","1.5","","Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Kuan, Fong Sheen; Tiekink, Edward R. T.","The influence of crystal packing effects upon the molecular structures of Ph3Sn(CH2)nSnPh3, n = 1 to 8, as determined by X-ray crystallography and DFT molecular orbital calculations. Supramolecular aggregation patterns sustained by C‒H⋯π interactions","CrystEngComm","2009","11","7","1362","","10.1039/b822682b","","","0.71069","MoKα","","0.059","0.03","","","0.07","0.079","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200834","19.681","0.01","10.123","0.0015","18.193","0.005","90","","100.44","0.03","90","","3565","2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C41 H40 Sn2 -","- C41 H40 Sn2 -","- C164 H160 Sn8 -","4","1","","Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Kuan, Fong Sheen; Tiekink, Edward R. T.","The influence of crystal packing effects upon the molecular structures of Ph3Sn(CH2)nSnPh3, n = 1 to 8, as determined by X-ray crystallography and DFT molecular orbital calculations. Supramolecular aggregation patterns sustained by C‒H⋯π interactions","CrystEngComm","2009","11","7","1362","","10.1039/b822682b","","","0.71069","MoKα","","0.084","0.033","","","0.062","0.076","","","","","","1.01","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200835","12.092","0.003","16.255","0.007","19.16","0.003","90","","105.347","0.015","90","","3631.7","1.9","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 Sn2 -","- C42 H42 Sn2 -","- C168 H168 Sn8 -","4","0.5","","Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Kuan, Fong Sheen; Tiekink, Edward R. T.","The influence of crystal packing effects upon the molecular structures of Ph3Sn(CH2)nSnPh3, n = 1 to 8, as determined by X-ray crystallography and DFT molecular orbital calculations. Supramolecular aggregation patterns sustained by C‒H⋯π interactions","CrystEngComm","2009","11","7","1362","","10.1039/b822682b","","","0.71069","MoKα","","0.067","0.026","","","0.059","0.069","","","","","","1.02","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200836","32.89","0.03","7.65","0.01","31.334","0.008","90","","103.06","0.05","90","","7680","12","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C43 H44 Sn2 -","- C43 H44 Sn2 -","- C344 H352 Sn16 -","8","1","","Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Kuan, Fong Sheen; Tiekink, Edward R. T.","The influence of crystal packing effects upon the molecular structures of Ph3Sn(CH2)nSnPh3, n = 1 to 8, as determined by X-ray crystallography and DFT molecular orbital calculations. Supramolecular aggregation patterns sustained by C‒H⋯π interactions","CrystEngComm","2009","11","7","1362","","10.1039/b822682b","","","0.71069","MoKα","","0.297","0.12","","","0.327","0.394","","","","","","1.69","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200837","14.356","0.003","7.707","0.003","17.147","0.006","90","","97.47","0.02","90","","1881.1","1.1","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H46 Sn2 -","- C44 H46 Sn2 -","- C88 H92 Sn4 -","2","0.5","","Bettens, Ryan P. A.; Dakternieks, Dainis; Duthie, Andrew; Kuan, Fong Sheen; Tiekink, Edward R. T.","The influence of crystal packing effects upon the molecular structures of Ph3Sn(CH2)nSnPh3, n = 1 to 8, as determined by X-ray crystallography and DFT molecular orbital calculations. Supramolecular aggregation patterns sustained by C‒H⋯π interactions","CrystEngComm","2009","11","7","1362","","10.1039/b822682b","","","0.71069","MoKα","","0.058","0.027","","","0.066","0.076","","","","","","1.01","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200838","5.216","0.003","12.753","0.008","15.346","0.008","82.546","0.014","80.707","0.013","87.955","0.015","998.8","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N2 O11.49 Zn -","- C17.999 H18 N2 O11.5 Zn -","- C35.998 H36 N4 O23 Zn2 -","2","1","","Zhang, Lei; Lin, Qi-Pu; Li, Zhao-Ji; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Configuration determination of flexible tetracarboxylate ligands in two supramolecular structures","CrystEngComm","2009","11","7","1201","","10.1039/b822767e","","","0.71073","MoKα","","0.0573","0.0423","","","0.0977","0.107","","","","","","0.963","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200839","8.44","0.007","9.794","0.008","12.998","0.011","92.785","0.009","108.818","0.011","91.918","0.011","1014.4","1.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H17 N2 O9.5 Zn2 -","- C19 H17 N2 O9.5 Zn2 -","- C38 H34 N4 O19 Zn4 -","2","1","","Zhang, Lei; Lin, Qi-Pu; Li, Zhao-Ji; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Configuration determination of flexible tetracarboxylate ligands in two supramolecular structures","CrystEngComm","2009","11","7","1201","","10.1039/b822767e","","","0.71073","MoKα","","0.0769","0.0515","","","0.1147","0.1309","","","","","","1.026","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200840","7.8746","0.0016","21.825","0.004","17.83","0.004","90","","99.62","0.03","90","","3021.2","1.1","133","2","133","2","","","","","","","","6","P 1 21 1","P 2yb","4","(1-(((R)-m-(E)-2-(7-chloroquinol-2-yl)vinyl))-a-(2-(1-hydroxy- 1-methylethyl)\ phenylethyl)-benzylthio)methyl)cyclopropane acetic acid","(1-{[(R)-m-(E)-2-(7-chloroquinol-2-yl)vinyl)]-a-[2-(1-hydroxy-1-methylethyl)\ phenylethyl]-benzylthio}methyl)cyclopropane acetic acid","","- C35 H36 Cl N O3 S -","- C35 H36 Cl N O3 S -","- C140 H144 Cl4 N4 O12 S4 -","4","2","","Thun, Juergen; Milius, Wolfgang; Wedel, Bastian; Ridder, Andre; Moersdorf, Peter; Breu, Josef","The crystal structure of the API Montelukast","CrystEngComm","2009","11","7","1306","","10.1039/b822821c","","","0.71073","MoKα","","0.0983","0.0619","","","0.1115","0.1239","","","","","","1.035","","","","has coordinates","287905","2023-11-30","18:01:52",""
"7200841","9.5983","0.0019","5.9716","0.0012","9.784","0.002","90","","107.41","0.03","90","","535.1","0.2","296","2","296","2","620000","","","","","","","6","P 1 21/c 1","-P 2ybc","14","1-bromo-2-iodo-1,1,2,2-tetrafluoroethane:1,4-dioxane","1-bromo-2-iodo-1,1,2,2-tetrafluoroethane:1,4-dioxane","","- C6 H8 Br F4 I O2 -","- C6 H8 Br F4 I O2 -","- C12 H16 Br2 F8 I2 O4 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani","Halogen⋯oxygen aggregation and disorder modes in pressure frozen XCF2CF2X : 1,4-dioxane (X = Br,I) complexes","CrystEngComm","2009","11","7","1240","","10.1039/b822832a","","","0.71073","MoKα","","0.0814","0.07","","","0.1584","0.1651","","","","","","1.196","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200842","5.659","0.001","6.41","0.001","5.892","0.001","90","","98.36","0.03","90","","211.46","0.06","296","2","296","2","420000","","","","","","","3","P 1 21/n 1","-P 2yn","14","1,4-dioxane","1,4-dioxane","","- C4 H8 O2 -","- C4 H8 O2 -","- C8 H16 O4 -","2","0.5","","Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani","Halogen⋯oxygen aggregation and disorder modes in pressure frozen XCF2CF2X : 1,4-dioxane (X = Br,I) complexes","CrystEngComm","2009","11","7","1240","","10.1039/b822832a","","","0.71073","MoKα","","0.2073","0.1784","","","0.325","0.34","","","","","","1.416","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200843","8.838","0.001","8.838","0.001","13.532","0.003","90","","90","","120","","915.4","0.3","296","2","296","2","300000","","","","","","","5","R -3 :H","-R 3","148","1,2-diiodo-1,1,2,2-tetrafluoroethane:1,4-dioxane","1,2-diiodo-1,1,2,2-tetrafluoroethane:1,4-dioxane","","- C6 H8 F4 I2 O2 -","- C6 H7.92 F3.96 I2 O2 -","- C18 H23.76 F11.88 I6 O6 -","3","0.166667","","Olejniczak, Anna; Katrusiak, Andrzej; Vij, Ashwani","Halogen⋯oxygen aggregation and disorder modes in pressure frozen XCF2CF2X : 1,4-dioxane (X = Br,I) complexes","CrystEngComm","2009","11","7","1240","","10.1039/b822832a","","","0.71073","MoKα","","0.1451","0.1335","","","0.3502","0.3668","","","","","","1.44","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200844","15.9084","0.0006","14.3646","0.0006","16.7141","0.0008","90","","116.386","0.002","90","","3421.6","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C42 H66 N29 O35 Re U -","- C42 H66 N29 O35 Re U -","- C84 H132 N58 O70 Re2 U2 -","2","1","","Thuéry, Pierre","Uranyl ion complexes of cucurbit[7]uril with zero-, one- and two-dimensionality","CrystEngComm","2009","11","6","1150","","10.1039/b822872h","","","0.71073","MoKα","","0.0633","0.0471","","","0.1205","0.1247","","","","","","1.029","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200845","29.9954","0.0008","17.6794","0.0007","20.5253","0.0006","90","","127.974","0.002","90","","8580.2","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H80 N32 O55 U4 -","- C42 H76 N32 O55 U4 -","- C168 H304 N128 O220 U16 -","4","0.5","","Thuéry, Pierre","Uranyl ion complexes of cucurbit[7]uril with zero-, one- and two-dimensionality","CrystEngComm","2009","11","6","1150","","10.1039/b822872h","","","0.71073","MoKα","","0.0492","0.0383","","","0.097","0.1013","","","","","","1.048","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200846","17.8166","0.0008","20.4976","0.0009","19.134","0.0007","90","","90.607","0.003","90","","6987.3","0.5","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C44 H68 N28 O35 U2 -","- C44 H46 N28 O35 U2 -","- C176 H184 N112 O140 U8 -","4","1","","Thuéry, Pierre","Uranyl ion complexes of cucurbit[7]uril with zero-, one- and two-dimensionality","CrystEngComm","2009","11","6","1150","","10.1039/b822872h","","","0.71073","MoKα","","0.0662","0.0608","","","0.1611","0.1638","","","","","","1.05","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200848","8.2406","0.0004","5.21314","0.00024","11.4415","0.0006","90","","103.909","0.0024","90","","477.11","0.04","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","zinc fumarate","zinc fumarate","","- C4 H2 O4 Zn -","- C4 H2 O4 Zn -","- C16 H8 O16 Zn4 -","4","0.5","","Friščić, Tomislav; Fábián, László","Mechanochemical conversion of a metal oxide into coordination polymers and porous frameworks using liquid-assisted grinding (LAG)","CrystEngComm","2009","11","5","743","","10.1039/b822934c","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.03578","","1.03","","","","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200849","3.3969","0.00006","10.34413","0.00024","8.80754","0.00016","90","","95.5452","0.0022","90","","308.031","0.011","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","zinc fumarate dihydrate","zinc fumarate dihydrate","","- C4 H6 O6 Zn -","- C4 H6 O6 Zn -","- C8 H12 O12 Zn2 -","2","0.5","","Friščić, Tomislav; Fábián, László","Mechanochemical conversion of a metal oxide into coordination polymers and porous frameworks using liquid-assisted grinding (LAG)","CrystEngComm","2009","11","5","743","","10.1039/b822934c","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.04261","","1.36","","","","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200850","16.4332","0.0009","10.7749","0.0009","13.784","0.0012","90","","104.979","0.007","90","","2357.7","0.3","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","zinc(trans-1,2-bis(4-pyridyl)ethylene) fumarate","zinc(trans-1,2-bis(4-pyridyl)ethylene) fumarate","","- C10 H7 N O4 Zn -","- C10 H7 N O4 Zn -","- C80 H56 N8 O32 Zn8 -","8","1","","Friščić, Tomislav; Fábián, László","Mechanochemical conversion of a metal oxide into coordination polymers and porous frameworks using liquid-assisted grinding (LAG)","CrystEngComm","2009","11","5","743","","10.1039/b822934c","powder diffraction","x-ray","1.5406","CuKα~1~","","","","","","","","0.05911","","4.14","","","","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200851","25.574","0.005","8.6352","0.0017","17.905","0.004","90","","122.61","0.03","90","","3330.8","1.6","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H28 N2 O8 -","- C41 H28 N2 O8 -","- C164 H112 N8 O32 -","4","0.5","","Men, Yong-Biao; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Organic hydrogen-bonded interpenetrating diamondoid frameworks from modular self-assembly of methanetetrabenzoic acid with linkers","CrystEngComm","2009","11","6","978","","10.1039/b822936h","","","0.71073","MoKα","","0.0844","0.0575","","","0.1162","0.1256","","","","","","1.189","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200852","12.7276","0.0018","12.7276","0.0018","56.994","0.011","90","","90","","90","","9233","3","173","2","173","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C49 H36 N4 O8 -","- C49 H36 N4 O8 -","- C392 H288 N32 O64 -","8","0.25","","Men, Yong-Biao; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Organic hydrogen-bonded interpenetrating diamondoid frameworks from modular self-assembly of methanetetrabenzoic acid with linkers","CrystEngComm","2009","11","6","978","","10.1039/b822936h","","","0.71073","MoKα","","0.08","0.0428","","","0.0919","0.0989","","","","","","0.893","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200853","7.9606","0.0002","8.5798","0.0002","10.7739","0.0003","87.868","0.003","85.153","0.002","88.212","0.001","732.43","0.03","298","","298","","","","","","","","The compound was used as received from Sigma-Aldrich, Fancy Road, Poole, U.K.","5","P -1","-P 1","2","ciprofloxacin","","","- C17 H18 F N3 O3 -","- C17 H18 F N3 O3 -","- C34 H36 F2 N6 O6 -","2","1","","Fabbiani, Francesca P. A.; Dittrich, Birger; Florence, Alastair J.; Gelbrich, Thomas; Hursthouse, Michael B.; Kuhs, Werner F.; Shankland, Norman; Sowa, Heidrun","Crystal structures with a challenge: high-pressure crystallisation of ciprofloxacin sodium salts and their recovery to ambient pressure","CrystEngComm","2009","11","7","1396","","10.1039/b822987b","powder diffraction","","1.54056","CuKα~1~","","","","","","","","","","","","","","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200854","9.452","0.003","9.591","0.004","11.233","0.006","85.67","0.02","99.62","0.02","93.74","0.02","999.7","0.8","293","","293","","","","","","","","high-pressure crystallisation at 0.25 GPa","6","P -1","-P 1","2","","","","- C17 H27.5 F N3 Na0.5 O8 -","- C17 H17.5 F N3 Na0.5 O8 -","- C34 H35 F2 N6 Na O16 -","2","1","","Fabbiani, Francesca P. A.; Dittrich, Birger; Florence, Alastair J.; Gelbrich, Thomas; Hursthouse, Michael B.; Kuhs, Werner F.; Shankland, Norman; Sowa, Heidrun","Crystal structures with a challenge: high-pressure crystallisation of ciprofloxacin sodium salts and their recovery to ambient pressure","CrystEngComm","2009","11","7","1396","","10.1039/b822987b","","","0.71073","MoKα","","0.1299","0.1031","","0.277","0.2553","0.277","","","","","","0.9753","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200855","9.391","0.008","9.57","0.008","11.095","0.009","85.247","0.014","99.498","0.013","93.272","0.014","979.1","1.4","100","","100","","","","","","","","recovery of 2 to ambient pressure","6","P -1","-P 1","2","","","","- C17 H27.5 F N3 Na0.5 O8 -","- C17 H17.5 F N3 Na0.5 O8 -","- C34 H35 F2 N6 Na O16 -","2","1","","Fabbiani, Francesca P. A.; Dittrich, Birger; Florence, Alastair J.; Gelbrich, Thomas; Hursthouse, Michael B.; Kuhs, Werner F.; Shankland, Norman; Sowa, Heidrun","Crystal structures with a challenge: high-pressure crystallisation of ciprofloxacin sodium salts and their recovery to ambient pressure","CrystEngComm","2009","11","7","1396","","10.1039/b822987b","","","0.71073","MoKα","","0.1286","0.079","","0.23","0.1971","0.23","","","","","","0.8956","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200856","9.547","0.007","9.87","0.007","11.109","0.012","88.79","0.04","101.42","0.04","90.25","0.02","1025.8","1.5","293","","293","","","","","","","","high-pressure crystallisation at 0.6 GPa","6","P -1","-P 1","2","","","","- C17 H27 F N3 Na O8 -","- C17 H17 F N3 Na O8 -","- C34 H34 F2 N6 Na2 O16 -","2","1","","Fabbiani, Francesca P. A.; Dittrich, Birger; Florence, Alastair J.; Gelbrich, Thomas; Hursthouse, Michael B.; Kuhs, Werner F.; Shankland, Norman; Sowa, Heidrun","Crystal structures with a challenge: high-pressure crystallisation of ciprofloxacin sodium salts and their recovery to ambient pressure","CrystEngComm","2009","11","7","1396","","10.1039/b822987b","","","0.71073","MoKα","","0.096","0.078","","0.183","0.1741","0.183","","","","","","1.0043","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200857","11.065","0.01","13.155","0.012","13.879","0.012","90.983","0.014","98.941","0.014","93.181","0.014","1992","3","100","","100","","","","","","","","recovery of 4 to ambient pressure, first 100 K data collection","6","P -1","-P 1","2","","","","- C34 H54 F2 N6 Na2 O16 -","- C34 H34 F2 N6 Na2 O15.5 -","- C68 H68 F4 N12 Na4 O31 -","2","1","","Fabbiani, Francesca P. A.; Dittrich, Birger; Florence, Alastair J.; Gelbrich, Thomas; Hursthouse, Michael B.; Kuhs, Werner F.; Shankland, Norman; Sowa, Heidrun","Crystal structures with a challenge: high-pressure crystallisation of ciprofloxacin sodium salts and their recovery to ambient pressure","CrystEngComm","2009","11","7","1396","","10.1039/b822987b","","","0.71073","MoKα","","0.1919","0.1206","","0.3717","0.3214","0.3717","","","","","","0.9484","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200858","9.624","0.003","9.493","0.003","11.471","0.004","89.643","0.006","103.304","0.006","88.861","0.006","1019.6","0.6","100","","100","","","","","","","","recovery of 4 to ambient pressure, second 100 K data collection","6","P -1","-P 1","2","","","","- C34 H54 F2 N6 Na2 O16 -","- C34 H52 F2 N6 Na2 O16 -","- C34 H52 F2 N6 Na2 O16 -","1","0.5","","Fabbiani, Francesca P. A.; Dittrich, Birger; Florence, Alastair J.; Gelbrich, Thomas; Hursthouse, Michael B.; Kuhs, Werner F.; Shankland, Norman; Sowa, Heidrun","Crystal structures with a challenge: high-pressure crystallisation of ciprofloxacin sodium salts and their recovery to ambient pressure","CrystEngComm","2009","11","7","1396","","10.1039/b822987b","","","0.71073","MoKα","","0.0798","0.0542","","0.136","0.1242","0.136","","","","","","1.0012","","","","has coordinates,has disorder","291143","2024-04-09","08:49:04",""
"7200862","12.414","0.011","19.068","0.016","7.19","0.006","90","","99.28","0.02","90","","1680","2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","HG-I1 N-(m-methoxyphenyl)tetrazolone","","- C8 H8 N4 O2 -","- C8 H8 N4 O2 -","- C64 H64 N32 O16 -","8","2","","Rayat, Sundeep; Alawode, Olajide; Desper, John","Intermolecular interactions in the crystal structures of substituted tetrazolones","CrystEngComm","2009","11","9","1892","","10.1039/b823041b","","","0.71073","MoKα","","0.0997","0.0533","","","0.1435","0.1707","","","","","","1.016","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200863","10.1689","0.0003","6.9582","0.0002","12.1607","0.0004","90","","104.799","0.001","90","","831.91","0.04","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-methoxyphenyl)-1,5-dihydro-5H-tetrazolone","","- C8 H8 N4 O2 -","- C8 H8 N4 O2 -","- C32 H32 N16 O8 -","4","1","","Rayat, Sundeep; Alawode, Olajide; Desper, John","Intermolecular interactions in the crystal structures of substituted tetrazolones","CrystEngComm","2009","11","9","1892","","10.1039/b823041b","","","0.71073","MoKα","","0.0445","0.0399","","","0.1148","0.1205","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200864","8.8329","0.0005","13.1354","0.0008","16.0027","0.0009","90","","90","","90","","1856.69","0.19","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","HG864A 2-(3-methoxyphenyl)-5-methyl-tetrazolone","","- C9 H10 N4 O2 -","- C9 H10 N4 O2 -","- C72 H80 N32 O16 -","8","1","","Rayat, Sundeep; Alawode, Olajide; Desper, John","Intermolecular interactions in the crystal structures of substituted tetrazolones","CrystEngComm","2009","11","9","1892","","10.1039/b823041b","","","0.71073","MoKα","","0.0567","0.041","","","0.1158","0.1261","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200865","3.8317","0.0003","13.8861","0.0013","17.7714","0.0016","90","","90","","90","","945.57","0.14","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1-(4-methoxyphenyl)-4-methyl-1,5-dihydro-5H-tetrazolone","","- C9 H10 N4 O2 -","- C9 H10 N4 O2 -","- C36 H40 N16 O8 -","4","1","","Rayat, Sundeep; Alawode, Olajide; Desper, John","Intermolecular interactions in the crystal structures of substituted tetrazolones","CrystEngComm","2009","11","9","1892","","10.1039/b823041b","","","0.71073","MoKα","","0.0429","0.0378","","","0.103","0.1078","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200866","4.6812","0.0009","14.097","0.004","13.296","0.003","90","","99.967","0.007","90","","864.2","0.4","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H9 Cl N2 -","- C10 H9 Cl N2 -","- C40 H36 Cl4 N8 -","4","1","","Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine","CrystEngComm","2009","11","6","1133","1140","10.1039/b823058g","","","0.7107","MoKα","","0.03","0.029","","","0.079","0.08","","","","","","1.07","","","","has coordinates","218395","2020-10-21","18:00:00",""
"7200867","10.4386","0.0003","17.9769","0.0005","13.0512","0.0003","90","","108.987","0.002","90","","2315.86","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cl N2 -","- C12 H13 Cl N2 -","- C96 H104 Cl8 N16 -","8","2","","Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine","CrystEngComm","2009","11","6","1133","1140","10.1039/b823058g","","","0.7107","MoKα","","0.086","0.059","","","0.165","0.189","","","","","","1.07","","","","has coordinates","218395","2020-10-21","18:00:00",""
"7200868","9.3167","0.0003","20.4346","0.0011","25.3335","0.0015","90","","90","","90","","4823.1","0.4","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 Cl N2 -","- C13 H15 Cl N2 -","- C208 H240 Cl16 N32 -","16","2","","Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine","CrystEngComm","2009","11","6","1133","1140","10.1039/b823058g","","","0.7107","MoKα","","0.11","0.055","","","0.128","0.156","","","","","","1.04","","","","has coordinates","218395","2020-10-21","18:00:00",""
"7200869","4.6442","0.0012","17.67","0.004","13.313","0.003","90","","100.024","0.002","90","","1075.8","0.4","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C11 H10 Cl2 N2 -","- C11 H10 Cl2 N2 -","- C44 H40 Cl8 N8 -","4","1","","Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine","CrystEngComm","2009","11","6","1133","1140","10.1039/b823058g","","","0.6905","synchrotron","","0.038","0.038","","","0.104","0.105","","","","","","1.11","","","","has coordinates","218395","2020-10-21","18:00:00",""
"7200870","13.0426","0.0005","7.8693","0.0002","22.6276","0.0009","90","","90","","90","","2322.41","0.14","120","2","120","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H10 Cl N5 -","- C11 H10 Cl N5 -","- C88 H80 Cl8 N40 -","8","1","","Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine","CrystEngComm","2009","11","6","1133","1140","10.1039/b823058g","","","0.7107","MoKα","","0.067","0.051","","","0.096","0.105","","","","","","1.08","","","","has coordinates","218395","2020-10-21","18:00:00",""
"7200871","4.5721","0.0001","14.8383","0.0006","14.8932","0.0006","90","","93.546","0.003","90","","1008.45","0.06","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 Cl N2 O -","- C11 H11 Cl N2 O -","- C44 H44 Cl4 N8 O4 -","4","1","","Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine","CrystEngComm","2009","11","6","1133","1140","10.1039/b823058g","","","0.7107","MoKα","","0.071","0.041","","","0.091","0.104","","","","","","1.05","","","","has coordinates","218395","2020-10-21","18:00:00",""
"7200872","8.929","0.0003","15.0394","0.0005","9.2127","0.0002","90","","105.198","0.002","90","","1193.88","0.06","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl N2 O -","- C13 H15 Cl N2 O -","- C52 H60 Cl4 N8 O4 -","4","1","","Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine","CrystEngComm","2009","11","6","1133","1140","10.1039/b823058g","","","0.7107","MoKα","","0.044","0.036","","","0.086","0.09","","","","","","1.06","","","","has coordinates","218395","2020-10-21","18:00:00",""
"7200873","8.7612","0.0003","7.0756","0.0001","9.6622","0.0002","90","","95.644","0.001","90","","596.06","0.03","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H15 Cl N2 O -","- C13 H15 Cl N2 O -","- C26 H30 Cl2 N4 O2 -","2","1","","Kaiser, Carlos R.; Pais, Karla C.; de Souza, Marcus V. N.; Wardell, James L.; Wardell, Solange M. S. V.; Tiekink, Edward R. T.","Assessing the persistence of the N‒H⋯N hydrogen bonding leading to supramolecular chains in molecules related to the anti-malarial drug, chloroquine","CrystEngComm","2009","11","6","1133","1140","10.1039/b823058g","","","0.7107","MoKα","","0.032","0.03","","","0.071","0.073","","","","","","1.06","","","","has coordinates","218395","2020-10-21","18:00:00",""
"7200880","16.9103","0.0005","24.7509","0.0007","6.773","0.0002","90","","96.082","0.001","90","","2818.85","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Ag2 N5 O14 Sm -","- C24 H22 Ag2 N5 O14 Sm -","- C96 H88 Ag8 N20 O56 Sm4 -","4","1","","Cai, Yue-Peng; Yu, Qiong-Yan; Zhou, Zheng-Yuan; Hu, Zuo-Jun; Fang, Hua-Cai; Wang, Ning; Zhan, Qing-Guang; Chen, Li; Su, Cheng-Yong","Metal-directed assembly of two 2-D 4d‒4f coordination polymers based on elliptical triple-deck cylinders hinged by meso-double helical chains","CrystEngComm","2009","11","6","1006","","10.1039/b823457d","","","0.71073","MoKα","","0.0257","0.0222","","","0.048","0.0494","","","","","","1.021","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200881","16.8877","0.0003","24.7375","0.0006","6.7716","0.0001","90","","96.162","0.002","90","","2812.56","0.09","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 Ag2 Eu N5 O14 -","- C24 H22 Ag2 Eu N5 O14 -","- C96 H88 Ag8 Eu4 N20 O56 -","4","1","","Cai, Yue-Peng; Yu, Qiong-Yan; Zhou, Zheng-Yuan; Hu, Zuo-Jun; Fang, Hua-Cai; Wang, Ning; Zhan, Qing-Guang; Chen, Li; Su, Cheng-Yong","Metal-directed assembly of two 2-D 4d‒4f coordination polymers based on elliptical triple-deck cylinders hinged by meso-double helical chains","CrystEngComm","2009","11","6","1006","","10.1039/b823457d","","","0.71073","MoKα","","0.0238","0.0208","","","0.0478","0.0489","","","","","","1.012","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200882","7.5461","0.0015","13.0618","0.0008","17.32","0.005","97.189","0.013","92.502","0.015","100.548","0.012","1661.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H60 Ag4 N10 O36 Sm2 -","- C48 H60 Ag4 N10 O36 Sm2 -","- C48 H60 Ag4 N10 O36 Sm2 -","1","0.5","","Cai, Yue-Peng; Yu, Qiong-Yan; Zhou, Zheng-Yuan; Hu, Zuo-Jun; Fang, Hua-Cai; Wang, Ning; Zhan, Qing-Guang; Chen, Li; Su, Cheng-Yong","Metal-directed assembly of two 2-D 4d‒4f coordination polymers based on elliptical triple-deck cylinders hinged by meso-double helical chains","CrystEngComm","2009","11","6","1006","","10.1039/b823457d","","","0.71073","MoKα","","0.0694","0.0428","","","0.0998","0.1252","","","","","","1.033","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200883","7.5268","0.0008","13.047","0.003","17.351","0.004","97.295","0.016","92.252","0.015","100.496","0.01","1658.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H60 Ag4 Eu2 N10 O36 -","- C48 H60 Ag4 Eu2 N10 O36 -","- C48 H60 Ag4 Eu2 N10 O36 -","1","0.5","","Cai, Yue-Peng; Yu, Qiong-Yan; Zhou, Zheng-Yuan; Hu, Zuo-Jun; Fang, Hua-Cai; Wang, Ning; Zhan, Qing-Guang; Chen, Li; Su, Cheng-Yong","Metal-directed assembly of two 2-D 4d‒4f coordination polymers based on elliptical triple-deck cylinders hinged by meso-double helical chains","CrystEngComm","2009","11","6","1006","","10.1039/b823457d","","","0.71073","MoKα","","0.0435","0.0337","","","0.09","0.1039","","","","","","0.975","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200884","13.355","0.002","14.45","0.002","14.685","0.002","90.181","0.004","115.534","0.003","115.853","0.003","2236.5","0.6","273","2","273","2","","","","","","","","6","P -1","-P 1","2","((AgL1)(AgC2F5CO2)5(H2O)3)0.5H2O","","","- C48 H26 Ag12 F50 I2 O29 -","- C24 H13 Ag6 F25 I O14.5 -","- C48 H26 Ag12 F50 I2 O29 -","2","1","","Zang, Shuang-Quan; Cheng, Ping-Shing; Mak, Thomas C. W.","Silver⋯X‒aryl (X = I and Br) interaction in a network assembly with a flexible polynuclear silver‒ethynide supramolecular synthon","CrystEngComm","2009","11","6","1061","","10.1039/b900308h","","","0.71073","MoKα","","0.0957","0.0616","","","0.1481","0.162","","","","","","0.954","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200885","17.757","0.002","15.0645","0.0019","25.115","0.003","90","","90","","90","","6718.3","1.4","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","((AgL1)(AgCF3CO2)4(H2O)(CH3CH2CN))2","","","- C40 H26 Ag10 F24 I2 N2 O20 -","- C40 H26 Ag10 F24 I2 N2 O20 -","- C160 H104 Ag40 F96 I8 N8 O80 -","4","1","","Zang, Shuang-Quan; Cheng, Ping-Shing; Mak, Thomas C. W.","Silver⋯X‒aryl (X = I and Br) interaction in a network assembly with a flexible polynuclear silver‒ethynide supramolecular synthon","CrystEngComm","2009","11","6","1061","","10.1039/b900308h","","","0.71073","MoKα","","0.0622","0.0442","","","0.1084","0.115","","","","","","1.02","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200886","13.24","0.002","13.503","0.002","14.691","0.002","112.816","0.003","98.832","0.003","113.477","0.003","2067.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","((AgL2)(AgCF3CO2)6(H2O)3)H2O","","","- C21 H14 Ag7 Br F18 O17 -","- C21 H14 Ag7 Br F18 O17 -","- C42 H28 Ag14 Br2 F36 O34 -","2","1","","Zang, Shuang-Quan; Cheng, Ping-Shing; Mak, Thomas C. W.","Silver⋯X‒aryl (X = I and Br) interaction in a network assembly with a flexible polynuclear silver‒ethynide supramolecular synthon","CrystEngComm","2009","11","6","1061","","10.1039/b900308h","","","0.71073","MoKα","","0.0579","0.0497","","","0.1361","0.1415","","","","","","1.05","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200887","17.284","0.003","15.081","0.002","24.44","0.004","90","","90","","90","","6370.5","1.7","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","((AgL2)(AgCF3CO2)4(H2O)(CH3CN))2","","","- C38 H22 Ag10 Br2 F24 N2 O20 -","- C38 H22 Ag10 Br2 F24 N2 O20 -","- C152 H88 Ag40 Br8 F96 N8 O80 -","4","1","","Zang, Shuang-Quan; Cheng, Ping-Shing; Mak, Thomas C. W.","Silver⋯X‒aryl (X = I and Br) interaction in a network assembly with a flexible polynuclear silver‒ethynide supramolecular synthon","CrystEngComm","2009","11","6","1061","","10.1039/b900308h","","","0.71073","MoKα","","0.0912","0.0433","","","0.0924","0.1164","","","","","","1.014","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200888","25.0572","0.0007","16.6588","0.0007","15.0668","0.0005","90","","99.086","0.001","90","","6210.3","0.4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","((AgL2)(AgC2F5CO2)3(CH3CN))","","","- C20 H9 Ag4 Br F15 N O7 -","- C20 H9 Ag4 Br F15 N O7 -","- C160 H72 Ag32 Br8 F120 N8 O56 -","8","1","","Zang, Shuang-Quan; Cheng, Ping-Shing; Mak, Thomas C. W.","Silver⋯X‒aryl (X = I and Br) interaction in a network assembly with a flexible polynuclear silver‒ethynide supramolecular synthon","CrystEngComm","2009","11","6","1061","","10.1039/b900308h","","","0.71073","MoKα","","0.0485","0.0392","","","0.1194","0.127","","","","","","1.095","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200889","14.598","0.004","7.3645","0.0018","19.757","0.005","90","","98.849","0.004","90","","2098.7","0.9","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Ag Eu N2 O14 -","- C14 H18 Ag Eu N2 O14 -","- C56 H72 Ag4 Eu4 N8 O56 -","4","1","","Zhao, Xiao-Qing; Zhao, Bin; Shi, Wei; Cheng, Peng","Structures and luminescent properties of a series of Ln‒Ag heterometallic coordination polymers","CrystEngComm","2009","11","7","1261","","10.1039/b900430k","","","0.71073","MoKα","","0.0711","0.0573","","","0.1401","0.1496","","","","","","1.062","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200890","25.244","0.003","10.7134","0.0013","18.651","0.002","90","","122.111","0.002","90","","4272.5","0.9","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H31 Ag2 Ce N7 O13 -","- C41 H29 Ag2 Ce N7 O13 -","- C164 H116 Ag8 Ce4 N28 O52 -","4","0.5","","Zhao, Xiao-Qing; Zhao, Bin; Shi, Wei; Cheng, Peng","Structures and luminescent properties of a series of Ln‒Ag heterometallic coordination polymers","CrystEngComm","2009","11","7","1261","","10.1039/b900430k","","","0.71073","MoKα","","0.0501","0.0328","","","0.0652","0.0729","","","","","","1.024","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200891","14.8009","0.0016","10.7176","0.0011","12.8757","0.0014","90","","99.468","0.002","90","","2014.7","0.4","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 Ag N2 O13.5 Pr -","- C14 H15 Ag N2 O13.5 Pr -","- C56 H60 Ag4 N8 O54 Pr4 -","4","1","","Zhao, Xiao-Qing; Zhao, Bin; Shi, Wei; Cheng, Peng","Structures and luminescent properties of a series of Ln‒Ag heterometallic coordination polymers","CrystEngComm","2009","11","7","1261","","10.1039/b900430k","","","0.71073","MoKα","","0.0415","0.0315","","","0.0787","0.0832","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200892","14.621","0.002","7.3491","0.001","19.765","0.003","90","","98.776","0.002","90","","2098.9","0.5","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Ag N2 O14 Sm -","- C14 H18 Ag N2 O14 Sm -","- C56 H72 Ag4 N8 O56 Sm4 -","4","1","","Zhao, Xiao-Qing; Zhao, Bin; Shi, Wei; Cheng, Peng","Structures and luminescent properties of a series of Ln‒Ag heterometallic coordination polymers","CrystEngComm","2009","11","7","1261","","10.1039/b900430k","","","0.71073","MoKα","","0.054","0.0446","","","0.1085","0.1143","","","","","","1.007","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200893","14.5183","0.0017","7.364","0.0009","19.696","0.002","90","","99.02","0.002","90","","2079.7","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Ag Dy N2 O14 -","- C14 H18 Ag Dy N2 O14 -","- C56 H72 Ag4 Dy4 N8 O56 -","4","1","","Zhao, Xiao-Qing; Zhao, Bin; Shi, Wei; Cheng, Peng","Structures and luminescent properties of a series of Ln‒Ag heterometallic coordination polymers","CrystEngComm","2009","11","7","1261","","10.1039/b900430k","","","0.71073","MoKα","","0.042","0.0283","","","0.0557","0.0588","","","","","","1.075","","","","has coordinates,has disorder","180339","2020-10-21","18:00:00",""
"7200894","14.4474","0.0017","7.36","0.0008","19.48","0.003","90","","98.416","0.006","90","","2049.1","0.5","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Ag N2 O14 Tb -","- C14 H18 Ag N2 O14 Tb -","- C56 H72 Ag4 N8 O56 Tb4 -","4","1","","Zhao, Xiao-Qing; Zhao, Bin; Shi, Wei; Cheng, Peng","Structures and luminescent properties of a series of Ln‒Ag heterometallic coordination polymers","CrystEngComm","2009","11","7","1261","","10.1039/b900430k","","","0.7107","MoKα","","0.0377","0.0308","","","0.0765","0.0798","","","","","","1.072","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200895","14.656","0.003","7.3077","0.0015","19.705","0.004","90","","97.71","0.03","90","","2091.4","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Ag Ce N2 O14 -","- C14 H18 Ag Ce N2 O14 -","- C56 H72 Ag4 Ce4 N8 O56 -","4","1","","Zhao, Xiao-Qing; Zhao, Bin; Shi, Wei; Cheng, Peng","Structures and luminescent properties of a series of Ln‒Ag heterometallic coordination polymers","CrystEngComm","2009","11","7","1261","","10.1039/b900430k","","","0.71073","MoKα","","0.0302","0.0261","","","0.0606","0.0625","","","","","","1.084","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200896","14.582","0.003","7.3325","0.0015","19.606","0.004","90","","97.99","0.03","90","","2076","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Ag N2 Nd O14 -","- C14 H18 Ag N2 Nd O14 -","- C56 H72 Ag4 N8 Nd4 O56 -","4","1","","Zhao, Xiao-Qing; Zhao, Bin; Shi, Wei; Cheng, Peng","Structures and luminescent properties of a series of Ln‒Ag heterometallic coordination polymers","CrystEngComm","2009","11","7","1261","","10.1039/b900430k","","","0.71073","MoKα","","0.0304","0.0288","","","0.0685","0.0697","","","","","","1.052","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200897","9.5049","0.0003","9.5049","0.0003","6.9484","0.0006","90","","90","","120","","543.64","0.05","173","2","173","2","","","","","","","","6","P 63","P 6c","173","","","","- Bi2.5 F0.1 H0.9 Na2.5 O12.9 P3 -","- Bi2.502 F0.1 Na2.498 O12.9 P3 -","- Bi5.004 F0.2 Na4.996 O25.8 P6 -","2","0.333333","","Zhou, Yan; Huang, Ya-Xi; Pan, Yuanming; Mi, Jin-Xiao","Single-crystal microtubes of a novel apatite-type compound, (Na2.5Bi2.5)(PO4)3(F,OH), with well-faceted hexagonal cross sections","CrystEngComm","2009","11","9","1863","","10.1039/b900499h","","","0.71073","MoKα","","0.1073","0.0646","","","0.1065","0.1147","","","","","","1.145","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7200898","20.09","0.002","6.0758","0.0007","20.626","0.002","90","","111.267","0.002","90","","2346.2","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Ce2 O17 -","- C18 H18 Ce2 O17 -","- C72 H72 Ce8 O68 -","4","0.5","","Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang","2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2009","11","8","1642","","10.1039/b900522f","","","0.71073","MoKα","","0.0392","0.036","","","0.0959","0.0976","","","","","","1.057","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200899","19.9212","0.0019","6.0431","0.0005","20.525","0.0018","90","","111.164","0.003","90","","2304.3","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 O17 Pr2 -","- C18 H10 O17 Pr2 -","- C72 H40 O68 Pr8 -","4","0.5","","Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang","2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2009","11","8","1642","","10.1039/b900522f","","","0.71073","MoKα","","0.0361","0.0307","","","0.0731","0.0748","","","","","","1.089","","","","has coordinates","180339","2020-10-21","18:00:00",""
"7200900","19.831","0.0018","6.0329","0.0005","20.4964","0.0019","90","","111.096","0.002","90","","2287.8","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Nd2 O17 -","- C18 H18 Nd2 O17 -","- C72 H72 Nd8 O68 -","4","0.5","","Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang","2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2009","11","8","1642","","10.1039/b900522f","","","0.71073","MoKα","","0.0291","0.0236","","","0.0495","0.0509","","","","","","1.075","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200901","19.697","0.004","6.0193","0.0012","20.472","0.004","90","","110.89","0.03","90","","2267.7","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 O17 Sm2 -","- C18 H18 O17 Sm2 -","- C72 H72 O68 Sm8 -","4","0.5","","Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang","2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2009","11","8","1642","","10.1039/b900522f","","","0.71073","MoKα","","0.0315","0.028","","","0.0606","0.0619","","","","","","1.059","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200902","19.6326","0.0012","6.0048","0.0004","20.4684","0.0017","90","","110.895","0.004","90","","2254.3","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Eu2 O17 -","- C18 H18 Eu2 O17 -","- C72 H72 Eu8 O68 -","4","0.5","","Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang","2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2009","11","8","1642","","10.1039/b900522f","","","0.71073","MoKα","","0.0377","0.0336","","","0.0862","0.0884","","","","","","1.058","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200903","19.556","0.004","5.9957","0.0012","20.412","0.004","90","","110.82","0.03","90","","2237.1","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Gd2 O17 -","- C18 H18 Gd2 O17 -","- C72 H72 Gd8 O68 -","4","0.5","","Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang","2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2009","11","8","1642","","10.1039/b900522f","","","0.71073","MoKα","","0.0212","0.0193","","","0.0478","0.0599","","","","","","1.031","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200904","6.6743","0.0004","7.6033","0.0005","11.003","0.0006","100.21","0.004","103.892","0.004","106.921","0.004","499.87","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H3 K O9 Tb -","- C7 H3 K O9 Tb -","- C14 H6 K2 O18 Tb2 -","2","1","","Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang","2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2009","11","8","1642","","10.1039/b900522f","","","0.71073","MoKα","","0.0261","0.024","","","0.0609","0.0619","","","","","","1.055","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200905","6.656","0.0002","7.5778","0.0003","10.9904","0.0003","100.325","0.002","103.827","0.002","106.904","0.002","496.21","0.03","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H3 Dy K O9 -","- C7 H3 Dy K O9 -","- C14 H6 Dy2 K2 O18 -","2","1","","Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang","2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2009","11","8","1642","","10.1039/b900522f","","","0.71073","MoKα","","0.029","0.0249","","","0.0556","0.0568","","","","","","1","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200906","10.4541","0.0007","11.7756","0.0008","12.3649","0.0009","93.806","0.001","112.65","0.001","98.558","0.001","1376.3","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Ce2 K O17 -","- C25 H12 Ce2 K O17 -","- C50 H24 Ce4 K2 O34 -","2","1","","Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang","2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2009","11","8","1642","","10.1039/b900522f","","","0.71073","MoKα","","0.04","0.0348","","","0.097","0.1072","","","","","","1.108","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200907","10.3647","0.0007","11.5338","0.0008","12.2664","0.0008","82.082","0.001","65.019","0.001","84.319","0.001","1315.16","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 K O17 Pr2 -","- C25 H12 K O17 Pr2 -","- C50 H24 K2 O34 Pr4 -","2","1","","Yang, Qing-Feng; Yu, Yang; Song, Tian-You; Yu, Jie-Hui; Zhang, Xiao; Xu, Ji-Qing; Wang, Tie-Gang","2D and 3D networks of lanthanide with mixed dicarboxylate ligands: syntheses, crystal structures and photoluminescent properties","CrystEngComm","2009","11","8","1642","","10.1039/b900522f","","","0.71073","MoKα","","0.0344","0.0302","","","0.0878","0.0907","","","","","","1.09","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200908","8.954","0.002","22.026","0.005","13.64","0.003","90","","95.57","0.004","90","","2677.4","1","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 N3 O25 Yb2 -","- C12 H26 N3 O25 Yb2 -","- C48 H104 N12 O100 Yb8 -","4","1","","Quan, Ying-Ping; Zhao, Li-Hua; Yang, Ai-Hong; Cui, Jian-Zhong; Gao, Hong-Ling; Lu, Fan-Li; Shi, Wei; Cheng, Peng","Novel lanthanide coordination polymers based on bis-tridentate chelator pyrazine-2,3,5,6-tetracarboxylate with nano-channels and water clusters","CrystEngComm","2009","11","8","1679","","10.1039/b900618d","","","0.7107","MoKα","","0.048","0.0438","","","0.0992","0.1012","","","","","","1.16","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200909","9.1432","0.0018","22.304","0.005","13.692","0.003","90","","90.43","0.03","90","","2792.1","1","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H27 Lu2 N3 O25.5 -","- C12 H12 Lu2 N3 O25.5 -","- C48 H48 Lu8 N12 O102 -","4","1","","Quan, Ying-Ping; Zhao, Li-Hua; Yang, Ai-Hong; Cui, Jian-Zhong; Gao, Hong-Ling; Lu, Fan-Li; Shi, Wei; Cheng, Peng","Novel lanthanide coordination polymers based on bis-tridentate chelator pyrazine-2,3,5,6-tetracarboxylate with nano-channels and water clusters","CrystEngComm","2009","11","8","1679","","10.1039/b900618d","","","0.71073","MoKα","","0.0947","0.0797","","","0.2048","0.2165","","","","","","1.063","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200910","8.9399","0.0018","22.103","0.004","13.693","0.003","90","","95.46","0.03","90","","2693.4","0.9","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 Er2 N3 O25 -","- C12 H26 Er2 N3 O25 -","- C48 H104 Er8 N12 O100 -","4","1","","Quan, Ying-Ping; Zhao, Li-Hua; Yang, Ai-Hong; Cui, Jian-Zhong; Gao, Hong-Ling; Lu, Fan-Li; Shi, Wei; Cheng, Peng","Novel lanthanide coordination polymers based on bis-tridentate chelator pyrazine-2,3,5,6-tetracarboxylate with nano-channels and water clusters","CrystEngComm","2009","11","8","1679","","10.1039/b900618d","","","0.71073","MoKα","","0.0409","0.0373","","","0.0749","0.0767","","","","","","1.133","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200915","8.4438","0.0003","10.0791","0.0004","19.41","0.0006","90","","92.264","0.001","90","","1650.62","0.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Ag Cu2 N2 O12 -","- C14 H9 Ag Cu2 N2 O12 -","- C56 H36 Ag4 Cu8 N8 O48 -","4","1","","Zou, Jian-Ping; Zhou, Guo-Wei; Zhang, Xing; Wang, Ming-Sheng; Lu, Ying-Bing; Zhou, Wei-Wei; Zhang, Zhang-Jing; Guo, Guo-Cong; Huang, Jin-Shun","A novel heterometal‒organic coordination polymer with chelidamic acid: nonlinear optical and magnetic properties,","CrystEngComm","2009","11","6","972","","10.1039/b900727j","","","0.71073","MoKα","","0.0382","0.0301","","","0.0747","0.0795","","","","","","1.009","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200917","22.763","0.003","4.9872","0.0005","13.6097","0.0015","90","","95.969","0.002","90","","1536.6","0.3","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H14 O2 S -","- C21 H14 O2 S -","- C84 H56 O8 S4 -","4","1","","Imai, Yoshitane; Kinuta, Takafumi; Nagasaki, Keiko; Harada, Takunori; Sato, Tomohiro; Tajima, Nobuo; Sasaki, Yoh; Kuroda, Reiko; Matsubara, Yoshio","Conformational and color polymorphism of achiral 2-methyl-3-(2-naphthalenylthio)-1,4-naphthalenedione","CrystEngComm","2009","11","7","1223","","10.1039/b900806c","","","0.71073","MoKα","","0.0561","0.0472","","","0.1192","0.1259","","","","","","1.062","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200918","8.0141","0.0017","5.8339","0.0012","16.979","0.004","90","","97.228","0.003","90","","787.5","0.3","115","2","115","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H14 O2 S -","- C21 H14 O2 S -","- C42 H28 O4 S2 -","2","1","","Imai, Yoshitane; Kinuta, Takafumi; Nagasaki, Keiko; Harada, Takunori; Sato, Tomohiro; Tajima, Nobuo; Sasaki, Yoh; Kuroda, Reiko; Matsubara, Yoshio","Conformational and color polymorphism of achiral 2-methyl-3-(2-naphthalenylthio)-1,4-naphthalenedione","CrystEngComm","2009","11","7","1223","","10.1039/b900806c","","","0.71073","MoKα","","0.0458","0.0402","","","0.0933","0.0968","","","","","","1.024","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200920","8.1953","0.0014","16.005","0.003","12.769","0.002","90","","99.83","0.003","90","","1650.3","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N O2 -","- C20 H25 N O2 -","- C80 H100 N4 O8 -","4","1","","Jacobs, Tia; Lloyd, Gareth O.; Bredenkamp, Martin W.; Barbour, Leonard J.","Breaking the trigonal host packing motif of Dianin's compound","CrystEngComm","2009","11","8","1545","","10.1039/b900954j","","","0.71073","MoKα","","0.0711","0.0509","","","0.1002","0.1072","","","","","","0.958","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200921","15.436","0.0018","12.9411","0.0015","10.3343","0.0012","90","","100.8","0.002","90","","2027.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 N O2 -","- C23 H31 N O2 -","- C92 H124 N4 O8 -","4","1","","Jacobs, Tia; Lloyd, Gareth O.; Bredenkamp, Martin W.; Barbour, Leonard J.","Breaking the trigonal host packing motif of Dianin's compound","CrystEngComm","2009","11","8","1545","","10.1039/b900954j","","","0.71073","MoKα","","0.064","0.0477","","","0.1154","0.1226","","","","","","0.984","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200931","11.321","0.002","11.321","0.002","19.872","0.003","90","0.005","90","0.005","120","0.005","2205.7","0.7","293","2","293","2","","","","","","","","5","P 32 2 1","P 32 2""","154","","","","- C20 H26 N8 O14 Zn3 -","- C20 H16 N8 O14 Zn3 -","- C60 H48 N24 O42 Zn9 -","3","0.5","","Xu, Yan-Hong; Lan, Ya-Qian; Wu, Shui-Xing; Shao, Kui-Zhan; Su, Zhong-Min; Liao, Yi","Unprecedented interweaving of single-helical chains into a chiral metal‒organic framework based on a flexible ligand","CrystEngComm","2009","11","8","1711","","10.1039/b901042d","","","0.71069","MoKα","","0.0652","0.0521","","","0.1397","0.1521","","","","","","1.033","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200932","36.367","0.0016","9.2645","0.0003","16.8012","0.0007","90","","109.829","0.002","90","","5325.1","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C256 H208 N48 O16 -","16","2","","Baudron, Stéphane A.; Salazar-Mendoza, Domingo; Hosseini, Mir Wais","Combination of primary amide and dipyrrin for the elaboration of extended architectures built upon both coordination and hydrogen bonding","CrystEngComm","2009","11","7","1245","","10.1039/b901167f","","","0.71073","MoKα","","0.0958","0.0555","","","0.1234","0.1534","","","","","","1.028","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200933","8.313","0.0003","9.5783","0.0003","9.802","0.0003","80.064","0.002","65.596","0.002","74.133","0.002","682.08","0.04","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C32 H30 N6 O2 -","2","1","","Baudron, Stéphane A.; Salazar-Mendoza, Domingo; Hosseini, Mir Wais","Combination of primary amide and dipyrrin for the elaboration of extended architectures built upon both coordination and hydrogen bonding","CrystEngComm","2009","11","7","1245","","10.1039/b901167f","","","0.71073","MoKα","","0.0604","0.0444","","","0.1167","0.1456","","","","","","1.11","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200934","22.9322","0.0012","15.8716","0.0008","10.2807","0.0005","90","","105.494","0.001","90","","3605.9","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H40 Cu N6 O4 -","- C40 H40 Cu N6 O4 -","- C160 H160 Cu4 N24 O16 -","4","0.5","","Baudron, Stéphane A.; Salazar-Mendoza, Domingo; Hosseini, Mir Wais","Combination of primary amide and dipyrrin for the elaboration of extended architectures built upon both coordination and hydrogen bonding","CrystEngComm","2009","11","7","1245","","10.1039/b901167f","","","0.71073","MoKα","","0.0661","0.0521","","","0.1398","0.1628","","","","","","1.103","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200935","22.9849","0.0016","16.1578","0.0013","10.2185","0.0008","90","","106.103","0.003","90","","3646.1","0.5","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H26 Cl6 Cu N6 O2 -","- C34 H26 Cl6 Cu N6 O2 -","- C136 H104 Cl24 Cu4 N24 O8 -","4","0.5","","Baudron, Stéphane A.; Salazar-Mendoza, Domingo; Hosseini, Mir Wais","Combination of primary amide and dipyrrin for the elaboration of extended architectures built upon both coordination and hydrogen bonding","CrystEngComm","2009","11","7","1245","","10.1039/b901167f","","","0.71073","MoKα","","0.1315","0.0615","","","0.1498","0.2011","","","","","","0.98","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200936","9.9609","0.0003","13.6458","0.0003","14.1783","0.0003","103.315","0.001","97.276","0.002","95.44","0.002","1844.87","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H40 N6 O6 Zn -","- C40 H40 N6 O6 Zn -","- C80 H80 N12 O12 Zn2 -","2","1","","Baudron, Stéphane A.; Salazar-Mendoza, Domingo; Hosseini, Mir Wais","Combination of primary amide and dipyrrin for the elaboration of extended architectures built upon both coordination and hydrogen bonding","CrystEngComm","2009","11","7","1245","","10.1039/b901167f","","","0.71073","MoKα","","0.092","0.0642","","","0.1489","0.1781","","","","","","1.033","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200937","13.536","0.0008","13.8314","0.0004","14.2718","0.0004","111.843","0.001","102.397","0.002","104.374","0.002","2258.1","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H50 Cu2 N6 O9 -","- C48 H50 Cu2 N6 O9 -","- C96 H100 Cu4 N12 O18 -","2","1","","Baudron, Stéphane A.; Salazar-Mendoza, Domingo; Hosseini, Mir Wais","Combination of primary amide and dipyrrin for the elaboration of extended architectures built upon both coordination and hydrogen bonding","CrystEngComm","2009","11","7","1245","","10.1039/b901167f","","","0.71073","MoKα","","0.0698","0.0459","","","0.1163","0.1431","","","","","","1.116","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200938","13.4382","0.0005","21.1339","0.0008","12.3217","0.0004","90","","114.358","0.001","90","","3187.9","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H27 Cl3 Co N5 O3 -","- C33 H27 Cl3 Co N5 O3 -","- C132 H108 Cl12 Co4 N20 O12 -","4","1","","Baudron, Stéphane A.; Salazar-Mendoza, Domingo; Hosseini, Mir Wais","Combination of primary amide and dipyrrin for the elaboration of extended architectures built upon both coordination and hydrogen bonding","CrystEngComm","2009","11","7","1245","","10.1039/b901167f","","","0.71073","MoKα","","0.1305","0.0881","","","0.2598","0.293","","","","","","1.06","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200939","23.4552","0.0004","17.1577","0.0003","17.1153","0.0003","90","","90","","90","","6887.8","0.2","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C36.5 H35 Co N5 O4.5 -","- C36.5 H35 Co N5 O4.5 -","- C292 H280 Co8 N40 O36 -","8","1","","Baudron, Stéphane A.; Salazar-Mendoza, Domingo; Hosseini, Mir Wais","Combination of primary amide and dipyrrin for the elaboration of extended architectures built upon both coordination and hydrogen bonding","CrystEngComm","2009","11","7","1245","","10.1039/b901167f","","","0.71073","MoKα","","0.0895","0.0611","","","0.1743","0.1986","","","","","","1.091","","","","has coordinates","208944","2020-10-21","18:00:00",""
"7200940","8.587","0.0012","20.054","0.003","9.8062","0.0013","90","","90.701","0.003","90","","1688.5","0.4","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Li2 O10 P2 Zn2 -","- C14 H8 Li2 O10 P2 Zn2 -","- C56 H32 Li8 O40 P8 Zn8 -","4","1","","Li, Jin-Tang; Guo, Li-Rong; Shen, Yang; Zheng, Li-Min","LiF-assisted crystallization of zinc 4-carboxyphenylphosphonates with pillared layered structures","CrystEngComm","2009","11","8","1674","","10.1039/b901332f","","","0.71073","MoKα","","0.074","0.0458","","","0.0945","0.0989","","","","","","1.004","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7200941","5.8011","0.001","19.139","0.004","8.5616","0.0015","90","","102.086","0.004","90","","929.5","0.3","291","2","291","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H4 F O5 P Zn2 -","- C7 H4 F O5 P Zn2 -","- C28 H16 F4 O20 P4 Zn8 -","4","1","","Li, Jin-Tang; Guo, Li-Rong; Shen, Yang; Zheng, Li-Min","LiF-assisted crystallization of zinc 4-carboxyphenylphosphonates with pillared layered structures","CrystEngComm","2009","11","8","1674","","10.1039/b901332f","","","0.71073","MoKα","","0.0741","0.0564","","","0.1187","0.1253","","","","","","1.075","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7200942","10.444","0.002","11.213","0.002","12.233","0.002","79.66","0.03","71.61","0.03","87.54","0.03","1337.2","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H52 Co La2 N4 O24 S4 -","- C38 H52 Co La2 N4 O24 S4 -","- C38 H52 Co La2 N4 O24 S4 -","1","0.5","","Chen, Wen-Xian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Ionothermal synthesis of 3d‒4f and 4f layered anionic metal‒organic frameworks","CrystEngComm","2009","11","8","1522","","10.1039/b901404g","","","0.71073","MoKα","","0.0466","0.0426","","","0.1193","0.1255","","","","","","1.088","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200943","24.509","0.006","9.835","0.002","7.5626","0.0019","90","","90","","90","","1822.9","0.7","123","2","123","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C14 H14 Br Cl La N3 O6 -","- C14 H14 Br Cl La N3 O6 -","- C56 H56 Br4 Cl4 La4 N12 O24 -","4","1","","Chen, Wen-Xian; Ren, Yan-Ping; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun","Ionothermal synthesis of 3d‒4f and 4f layered anionic metal‒organic frameworks","CrystEngComm","2009","11","8","1522","","10.1039/b901404g","","","0.71073","MoKα","","0.0627","0.0546","","","0.1328","0.138","","","","","","1.1","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200944","11.2948","0.0002","9.6915","0.0002","10.2869","0.0003","90","","97.856","0.001","90","","1115.47","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 N3 O4 Zn -","- C10 H7 N3 O4 Zn -","- C40 H28 N12 O16 Zn4 -","4","1","","Song, Zhe; Gao, Hongze; Li, Guanghua; Yu, Yang; Shi, Zhan; Feng, Shouhua","Influence of noncovalent intermolecular interactions on crystal packing: syntheses and crystal structures of three layered Zn(ii)/1,2,4-triazole/carboxylate coordination polymers","CrystEngComm","2009","11","8","1579","","10.1039/b901445d","","","0.71073","MoKα","","0.0281","0.0216","","","0.0587","0.062","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200945","9.7277","0.0003","9.7907","0.0003","23.6034","0.001","78.835","0.002","78.848","0.002","88.953","0.002","2163.39","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H25 F4 N12 O8.5 Zn4 -","- C36 H24 F4 N12 O8.5 Zn4 -","- C72 H48 F8 N24 O17 Zn8 -","2","1","","Song, Zhe; Gao, Hongze; Li, Guanghua; Yu, Yang; Shi, Zhan; Feng, Shouhua","Influence of noncovalent intermolecular interactions on crystal packing: syntheses and crystal structures of three layered Zn(ii)/1,2,4-triazole/carboxylate coordination polymers","CrystEngComm","2009","11","8","1579","","10.1039/b901445d","","","0.71073","MoKα","","0.1204","0.0656","","","0.169","0.2021","","","","","","1.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200946","13.7305","0.0009","13.7537","0.0012","23.967","0.002","90","","92.89","0.005","90","","4520.3","0.6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H24 Cl4 N12 O8 Zn4 -","- C36 H24 Cl4 N12 O8 Zn4 -","- C144 H96 Cl16 N48 O32 Zn16 -","4","1","","Song, Zhe; Gao, Hongze; Li, Guanghua; Yu, Yang; Shi, Zhan; Feng, Shouhua","Influence of noncovalent intermolecular interactions on crystal packing: syntheses and crystal structures of three layered Zn(ii)/1,2,4-triazole/carboxylate coordination polymers","CrystEngComm","2009","11","8","1579","","10.1039/b901445d","","","0.71073","MoKα","","0.0782","0.0608","","","0.1487","0.1621","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200947","5.749","0.003","6.541","0.003","9.903","0.005","80.4","0.02","78.7","0.02","71.71","0.03","344.5","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","1","","- C12 H20 N2 O6 -","- C12 H20 N2 O6 -","- C12 H20 N2 O6 -","1","0.5","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.71073","MoKα","","0.1812","0.0722","","","0.1665","0.2185","","","","","","0.984","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200948","5.1062","0.0011","18.198","0.004","10.432","0.002","90","","97.06","0.002","90","","962","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","10","","- C7 H12 N2 O7 -","- C7 H12 N2 O7 -","- C28 H48 N8 O28 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.671","synchrotron","","0.0668","0.0439","","","0.1082","0.1202","","","","","","1.029","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200949","31.3779","0.0013","12.3307","0.0006","7.16","0.0003","90","","92.968","0.002","90","","2766.6","0.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","11","","- C11 H14 N2 O9 -","- C11 H14 N2 O9 -","- C88 H112 N16 O72 -","8","2","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.71073","MoKα","","0.2044","0.1184","","","0.1928","0.2395","","","","","","1.064","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200950","11.6287","0.0003","5.1904","0.0002","11.9417","0.0003","90","","108.971","0.002","90","","681.62","0.04","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2","","- C12 H18 N2 O6 -","- C12 H18 N2 O6 -","- C24 H36 N4 O12 -","2","0.5","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.71073","MoKα","","0.0717","0.0531","","","0.1011","0.1107","","","","","","1.089","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200951","8.322","0.004","11.203","0.005","11.915","0.005","90","","97.79","0.03","90","","1100.6","0.9","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3","","- C8 H14 N4 O6 -","- C8 H14 N4 O6 -","- C32 H56 N16 O24 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.71073","MoKα","","0.2012","0.1421","","","0.2116","0.2343","","","","","","1.243","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200952","5.5097","0.0015","9.529","0.002","13.03","0.003","104.839","0.003","91.938","0.003","95.093","0.003","657.5","0.3","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","4","","- C10 H18 N4 O6 -","- C10 H18 N4 O6 -","- C20 H36 N8 O12 -","2","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.6905","synchrotron","","0.0626","0.0507","","","0.1386","0.1486","","","","","","1.035","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200953","7.7814","0.0003","22.3584","0.0011","9.1957","0.0005","90","","103.329","0.003","90","","1556.77","0.13","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5","","- C12 H22 N4 O6 -","- C12 H22 N4 O6 -","- C48 H88 N16 O24 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.71073","MoKα","","0.1552","0.0934","","","0.1574","0.188","","","","","","1.133","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200954","16.6403","0.001","14.4382","0.0005","7.6872","0.0005","90","","117.299","0.002","90","","1641.2","0.16","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","6","","- C12 H22 N6 O7 -","- C12 H22 N6 O7 -","- C48 H88 N24 O28 -","4","0.5","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.71073","MoKα","","0.0786","0.0473","","","0.1136","0.1295","","","","","","1.043","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200955","5.3007","0.0004","19.374","0.002","10.078","0.0009","90","","94.012","0.006","90","","1032.43","0.16","120","2","120","2","","","","","","","","4","C 1 c 1","C -2yc","9","","7","","- C8 H14 N2 O5 -","- C8 H14 N2 O5 -","- C32 H56 N8 O20 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.71073","MoKα","","0.0559","0.0421","","","0.1024","0.1112","","","","","","1.07","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200956","6.8156","0.0006","12.7537","0.0012","14.1899","0.0011","90","","90","","90","","1233.44","0.19","120","2","120","2","","","","","","","","4","C m c m","-C 2c 2","63","8","8","","- C10 H18 N2 O5 -","- C10 H18 N2 O5 -","- C40 H72 N8 O20 -","4","0.25","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.71073","MoKα","","0.0896","0.0591","","","0.1117","0.1283","","","","","","1.171","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200957","5.388","0.0013","9.921","0.003","18.265","0.005","90","","90","","90","","976.3","0.5","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9","","- C7 H12 N2 O7 -","- C7 H12 N2 O7 -","- C28 H48 N8 O28 -","4","1","","Callear, Samantha K.; Hursthouse, Michael B.; Threlfall, Terence L.","Co-crystallisation of organic α,ω-dicarboxylic acids with the cyclic amides 2-pyrrolidinone and 2-imidazolidinone","CrystEngComm","2009","11","8","1609","","10.1039/b901453e","","","0.6895","synchrotron","","0.0318","0.0307","","","0.0825","0.0836","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200958","13.087","0.004","23.552","0.006","13.954","0.004","90","","97.012","0.005","90","","4269","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H50 N2 Ni O21 -","- C34 H32 N2 Ni O21 -","- C136 H128 N8 Ni4 O84 -","4","1","","Yao, Qing-Xia; Jin, Xu-Hui; Ju, Zhan-Feng; Zhang, Hai-Xia; Zhang, Jie","Supramolecular Borromean sheet consisting of threefold parallel interwoven 44-sql layers assembled by a flexible bipyridinium ligand","CrystEngComm","2009","11","8","1502","1504","10.1039/b901516g","","","0.71073","MoKα","","0.0855","0.075","","","0.2307","0.2444","","","","","","1.069","","","","has coordinates","218496","2020-10-21","18:00:00",""
"7200959","13.475","0.003","14.578","0.003","16.099","0.003","97.934","0.004","113.562","0.004","106.287","0.004","2667.7","1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H82 Cu4 N16 O29 S4 -","- C104 H82 Cu4.001 N16 O29 S4 -","- C104 H82 Cu4.001 N16 O29 S4 -","1","0.5","","Wen, Gui-Lin; Wang, Yao-Yu; Zhang, Ya-Nan; Yang, Guo-Ping; Fu, Ai-Yun; Shi, Qi-Zhen","A novel polythreaded metal‒organic framework with inherent features of different side arms and five-fold interpenetration","CrystEngComm","2009","11","8","1519","","10.1039/b901529a","","","0.71073","MoKα","","0.1503","0.0602","","","0.1239","0.1516","","","","","","0.994","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200960","26.8795","0.0012","19.1415","0.0008","21.2041","0.0009","90","","122.078","0.002","90","","9244.2","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Polymeric tetra-mu-formato-diaqua-3.5kis(4,4- bipyridyl)trizinc(ii) bis(perchlorate)dihydrate","","","- C39 H40 Cl2 N7 O20 Zn3 -","- C39 H36 Cl2 N7 O20 Zn3 -","- C312 H288 Cl16 N56 O160 Zn24 -","8","1","","Phuengphai, Pongthipun; Youngme, Sujittra; Kongsaeree, Palangpon; Pakawatchai, Chaveng; Chaichit, Narongsak; Teat, Simon J.; Gamez, Patrick; Reedijk, Jan","Drastic steric effects from, respectively, a hydrogen, a methyl and an ethyl group on the coordination network of a zinc(II)‒4,4′-bipyridine‒carboxylato ternary system","CrystEngComm","2009","11","8","1723","","10.1039/b901607d","","","0.71073","MoKα","","0.0623","0.0465","","","0.1116","0.1206","","","","","","1.03","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200961","10.6952","0.0007","11.4831","0.0007","11.7638","0.0007","101.558","0.002","116.757","0.002","95.574","0.002","1234.58","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","Polymeric tetra-mu-acetato-diaqua-tris(4,4- bipyridyl)trizinc(ii) bis(hexafluorophosphate)monohydrate","","","- C38 H44 F12 N6 O12 P2 Zn3 -","- C38 H40 F12 N6 O12 P2 Zn3 -","- C38 H40 F12 N6 O12 P2 Zn3 -","1","0.5","","Phuengphai, Pongthipun; Youngme, Sujittra; Kongsaeree, Palangpon; Pakawatchai, Chaveng; Chaichit, Narongsak; Teat, Simon J.; Gamez, Patrick; Reedijk, Jan","Drastic steric effects from, respectively, a hydrogen, a methyl and an ethyl group on the coordination network of a zinc(II)‒4,4′-bipyridine‒carboxylato ternary system","CrystEngComm","2009","11","8","1723","","10.1039/b901607d","","","0.71073","MoKα","","0.0895","0.0648","","","0.1666","0.1867","","","","","","1.007","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200962","18.506","0.004","18.838","0.004","25.568","0.005","90","","119.9","0.03","90","","7727","4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Polymeric tetra-mu-propionato-tetrakis(4,4- bipyridyl)trizinc(ii) bis(perchlorate)bis(4,4-bipyridyl)tetrahydrate","","","- C72 H76 Cl2 N12 O20 Zn3 -","- C72 H76 Cl2 N12 O20 Zn3 -","- C288 H304 Cl8 N48 O80 Zn12 -","4","1","","Phuengphai, Pongthipun; Youngme, Sujittra; Kongsaeree, Palangpon; Pakawatchai, Chaveng; Chaichit, Narongsak; Teat, Simon J.; Gamez, Patrick; Reedijk, Jan","Drastic steric effects from, respectively, a hydrogen, a methyl and an ethyl group on the coordination network of a zinc(II)‒4,4′-bipyridine‒carboxylato ternary system","CrystEngComm","2009","11","8","1723","","10.1039/b901607d","","","0.71073","MoKα","","0.0897","0.0562","","","0.1223","0.1332","","","","","","1.023","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200965","8.4645","0.0018","9.117","0.002","11.632","0.002","110.885","0.006","90.108","0.003","104.698","0.005","807","0.3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H26 Cl2 Mn N14 S2 -","- C19 H26 Cl2 Mn N14 S2 -","- C19 H26 Cl2 Mn N14 S2 -","1","0.5","","Zhu, Xia; Liu, Xun-Gao; Li, Bao-Long; Zhang, Yong","Solvent-controlled assembly of supramolecular isomers: 2D (4,4) network, 1D ribbons of ring, and both 2D (4,4) networks and 1D ribbons of rings polycatenated in a 3D array","CrystEngComm","2009","11","6","997","","10.1039/b901780c","","","0.71073","MoKα","","0.0791","0.0728","","","0.2019","0.208","","","","","","1.054","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200966","8.6873","0.001","8.9324","0.0011","10.5653","0.0015","82.685","0.008","84.302","0.009","70.617","0.006","765.66","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H30 Mn N16 O4 S2 -","- C20 H30 Mn N16 O4 S2 -","- C20 H30 Mn N16 O4 S2 -","1","0.5","","Zhu, Xia; Liu, Xun-Gao; Li, Bao-Long; Zhang, Yong","Solvent-controlled assembly of supramolecular isomers: 2D (4,4) network, 1D ribbons of ring, and both 2D (4,4) networks and 1D ribbons of rings polycatenated in a 3D array","CrystEngComm","2009","11","6","997","","10.1039/b901780c","","","0.71073","MoKα","","0.0476","0.0382","","","0.0882","0.094","","","","","","1.06","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200967","9.0938","0.0017","10.587","0.002","13.567","0.003","103.854","0.004","100.129","0.005","99.92","0.004","1216.6","0.4","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 Mn2 N28 S4 -","- C36 H48 Mn2 N28 S4 -","- C36 H48 Mn2 N28 S4 -","1","0.5","","Zhu, Xia; Liu, Xun-Gao; Li, Bao-Long; Zhang, Yong","Solvent-controlled assembly of supramolecular isomers: 2D (4,4) network, 1D ribbons of ring, and both 2D (4,4) networks and 1D ribbons of rings polycatenated in a 3D array","CrystEngComm","2009","11","6","997","","10.1039/b901780c","","","0.71073","MoKα","","0.0364","0.0305","","","0.0693","0.0722","","","","","","1.053","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200970","13.559","0.005","11.37","0.005","19.264","0.008","90","","90","","90","","2970","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H23 B F4 S -","- C11 H23 B F4 S -","- C88 H184 B8 F32 S8 -","8","1","","Destro, Riccardo; Ortoleva, Emanuele; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo","Detection and kinetics of the single-crystal to single-crystal complete transformation of a thiiranium ion into thietanium ion","Physical Chemistry Chemical Physics","2009","11","33","7181","7188","10.1039/b901928f","","","0.71073","MoKα","","0.1456","0.0863","","","0.1888","0.2157","","","","","","1.173","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200971","13.626","0.004","11.655","0.004","18.899","0.007","90","","90","","90","","3001.4","1.8","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H23 B F4 S -","- C11 H23 B F4 S -","- C88 H184 B8 F32 S8 -","8","1","","Destro, Riccardo; Ortoleva, Emanuele; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo","Detection and kinetics of the single-crystal to single-crystal complete transformation of a thiiranium ion into thietanium ion","Physical Chemistry Chemical Physics","2009","11","33","7181","7188","10.1039/b901928f","","","0.71073","MoKα","","0.3009","0.0942","","","0.1435","0.2054","","","","","","0.993","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200972","13.563","0.003","11.474","0.004","19.182","0.007","90","","90","","90","","2985.1","1.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H23 B F4 S -","- C11 H23 B F4 S -","- C88 H184 B8 F32 S8 -","8","1","","Destro, Riccardo; Ortoleva, Emanuele; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo","Detection and kinetics of the single-crystal to single-crystal complete transformation of a thiiranium ion into thietanium ion","Physical Chemistry Chemical Physics","2009","11","33","7181","7188","10.1039/b901928f","","","0.71073","MoKα","","0.2846","0.0963","","","0.1665","0.2403","","","","","","0.933","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200973","13.55","0.005","11.403","0.005","19.242","0.008","90","","90","","90","","2973","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H23 B F4 S -","- C11 H23 B F4 S -","- C88 H184 B8 F32 S8 -","8","1","","Destro, Riccardo; Ortoleva, Emanuele; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo","Detection and kinetics of the single-crystal to single-crystal complete transformation of a thiiranium ion into thietanium ion","Physical Chemistry Chemical Physics","2009","11","33","7181","7188","10.1039/b901928f","","","0.71073","MoKα","","0.2211","0.0698","","","0.1207","0.1871","","","","","","1.257","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200974","13.704","0.004","11.701","0.006","18.657","0.008","90","","90","","90","","2992","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H23 B F4 S -","- C11 H23 B F4 S -","- C88 H184 B8 F32 S8 -","8","1","","Destro, Riccardo; Ortoleva, Emanuele; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo","Detection and kinetics of the single-crystal to single-crystal complete transformation of a thiiranium ion into thietanium ion","Physical Chemistry Chemical Physics","2009","11","33","7181","7188","10.1039/b901928f","","","0.71073","MoKα","","0.2685","0.1056","","","0.2148","0.2896","","","","","","0.994","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200975","13.561","0.004","11.5","0.006","19.157","0.008","90","","90","","90","","2988","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H23 B F4 S -","- C11 H23 B F4 S -","- C88 H184 B8 F32 S8 -","8","1","","Destro, Riccardo; Ortoleva, Emanuele; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo","Detection and kinetics of the single-crystal to single-crystal complete transformation of a thiiranium ion into thietanium ion","Physical Chemistry Chemical Physics","2009","11","33","7181","7188","10.1039/b901928f","","","0.71073","MoKα","","0.1949","0.0971","","","0.2225","0.2814","","","","","","1.02","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200976","13.547","0.004","11.406","0.004","19.256","0.007","90","","90","","90","","2975.4","1.7","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H23 B F4 S -","- C11 H23 B F4 S -","- C88 H184 B8 F32 S8 -","8","1","","Destro, Riccardo; Ortoleva, Emanuele; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo","Detection and kinetics of the single-crystal to single-crystal complete transformation of a thiiranium ion into thietanium ion","Physical Chemistry Chemical Physics","2009","11","33","7181","7188","10.1039/b901928f","","","0.71073","MoKα","","0.1406","0.0736","","","0.1007","0.1111","","","","","","0.901","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200977","13.552","0.004","11.396","0.005","19.273","0.008","90","","90","","90","","2976","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H23 B F4 S -","- C11 H23 B F4 S -","- C88 H184 B8 F32 S8 -","8","1","","Destro, Riccardo; Ortoleva, Emanuele; Soave, Raffaella; Loconte, Laura; Lo Presti, Leonardo","Detection and kinetics of the single-crystal to single-crystal complete transformation of a thiiranium ion into thietanium ion","Physical Chemistry Chemical Physics","2009","11","33","7181","7188","10.1039/b901928f","","","0.71073","MoKα","","0.165","0.086","","","0.1843","0.2225","","","","","","1.066","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200978","10.1987","0.0007","12.1765","0.0008","12.6676","0.0008","103.897","0.001","105.973","0.001","107.548","0.001","1349.43","0.16","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H29 Co2 N3 O15 -","- C22 H27 Co2 N3 O15 -","- C44 H54 Co4 N6 O30 -","2","1","","Walsh, David P.; Clérac, Rodolphe; Hearns, Nigel G. R.; Kruger, Paul E.; Schmitt, Wolfgang","Modulating topologies and magnetic properties of coordination polymers using 2,2′-bipyridine and 5-aminodiacetic isophthalic acid as ligands","CrystEngComm","2009","11","8","1666","","10.1039/b902010a","","","0.71073","MoKα","","0.0407","0.037","","","0.1061","0.1082","","","","","","1.073","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200979","10.0968","0.001","12.1101","0.0012","12.586","0.0013","103.193","0.002","106.046","0.002","107.178","0.002","1330.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H29 N3 Ni2 O15 -","- C22 H27 N3 Ni2 O15 -","- C44 H54 N6 Ni4 O30 -","2","1","","Walsh, David P.; Clérac, Rodolphe; Hearns, Nigel G. R.; Kruger, Paul E.; Schmitt, Wolfgang","Modulating topologies and magnetic properties of coordination polymers using 2,2′-bipyridine and 5-aminodiacetic isophthalic acid as ligands","CrystEngComm","2009","11","8","1666","","10.1039/b902010a","","","0.71073","MoKα","","0.0312","0.0285","","","0.0775","0.0787","","","","","","1.063","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200980","14.0403","0.0008","9.0493","0.0005","17.2277","0.001","90","","106.962","0.001","90","","2093.6","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 Cu N3 O8 -","- C22 H17 Cu N3 O8 -","- C88 H68 Cu4 N12 O32 -","4","1","","Walsh, David P.; Clérac, Rodolphe; Hearns, Nigel G. R.; Kruger, Paul E.; Schmitt, Wolfgang","Modulating topologies and magnetic properties of coordination polymers using 2,2′-bipyridine and 5-aminodiacetic isophthalic acid as ligands","CrystEngComm","2009","11","8","1666","","10.1039/b902010a","","","0.71073","MoKα","","0.0315","0.0271","","","0.0766","0.0778","","","","","","1.12","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200983","5.898","0.004","7.371","0.005","11.31","0.007","90","","96.064","0.002","90","","488.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C5 H12 Br Cu N2 S -","- C5 H14 Br Cu N2 S -","- C10 H28 Br2 Cu2 N4 S2 -","2","0.5","","Liu, Xi; Huang, Kun-Lin; Liang, Guo-Ming; Wang, Ming-Sheng; Guo, Guo-Cong","Molecular design of luminescent halogeno-thiocyano-d10 metal complexes with in situ formation of the thiocyanate ligand","CrystEngComm","2009","11","8","1615","","10.1039/b902121c","","","0.71073","MoKα","","0.0368","0.0295","","","0.0693","0.073","","","","","","1.006","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200984","5.931","0.006","7.71","0.007","11.488","0.01","101.668","0.013","95.652","0.018","90.59","0.02","511.7","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C5 H12 Cu I N2 S -","- C5 H12 Cu I N2 S -","- C10 H24 Cu2 I2 N4 S2 -","2","1","","Liu, Xi; Huang, Kun-Lin; Liang, Guo-Ming; Wang, Ming-Sheng; Guo, Guo-Cong","Molecular design of luminescent halogeno-thiocyano-d10 metal complexes with in situ formation of the thiocyanate ligand","CrystEngComm","2009","11","8","1615","","10.1039/b902121c","","","0.71073","MoKα","","0.0561","0.0518","","","0.1299","0.1334","","","","","","1","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200985","14.9","0.004","6.4724","0.0013","6.4724","0.0013","90","","90","","90","","624.2","0.2","293","2","293","2","","","","","","","","7","P m n 21","P 2ac -2","31","","","","- C6 H12 Ag2 Cl N3 O0 S2 -","- C6 H12 Ag2 Cl N3 S2 -","- C12 H24 Ag4 Cl2 N6 S4 -","2","0.5","","Liu, Xi; Huang, Kun-Lin; Liang, Guo-Ming; Wang, Ming-Sheng; Guo, Guo-Cong","Molecular design of luminescent halogeno-thiocyano-d10 metal complexes with in situ formation of the thiocyanate ligand","CrystEngComm","2009","11","8","1615","","10.1039/b902121c","","","0.71073","MoKα","","0.0253","0.0247","","","0.0664","0.0671","","","","","","1.001","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200986","21.731","0.004","7.2815","0.0015","14.91","0.003","90","","101.49","0.03","90","","2312","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H76 N2 O2 -","- C52 H76 N2 O2 -","- C104 H152 N4 O4 -","2","0.5","","Fan, Yan; Song, Weifeng; Yu, Dingyi; Ye, Kaiqi; Zhang, Jingying; Wang, Yue","Polymorphs and luminescent properties of a cetyl substituted quinacridone derivative","CrystEngComm","2009","11","8","1716","","10.1039/b902129a","","","0.71073","MoKα","","0.158","0.0572","","","0.1271","0.1605","","","","","","0.963","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200987","16.912","0.003","9.83","0.002","15.129","0.003","90","","114.41","0.03","90","","2290.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C52 H76 N2 O2 -","- C52 H76 N2 O2 -","- C104 H152 N4 O4 -","2","0.5","","Fan, Yan; Song, Weifeng; Yu, Dingyi; Ye, Kaiqi; Zhang, Jingying; Wang, Yue","Polymorphs and luminescent properties of a cetyl substituted quinacridone derivative","CrystEngComm","2009","11","8","1716","","10.1039/b902129a","","","0.71073","MoKα","","0.0949","0.0468","","","0.1125","0.1222","","","","","","1.016","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200988","6.182","0.003","12.632","0.005","6.436","0.003","90","","90","","90","","502.6","0.4","200","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- Ag F4 K2 -","- Ag F4 K2 -","- Ag4 F16 K8 -","4","","","Mazej, Zoran; Goreshnik, Evgeny; Jagličić, Zvonko; Gaweł, Bartłomiej; Łasocha, Wiesław; Grzybowska, Dorota; Jaroń, Tomasz; Kurzydłowski, Dominik; Malinowski, Przemysław; Koźminski, Wiktor; Szydłowska, Jadwiga; Leszczyński, Piotr; Grochala, Wojciech","KAgF3, K2AgF4 and K3Ag2F7: important steps towards a layered antiferromagnetic fluoroargentate(II),","CrystEngComm","2009","11","8","1702","","10.1039/b902161b","","","0.71069","MoKα","","","0.0306","","","","0.0808","","","","","","1.173","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200989","20.8119","0.0014","6.3402","0.0004","6.2134","0.0004","90","","90","","90","","819.87","0.09","293","2","293","","","","","","","","","3","C c c a :2","-C 2a 2ac","68","tripotassium heptafuoro diargenate","tripotassium heptafuoro diargenate","","- Ag2 F7 K3 -","- Ag2 F7 K3 -","- Ag8 F28 K12 -","4","0.25","","Mazej, Zoran; Goreshnik, Evgeny; Jagličić, Zvonko; Gaweł, Bartłomiej; Łasocha, Wiesław; Grzybowska, Dorota; Jaroń, Tomasz; Kurzydłowski, Dominik; Malinowski, Przemysław; Koźminski, Wiktor; Szydłowska, Jadwiga; Leszczyński, Piotr; Grochala, Wojciech","KAgF3, K2AgF4 and K3Ag2F7: important steps towards a layered antiferromagnetic fluoroargentate(II),","CrystEngComm","2009","11","8","1702","","10.1039/b902161b","powder diffraction","","1.54178","CuKα","","0.1381","0.1381","","","0.1838","0.1838","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7200990","6.2689","0.0002","8.3015","0.0002","6.1844","0.0002","90","","90","","90","","321.844","0.017","293","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","potassium trifluoro argentate","","","- Ag F3 K -","- Ag F3 K -","- Ag4 F12 K4 -","4","0.5","","Mazej, Zoran; Goreshnik, Evgeny; Jagličić, Zvonko; Gaweł, Bartłomiej; Łasocha, Wiesław; Grzybowska, Dorota; Jaroń, Tomasz; Kurzydłowski, Dominik; Malinowski, Przemysław; Koźminski, Wiktor; Szydłowska, Jadwiga; Leszczyński, Piotr; Grochala, Wojciech","KAgF3, K2AgF4 and K3Ag2F7: important steps towards a layered antiferromagnetic fluoroargentate(II),","CrystEngComm","2009","11","8","1702","","10.1039/b902161b","powder diffraction","","1.54178","CuKα","","0.0607","0.0533","","","0.0427","0.044","","","","","","","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200991","16.4267","0.0004","16.4267","0.0004","16.135","0.0007","90","","90","","90","","4353.8","0.2","173","2","173","2","","","","","","","","3","P 4/n c c :2","-P 4a 2ac","130","","","","- C46 H60 O10 -","- C46 H60 O10 -","- C184 H240 O40 -","4","0.25","","Salorinne, Kirsi; Nissinen, Maija","Twisting of the resorcinarene core due to solvent effects upon crystallization","CrystEngComm","2009","11","8","1572","","10.1039/b902718a","","","1.54178","CuKα","","0.0831","0.0758","","","0.2184","0.2285","","","","","","1.126","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200992","8.0141","0.0006","17.358","0.001","17.634","0.0011","82.173","0.003","78.215","0.004","77.5","0.003","2333.5","0.3","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C49 H66 O11 -","- C49 H66 O11 -","- C98 H132 O22 -","2","1","","Salorinne, Kirsi; Nissinen, Maija","Twisting of the resorcinarene core due to solvent effects upon crystallization","CrystEngComm","2009","11","8","1572","","10.1039/b902718a","","","1.54178","CuKα","","0.1192","0.1005","","","0.3032","0.3207","","","","","","1.081","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200993","20.7573","0.0005","8.9214","0.0001","19.7132","0.0005","90","","102.185","0.001","90","","3568.33","0.13","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H51 N O8 -","- C42 H51 N O8 -","- C168 H204 N4 O32 -","4","0.5","","Salorinne, Kirsi; Nissinen, Maija","Twisting of the resorcinarene core due to solvent effects upon crystallization","CrystEngComm","2009","11","8","1572","","10.1039/b902718a","","","1.54184","CuKα","","0.0687","0.0628","","","0.174","0.1823","","","","","","1.045","","","","has coordinates,has disorder","180340","2020-10-21","18:00:00",""
"7200994","14.3941","0.0003","21.1462","0.0005","17.3931","0.0004","90","","96.636","0.001","90","","5258.7","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C56 H76.5 O14.25 -","- C56 H76 O14.25 -","- C224 H304 O57 -","4","1","","Salorinne, Kirsi; Nissinen, Maija","Twisting of the resorcinarene core due to solvent effects upon crystallization","CrystEngComm","2009","11","8","1572","","10.1039/b902718a","","","1.54178","CuKα","","0.0678","0.0527","","","0.13","0.1411","","","","","","1.012","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200995","14.5962","0.0003","15.334","0.0004","26.2678","0.0007","90","","97.548","0.002","90","","5828.3","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H76.5 D6 O15.5 S -","- C58 H82 O15.5 S -","- C232 H328 O62 S4 -","4","1","","Salorinne, Kirsi; Nissinen, Maija","Twisting of the resorcinarene core due to solvent effects upon crystallization","CrystEngComm","2009","11","8","1572","","10.1039/b902718a","","","1.54178","CuKα","","0.127","0.0973","","","0.2822","0.314","","","","","","1.062","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7200996","12.676","0.001","13.597","0.001","13.826","0.001","73.3","0.002","76.27","0.002","78.95","0.002","2197.7","0.3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","1,3,5-Benzene-tri-2,6-2-pyridyl pyridazine","","","- C52 H40 N12 O -","- C52 H40 N12 O -","- C104 H80 N24 O2 -","2","1","","Varughese, Sunil; Cooke, Gareth; Draper, Sylvia M.","N-Substituted pyridazines as building blocks in novel supramolecular architectures","CrystEngComm","2009","11","8","1505","","10.1039/b902765c","","","0.71073","MoKα","","0.0782","0.064","","","0.1902","0.2066","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200997","6.164","0.006","14.713","0.001","17.365","0.001","90","","95.38","0.001","90","","1567.9","1.5","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","4-Phenyl-3,6-Di(2-pyridyl)pyridazine","","","- C20 H14 N4 -","- C20 H14 N4 -","- C80 H56 N16 -","4","1","","Varughese, Sunil; Cooke, Gareth; Draper, Sylvia M.","N-Substituted pyridazines as building blocks in novel supramolecular architectures","CrystEngComm","2009","11","8","1505","","10.1039/b902765c","","","0.71073","MoKα","","0.0539","0.0404","","","0.0974","0.1043","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7200998","36","0.001","36","0.001","6.213","0.005","90","","90","","120","","6973","6","123","2","123","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C34 H22 N8 -","- C34 H22 N8 -","- C306 H198 N72 -","9","0.5","","Varughese, Sunil; Cooke, Gareth; Draper, Sylvia M.","N-Substituted pyridazines as building blocks in novel supramolecular architectures","CrystEngComm","2009","11","8","1505","","10.1039/b902765c","","","0.71073","MoKα","","0.0498","0.0408","","","0.1077","0.1125","","","","","","1.038","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7200999","26.1227","0.0012","26.1227","0.0012","13.4564","0.0013","90","","90","","120","","7952.4","0.9","298","2","298","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C16 H10 N8 O5 Zn2 -","- C16 H10 N8 O5 Zn2 -","- C288 H180 N144 O90 Zn36 -","18","0.5","","Guo, Huadong; Guo, Xianmin; Wang, Xiao; Li, Guanghua; Guo, Zhiyong; Su, Shengqun; Zhang, Hongjie","Interweaving of single-helical and equal double-helical chains with the same helical axis in a 3D metal‒organic framework","CrystEngComm","2009","11","8","1509","","10.1039/b902809a","","","0.71073","MoKα","","0.0251","0.0227","","","0.0626","0.0637","","","","","","1.112","","","","has coordinates","180340","2020-10-21","18:00:00",""
"7201002","8.655","0.002","9.619","0.003","10.727","0.003","83.143","0.005","72.938","0.004","64.907","0.004","773.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","oxazinoquinoline","","","- C19 H13 N O2 S2 -","- C19 H13 N O2 S2 -","- C38 H26 N2 O4 S4 -","2","1","","Saha, Pritam; Naskar, Subhendu; Paira, Priyankar; Hazra, Abhijit; Sahu, Krishnendu B.; Paira, Rupankar; Banerjee, Sukdeb; Mondal, Nirup B.","Basic alumina-supported highly effective Suzuki‒Miyaura cross-coupling reaction under microwave irradiation: application to fused tricyclic oxa-aza-quinolones","Green Chemistry","2009","11","7","931","","10.1039/b902916h","","","0.71073","MoKα","","0.0676","0.0481","","","0.1288","0.1416","","","","","","1.085","","","","has coordinates,has disorder","180341","2020-10-21","18:00:00",""
"7201003","15.017","0.003","17.685","0.004","27.129","0.005","90","","90","","90","","7205","3","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C35 H65 Cu14 I14 N11 -","- C35 H53 Cu14 I14 N11 -","- C140 H212 Cu56 I56 N44 -","4","0.5","","Hou, Qin; Yu, Jie-Hui; Xu, Jia-Ning; Yang, Qing-Feng; Xu, Ji-Qing","A new 3-D two-fold interpenetrated framework with sqp net based on Cu6I6 and Cu8I8 cluster nodes","CrystEngComm","2009","11","11","2452","","10.1039/b902936m","","","0.71073","MoKα","","0.0645","0.0447","","","0.092","0.0982","","","","","","1.066","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201013","13.6544","0.0003","13.6544","0.0003","30.8734","0.0013","90","","90","","90","","5756.1","0.3","186","2","186","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","(Eu(H2O)8(C4H12N))(C28H20O16S4) (H2O)16","","","- C32 H80 Eu N O40 S4 -","- C32 H80 Eu N O40 S4 -","- C128 H320 Eu4 N4 O160 S16 -","4","0.25","","Bi, Yanfeng; Liao, Wuping; Zhang, Hongjie; Li, Deqian","Assembly of ‘discrete’ (H2O)16 water clusters within a supramolecular compound of calixarene","CrystEngComm","2009","11","7","1213","","10.1039/b903020d","","","0.71073","MoKα","","0.0365","0.0355","","","0.0755","0.0765","","","","","","1.286","","","","has coordinates","201370","2020-10-21","18:00:00",""
"7201014","6.782","0.002","9.375","0.003","11.223","0.004","94.659","0.004","92.078","0.005","91.662","0.005","710.4","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H18 Ag3 Cl N4 O16 -","- C24 H18 Ag3 Cl N4 O16 -","- C24 H18 Ag3 Cl N4 O16 -","1","0.5","","Du, Miao; Li, Cheng-Peng; Guo, Jian-Hua","Unusual anion effect on the direction of three-dimensional (3-D) channel-like silver(I) coordination frameworks with isonicotinic acid N-oxide","CrystEngComm","2009","11","8","1536","","10.1039/b903074c","","","0.71073","MoKα","","0.0341","0.0269","","","0.0738","0.0888","","","","","","1.172","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201015","3.577","0.002","17.335","0.01","11.596","0.007","90","","90.726","0.01","90","","719","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Ag N O4 -","- C6 H6 Ag N O4 -","- C24 H24 Ag4 N4 O16 -","4","1","","Du, Miao; Li, Cheng-Peng; Guo, Jian-Hua","Unusual anion effect on the direction of three-dimensional (3-D) channel-like silver(I) coordination frameworks with isonicotinic acid N-oxide","CrystEngComm","2009","11","8","1536","","10.1039/b903074c","","","0.71073","MoKα","","0.0842","0.0475","","","0.0765","0.0848","","","","","","1.084","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201016","8.433","0.014","8.661","0.013","13.62","0.02","74.33","0.02","77.1","0.02","80.55","0.02","928","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H25 Cl2 Mn N5 O -","- C15 H25 Cl2 Mn N5 O -","- C30 H50 Cl4 Mn2 N10 O2 -","2","1","","Zhang, Daopeng; Wang, Hailong; Tian, Laijin; Jiang, Jianzhuang; Ni, Zhong-Hai","Rational design of cyanide-bridged heterometallic M(I)‒Mn(II) (M = Ag, Au) one-dimensional chain complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2009","11","11","2447","","10.1039/b903174j","","","0.71073","MoKα","","0.079","0.0612","","","0.2052","0.237","","","","","","1.007","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201017","8.267","0.014","8.394","0.013","14.19","0.02","73.89","0.02","76.72","0.02","81.28","0.02","917","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H23 Cl2 Mn N3 O3 -","- C15 H23 Cl2 Mn N3 O3 -","- C30 H46 Cl4 Mn2 N6 O6 -","2","1","","Zhang, Daopeng; Wang, Hailong; Tian, Laijin; Jiang, Jianzhuang; Ni, Zhong-Hai","Rational design of cyanide-bridged heterometallic M(I)‒Mn(II) (M = Ag, Au) one-dimensional chain complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2009","11","11","2447","","10.1039/b903174j","","","0.71073","MoKα","","0.0869","0.069","","","0.211","0.2394","","","","","","1.081","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201018","11.1464","0.0016","25.461","0.004","10.7528","0.0015","90","","117.596","0.002","90","","2704.5","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 Ag2 Mn N9 -","- C19.004 H23 Ag2 Mn N8.996 -","- C76.016 H92 Ag8 Mn4 N35.984 -","4","0.5","","Zhang, Daopeng; Wang, Hailong; Tian, Laijin; Jiang, Jianzhuang; Ni, Zhong-Hai","Rational design of cyanide-bridged heterometallic M(I)‒Mn(II) (M = Ag, Au) one-dimensional chain complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2009","11","11","2447","","10.1039/b903174j","","","0.71073","MoKα","","0.0759","0.0664","","","0.1904","0.204","","","","","","1.082","","","","has coordinates,has disorder","180341","2020-10-21","18:00:00",""
"7201019","11.1991","0.0013","25.381","0.003","10.6615","0.0012","90","","115.925","0.002","90","","2725.5","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 Au2 Mn N9 -","- C19.001 H23 Au2 Mn N9.088 -","- C76.004 H92 Au8 Mn4 N36.352 -","4","0.5","","Zhang, Daopeng; Wang, Hailong; Tian, Laijin; Jiang, Jianzhuang; Ni, Zhong-Hai","Rational design of cyanide-bridged heterometallic M(I)‒Mn(II) (M = Ag, Au) one-dimensional chain complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2009","11","11","2447","","10.1039/b903174j","","","0.71073","MoKα","","0.044","0.0374","","","0.1084","0.1127","","","","","","1.054","","","","has coordinates,has disorder","180341","2020-10-21","18:00:00",""
"7201020","10.6151","0.0011","20.157","0.002","49.67","0.005","90","","90","","90","","10627.8","1.9","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C19 H24 Au2 Mn N7 O3.5 -","- C19 H24 Au2 Mn N7 O3.5 -","- C304 H384 Au32 Mn16 N112 O56 -","16","0.5","","Zhang, Daopeng; Wang, Hailong; Tian, Laijin; Jiang, Jianzhuang; Ni, Zhong-Hai","Rational design of cyanide-bridged heterometallic M(I)‒Mn(II) (M = Ag, Au) one-dimensional chain complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2009","11","11","2447","","10.1039/b903174j","","","0.71073","MoKα","","0.0463","0.0341","","","0.0915","0.0995","","","","","","1.014","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201021","10.6783","0.0007","20.0234","0.0016","50.001","0.003","90","","90","","90","","10691","1.3","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C19 H24 Ag2 Mn N7 O3.5 -","- C19 H24 Ag2 Mn N7 O3.5 -","- C304 H384 Ag32 Mn16 N112 O56 -","16","0.5","","Zhang, Daopeng; Wang, Hailong; Tian, Laijin; Jiang, Jianzhuang; Ni, Zhong-Hai","Rational design of cyanide-bridged heterometallic M(I)‒Mn(II) (M = Ag, Au) one-dimensional chain complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2009","11","11","2447","","10.1039/b903174j","","","0.71073","MoKα","","0.0558","0.046","","","0.1587","0.1728","","","","","","1.049","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201022","13.335","0.002","13.335","0.002","31.626","0.008","90","","90","","90","","5623.8","1.9","293","2","293","2","","","","","","","","6","I -4 2 d","I -4 2bw","122","","","","- C52 H56.5 Cl0.5 Cu2 N6 O22.5 -","- C52 H40 Cl0.5 Cu2 N6 O22.5 -","- C208 H160 Cl2 Cu8 N24 O90 -","4","0.25","","Zhang, Hai-Xia; Yao, Qing-Xia; Jin, Xu-Hui; Ju, Zhan-Feng; Zhang, Jie","An unprecedented 9-fold [3 ×3] interpenetrated diamondoid network coordination polymer containing Cu(II)-based “paddlewheels” as connecting node","CrystEngComm","2009","11","9","1807","","10.1039/b903214b","","","0.71073","MoKα","","0.0692","0.0674","","","0.1942","0.198","","","","","","1.062","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201024","11.8123","0.0011","8.1954","0.0008","10.9733","0.001","90","","117.975","0.002","90","","938.16","0.15","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H4 Hg N4 S2 -","- C6 H4 Hg N4 S2 -","- C24 H16 Hg4 N16 S8 -","4","0.5","","Mahmoudi, Ghodrat; Morsali, Ali","Mercury(II) metal‒organic coordination polymers with pyrazine derivatives","CrystEngComm","2009","11","9","1868","","10.1039/b903457a","","","0.71073","MoKα","","0.0288","0.026","","","0.0585","0.0594","","","","","","1.025","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201025","7.0171","0.0012","7.0163","0.0012","8.3634","0.0014","109.362","0.004","96.04","0.004","112.625","0.003","345.53","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C2 H2 Hg I2 N -","- C2 H2 Hg I2 N -","- C4 H4 Hg2 I4 N2 -","2","1","","Mahmoudi, Ghodrat; Morsali, Ali","Mercury(II) metal‒organic coordination polymers with pyrazine derivatives","CrystEngComm","2009","11","9","1868","","10.1039/b903457a","","","0.71073","MoKα","","0.051","0.0503","","","0.1333","0.1358","","","","","","1.069","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201026","12.321","0.006","7.735","0.004","3.9036","0.0019","90","","95.497","0.011","90","","370.3","0.3","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C4 H4 Br2 Hg N2 -","- C4 H4 Br2 Hg N2 -","- C8 H8 Br4 Hg2 N4 -","2","0.25","","Mahmoudi, Ghodrat; Morsali, Ali","Mercury(II) metal‒organic coordination polymers with pyrazine derivatives","CrystEngComm","2009","11","9","1868","","10.1039/b903457a","","","0.71073","MoKα","","0.0405","0.0376","","","0.0847","0.0856","","","","","","1.046","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201027","4.052","0.003","9.002","0.007","9.734","0.008","98.723","0.013","100.464","0.013","99.231","0.014","338.6","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C3 H4 Br2 Hg N -","- C3 H4 Br2 Hg N -","- C6 H8 Br4 Hg2 N2 -","2","1","","Mahmoudi, Ghodrat; Morsali, Ali","Mercury(II) metal‒organic coordination polymers with pyrazine derivatives","CrystEngComm","2009","11","9","1868","","10.1039/b903457a","","","0.71073","MoKα","","0.0717","0.0598","","","0.1514","0.1581","","","","","","1.034","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201028","15.295","0.003","11.035","0.002","11.151","0.002","90","","115.25","0.003","90","","1702.2","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H4 Hg N3 S2 -","- C5 H4 Hg N3 S2 -","- C40 H32 Hg8 N24 S16 -","8","1","","Mahmoudi, Ghodrat; Morsali, Ali","Mercury(II) metal‒organic coordination polymers with pyrazine derivatives","CrystEngComm","2009","11","9","1868","","10.1039/b903457a","","","0.71073","MoKα","","0.0727","0.0623","","","0.1559","0.1643","","","","","","1.046","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201029","4.0289","0.0008","10.454","0.002","12.306","0.002","105.738","0.004","94.848","0.004","100.308","0.004","485.96","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Br2 Hg N2 -","- C6 H8 Br2 Hg N2 -","- C12 H16 Br4 Hg2 N4 -","2","1","","Mahmoudi, Ghodrat; Morsali, Ali","Mercury(II) metal‒organic coordination polymers with pyrazine derivatives","CrystEngComm","2009","11","9","1868","","10.1039/b903457a","","","0.71073","MoKα","","0.0673","0.0619","","","0.1731","0.1797","","","","","","1.08","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201030","3.895","0.0013","8.146","0.003","9.945","0.003","80.398","0.005","86.387","0.005","80.858","0.006","306.95","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H8 Cl4 Hg2 N2 -","- C6 H8 Cl4 Hg2 N2 -","- C6 H8 Cl4 Hg2 N2 -","1","0.5","","Mahmoudi, Ghodrat; Morsali, Ali","Mercury(II) metal‒organic coordination polymers with pyrazine derivatives","CrystEngComm","2009","11","9","1868","","10.1039/b903457a","","","0.71073","MoKα","","0.0656","0.0636","","","0.1774","0.1789","","","","","","1.112","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201031","12.8459","0.0012","21.18","0.002","8.3837","0.0008","90","","90","","90","","2281","0.4","100","2","100","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C8 H8 Hg N4 S2 -","- C8 H8 Hg N4 S2 -","- C64 H64 Hg8 N32 S16 -","8","0.5","","Mahmoudi, Ghodrat; Morsali, Ali","Mercury(II) metal‒organic coordination polymers with pyrazine derivatives","CrystEngComm","2009","11","9","1868","","10.1039/b903457a","","","0.71073","MoKα","","0.0192","0.0181","","","0.0396","0.0403","","","","","","0.914","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201032","4.4968","0.0009","6.8417","0.0014","9.941","0.002","90","","90","","90","","305.84","0.11","295","2","295","2","","","530000","","","","","3","P n m a","-P 2ac 2n","62","iodomethane","iodomethane","","- C H3 I -","- C H3 I -","- C4 H12 I4 -","4","0.5","","Podsiadło, Marcin; Katrusiak, Andrzej","High-pressure crystal structure of methyl iodide: molecular aggregation in the crystals of halomethanes and their isostructural relations,","CrystEngComm","2009","11","9","1951","","10.1039/b903526e","","","0.71073","MoKα","","0.0276","0.0247","","","0.0631","0.0639","","","","","","1.145","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201033","4.3643","0.0009","6.6826","0.0013","9.773","0.002","90","","90","","90","","285.03","0.1","295","2","295","2","","","1160000","","","","","3","P n m a","-P 2ac 2n","62","iodomethane","iodomethane","","- C H3 I -","- C H3 I -","- C4 H12 I4 -","4","0.5","","Podsiadło, Marcin; Katrusiak, Andrzej","High-pressure crystal structure of methyl iodide: molecular aggregation in the crystals of halomethanes and their isostructural relations,","CrystEngComm","2009","11","9","1951","","10.1039/b903526e","","","0.71073","MoKα","","0.0215","0.0197","","","0.0478","0.0489","","","","","","1.178","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201034","4.2676","0.001","6.572","0.01","9.611","0.006","90","","90","","90","","269.6","0.4","295","2","295","2","","","2530000","","","","","3","P n m a","-P 2ac 2n","62","iodomethane","iodomethane","","- C H3 I -","- C H3 I -","- C4 H12 I4 -","4","0.5","","Podsiadło, Marcin; Katrusiak, Andrzej","High-pressure crystal structure of methyl iodide: molecular aggregation in the crystals of halomethanes and their isostructural relations,","CrystEngComm","2009","11","9","1951","","10.1039/b903526e","","","0.71073","MoKα","","0.0435","0.0418","","","0.0827","0.0857","","","","","","1.131","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201035","9.638","0.002","9.638","0.002","27.84","0.007","90","","90","","120","","2239.6","0.9","289","2","293","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","Pentasodium tris(2,2?-oxydiacetato)-dysprosium(iii) bis(tetrafluoroborate) hexahydrate","Pentasodium tris(2,2?-oxydiacetato)-dysprosium(III) bis(tetrafluoroborate) hexahydrate","","- C12 H24 B2 Dy F8 Na5 O21 -","- C12 H12 B2 Dy F8 Na5 O21 -","- C36 H36 B6 Dy3 F24 Na15 O63 -","3","0.166667","","Lennartson, Anders; Håkansson, Mikael","Total spontaneous resolution of nine-coordinate complexes","CrystEngComm","2009","11","9","1979","","10.1039/b903554k","","x-ray","0.71073","MoKα","","0.0257","0.0256","","","0.0554","0.0555","","","","","","1.101","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201036","9.6578","0.0015","9.6578","0.0015","27.923","0.005","90","","90","","120","","2255.5","0.6","289","2","289","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","Pentasodium tris(2,2?-oxydiacetato)-erbium(iii) bis(tetrafluoroborate) hexahydrate","Pentasodium tris(2,2?-oxydiacetato)-erbium(III) bis(tetrafluoroborate) hexahydrate","","- C12 H24 B2 Er F8 Na5 O21 -","- C12 H12 B2 Er F8 Na5 O21 -","- C36 H36 B6 Er3 F24 Na15 O63 -","3","0.166667","","Lennartson, Anders; Håkansson, Mikael","Total spontaneous resolution of nine-coordinate complexes","CrystEngComm","2009","11","9","1979","","10.1039/b903554k","","x-ray","0.71073","MoKα","","0.0163","0.0149","","","0.0403","0.0691","","","","","","1.428","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201037","9.71","0.002","9.71","0.002","28.17","0.006","90","","90","","120","","2300.1","0.8","289","2","289","2","","","","","","","","7","R 3 2 :H","R 3 2""","155","Pentasodium tris(2,2?-oxydiacetato)-praseodymium(iii) bis(tetrafluoroborate) hexahydrate","Pentasodium tris(2,2?-oxydiacetato)-praseodymium(III) bis(tetrafluoroborate) hexahydrate","","- C12 H24 B2 F8 Na5 O21 Pr -","- C12 H12 B2 F8 Na5 O21 Pr -","- C36 H36 B6 F24 Na15 O63 Pr3 -","3","0.166667","","Lennartson, Anders; Håkansson, Mikael","Total spontaneous resolution of nine-coordinate complexes","CrystEngComm","2009","11","9","1979","","10.1039/b903554k","","x-ray","0.71073","MoKα","","0.0321","0.032","","","0.0769","0.0772","","","","","","1.092","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201038","17.535","0.004","8.4677","0.0016","19.207","0.004","90","","111.483","0.016","90","","2653.7","1","289","2","289","2","","","","","","","","5","C 1 c 1","C -2yc","9","Trisodium tris(2,2?-oxydiacetato)-gadolinium(iii) hexaahydrate","Trisodium tris(2,2?-oxydiacetato)-gadolinium(III) hexaahydrate","","- C12 H28 Gd Na3 O23 -","- C12 H12 Gd Na3 O23 -","- C48 H48 Gd4 Na12 O92 -","4","1","","Lennartson, Anders; Håkansson, Mikael","Total spontaneous resolution of nine-coordinate complexes","CrystEngComm","2009","11","9","1979","","10.1039/b903554k","","x-ray","0.71073","MoKα","","0.0217","0.0206","","","0.0542","0.0546","","","","","","0.905","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201039","9.1741","0.0011","9.3387","0.0016","17.7642","0.0016","83.75","0.02","72.724","0.01","86.44","0.02","1443.9","0.3","289","2","289","2","","","105","","","","","7","P -1","-P 1","2","Ammonium trisodium tris(2,2?-oxydiacetato)- praseodymium(iii)tiocyanate tetraahydrate","Ammonium trisodium tris(2,2?-oxydiacetato)-praseodymium(III)tiocyanate tetraahydrate","","- C13 H24 N2 Na3 O19 Pr S -","- C13 H12 N2 Na3 O19 Pr S -","- C26 H24 N4 Na6 O38 Pr2 S2 -","2","1","","Lennartson, Anders; Håkansson, Mikael","Total spontaneous resolution of nine-coordinate complexes","CrystEngComm","2009","11","9","1979","","10.1039/b903554k","","x-ray","0.71073","MoKα","","0.0374","0.0354","","","0.0941","0.0951","","","","","","1.073","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201040","14.544","0.002","15.039","0.003","18.655","0.003","112.528","0.003","106.237","0.003","97.703","0.002","3482.3","1","273","2","273","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H70 Ge Mo12 N11 Ni4 O47 -","- C27 H56 Ge Mo12 N11 Ni4 O45 -","- C54 H112 Ge2 Mo24 N22 Ni8 O90 -","2","1","","Wang, Wenju; Xu, Lin; Gao, Guanggang; Liu, Li; Liu, Xizheng","The first ε-Keggin core of molybdogermanate in extended architectures of nickel(II) with N-donor ligands: syntheses, crystal structures and magnetic properties","CrystEngComm","2009","11","11","2488","","10.1039/b903793d","","","0.71073","MoKα","","0.1017","0.0574","","","0.129","0.1551","","","","","","1.004","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201041","33.91","0.006","15.219","0.003","26.76","0.005","90","","103.472","0.003","90","","13430","4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H66 Ge Mo12 N11 Ni4 O42 -","- C30 H62 Ge Mo12 N11 Ni4 O42 -","- C240 H496 Ge8 Mo96 N88 Ni32 O336 -","8","1","","Wang, Wenju; Xu, Lin; Gao, Guanggang; Liu, Li; Liu, Xizheng","The first ε-Keggin core of molybdogermanate in extended architectures of nickel(II) with N-donor ligands: syntheses, crystal structures and magnetic properties","CrystEngComm","2009","11","11","2488","","10.1039/b903793d","","","0.71073","MoKα","","0.0813","0.054","","","0.1191","0.1319","","","","","","1.037","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201042","29.3618","0.0006","29.3618","0.0006","37.1534","0.0014","90","","90","","90","","32030.5","1.5","200","2","200","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C61 H59 Cu3 N7 O19 S3 -","- C55 H35 Cu3 N7 O14 -","- C880 H560 Cu48 N112 O224 -","16","1","","Guo, Zhiyong; Yu, Jiangbo; Li, Guanghua; Si, Zhenjun; Guo, Huadong; Zhang, Hongjie","A three-dimensional metal‒organic framework based on a triazine derivative: syntheses, structure analysis, and sorption studies","CrystEngComm","2009","11","11","2254","","10.1039/b903932e","","","0.71073","MoKα","","0.1313","0.0938","","","0.2542","0.2743","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201043","8.9718","0.0018","11.025","0.002","11.152","0.002","93.22","0.03","102.11","0.03","96.21","0.03","1068.7","0.4","293","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H17 Br2 Cu3 N7 -","- C17 H17 Br2 Cu3 N7 -","- C34 H34 Br4 Cu6 N14 -","2","1","","Li, Ling-Ling; Liu, Lei-Lei; Ren, Zhi-Gang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping","Solvothermal assembly of a mixed-valence Cu(I,II) cyanide coordination polymer [Cu(II)Cu(I)2(µ-Br)2(µ-CN)2(bdmpp)]n by C‒C bond cleavage of acetonitrile","CrystEngComm","2009","11","12","2751","","10.1039/b903972d","","","0.71073","MoKα","","0.0928","0.0629","","","0.1524","0.1749","","","","","","1.038","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201044","7.5111","0.0015","25.426","0.005","12.294","0.003","90","","106.74","0.03","90","","2248.4","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cu4 N10 -","- C20 H17 Cu4 N10 -","- C80 H68 Cu16 N40 -","4","1","","Li, Ling-Ling; Liu, Lei-Lei; Ren, Zhi-Gang; Li, Hong-Xi; Zhang, Yong; Lang, Jian-Ping","Solvothermal assembly of a mixed-valence Cu(I,II) cyanide coordination polymer [Cu(II)Cu(I)2(µ-Br)2(µ-CN)2(bdmpp)]n by C‒C bond cleavage of acetonitrile","CrystEngComm","2009","11","12","2751","","10.1039/b903972d","","","0.71073","MoKα","","0.0426","0.038","","","0.0926","0.0952","","","","","","1.123","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201045","13.023","0.001","12.739","0.001","13.684","0.001","90","","94.899","0.001","90","","2261.9","0.3","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C46 H34 Cd2 N4 O12 -","- C46 H34 Cd2 N4 O12 -","- C92 H68 Cd4 N8 O24 -","2","0.5","","Xu, Guang-Juan; Zhao, Ya-Hui; Shao, Kui-Zhan; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Yan, Li-Kai","Three novel 3D (3,8)-connected metal‒organic frameworks constructed from flexible-rigid mixed ligands","CrystEngComm","2009","11","9","1842","","10.1039/b904000e","","","0.71069","MoKα","","0.0434","0.035","","","0.0903","0.0952","","","","","","1.075","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201046","10.4","0.002","11.48","0.002","12.407","0.002","112.591","0.003","107.961","0.003","101.658","0.003","1211.3","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H40 Cd2 N4 O15 -","- C46 H34 Cd2 N4 O15 -","- C46 H34 Cd2 N4 O15 -","1","0.5","","Xu, Guang-Juan; Zhao, Ya-Hui; Shao, Kui-Zhan; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Yan, Li-Kai","Three novel 3D (3,8)-connected metal‒organic frameworks constructed from flexible-rigid mixed ligands","CrystEngComm","2009","11","9","1842","","10.1039/b904000e","","","0.71069","MoKα","","0.1048","0.0647","","","0.1529","0.182","","","","","","0.992","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201047","24.126","0.002","9.992","0.002","25.085","0.003","90","","116.902","0.005","90","","5392.8","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H38 Cd3 N4 O16 -","- C54 H38 Cd3 N4 O16 -","- C216 H152 Cd12 N16 O64 -","4","0.5","","Xu, Guang-Juan; Zhao, Ya-Hui; Shao, Kui-Zhan; Lan, Ya-Qian; Wang, Xin-Long; Su, Zhong-Min; Yan, Li-Kai","Three novel 3D (3,8)-connected metal‒organic frameworks constructed from flexible-rigid mixed ligands","CrystEngComm","2009","11","9","1842","","10.1039/b904000e","","","0.71069","MoKα","","0.0806","0.0475","","","0.1195","0.1337","","","","","","1.095","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201048","11.3034","0.0011","13.2485","0.0013","8.9142","0.0009","90","","97.277","0.002","90","","1324.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-Benzyl-1H-indole-1-carboxamide","N-Benzyl-1H-indole-1-carboxamide","","- C16 H14 N2 O -","- C16 H14 N2 O -","- C64 H56 N8 O4 -","4","1","","Ye, Deju; Wang, Jinfang; Zhang, Xu; Zhou, Yu; Ding, Xiao; Feng, Enguang; Sun, Haifeng; Liu, Guannan; Jiang, Hualiang; Liu, Hong","Gold-catalyzed intramolecular hydroamination of terminal alkynes in aqueous media: efficient and regioselective synthesis of indole-1-carboxamides","Green Chemistry","2009","11","8","1201","","10.1039/b904044g","","","0.71073","MoKα","","0.1036","0.0538","","","0.1006","0.1181","","","","","","0.878","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201054","17.7404","0.0006","26.0745","0.0011","9.83","0.0003","90","","90","","90","","4547.1","0.3","108","2","108","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C16 H18 Cu F12 N2 O4 -","- C16 H18 Cu F12 N2 O4 -","- C128 H144 Cu8 F96 N16 O32 -","8","0.5","","Bandoli, Giuliano; Barreca, Davide; Gasparotto, Alberto; Seraglia, Roberta; Tondello, Eugenio; Devi, Anjana; Fischer, Roland A.; Winter, Manuela; Fois, Ettore; Gamba, Aldo; Tabacchi, Gloria","An integrated experimental and theoretical investigation on Cu(hfa)2·TMEDA: structure, bonding and reactivity","Physical Chemistry Chemical Physics","2009","11","28","5998","6007","10.1039/b904145a","","","0.71073","MoKα","","0.0583","0.0417","","","0.09","0.093","","","","","","0.911","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201055","9.134","0.004","20.071","0.008","11.292","0.005","90","","91.478","0.008","90","","2069.5","1.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N4 O12 P2 -","- C14 H20 N4 O12 P2 -","- C56 H80 N16 O48 P8 -","4","1","","Xia, Yana; Wu, Biao; Liu, Yanyan; Yang, Zaiwen; Huang, Xiaojuan; He, Li; Yang, Xiao-Juan","A flexible bis(pyridylcarbamate) anion receptor: binding of infinite double-stranded phosphate, [-sulfate-(H2O)2-]n, and hydrogen-bridged helical perchlorate chain","CrystEngComm","2009","11","9","1849","","10.1039/b904253a","","","0.71073","MoKα","","0.1648","0.0713","","","0.1311","0.1488","","","","","","0.806","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201056","6.855","0.0014","36.204","0.007","7.5513","0.0015","90","","90.79","0.03","90","","1873.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N4 O10 S -","- C14 H20 N4 O10 S -","- C56 H80 N16 O40 S4 -","4","1","","Xia, Yana; Wu, Biao; Liu, Yanyan; Yang, Zaiwen; Huang, Xiaojuan; He, Li; Yang, Xiao-Juan","A flexible bis(pyridylcarbamate) anion receptor: binding of infinite double-stranded phosphate, [-sulfate-(H2O)2-]n, and hydrogen-bridged helical perchlorate chain","CrystEngComm","2009","11","9","1849","","10.1039/b904253a","","","0.71073","MoKα","","0.0543","0.0421","","","0.1112","0.1186","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201057","34.633","0.014","7.993","0.003","14.308","0.005","90","","98.437","0.011","90","","3918","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Cl2 N4 O12 -","- C14 H16 Cl2 N4 O12 -","- C112 H128 Cl16 N32 O96 -","8","1","","Xia, Yana; Wu, Biao; Liu, Yanyan; Yang, Zaiwen; Huang, Xiaojuan; He, Li; Yang, Xiao-Juan","A flexible bis(pyridylcarbamate) anion receptor: binding of infinite double-stranded phosphate, [-sulfate-(H2O)2-]n, and hydrogen-bridged helical perchlorate chain","CrystEngComm","2009","11","9","1849","","10.1039/b904253a","","","0.71073","MoKα","","0.1238","0.0658","","","0.1857","0.2228","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201058","21.659","0.004","4.8742","0.001","17.943","0.004","90","","120.4","0.03","90","","1633.8","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Cl2 N4 O4 -","- C14 H16 Cl2 N4 O4 -","- C56 H64 Cl8 N16 O16 -","4","0.5","","Xia, Yana; Wu, Biao; Liu, Yanyan; Yang, Zaiwen; Huang, Xiaojuan; He, Li; Yang, Xiao-Juan","A flexible bis(pyridylcarbamate) anion receptor: binding of infinite double-stranded phosphate, [-sulfate-(H2O)2-]n, and hydrogen-bridged helical perchlorate chain","CrystEngComm","2009","11","9","1849","","10.1039/b904253a","","","0.71073","MoKα","","0.0369","0.0328","","","0.0946","0.0985","","","","","","1.065","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201059","21.881","0.004","4.9052","0.001","18.337","0.004","90","","119.75","0.03","90","","1708.7","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H16 Br2 N4 O4 -","- C14 H16 Br2 N4 O4 -","- C56 H64 Br8 N16 O16 -","4","0.5","","Xia, Yana; Wu, Biao; Liu, Yanyan; Yang, Zaiwen; Huang, Xiaojuan; He, Li; Yang, Xiao-Juan","A flexible bis(pyridylcarbamate) anion receptor: binding of infinite double-stranded phosphate, [-sulfate-(H2O)2-]n, and hydrogen-bridged helical perchlorate chain","CrystEngComm","2009","11","9","1849","","10.1039/b904253a","","","0.71073","MoKα","","0.0504","0.0386","","","0.0925","0.0961","","","","","","0.924","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201062","16.023","0.006","17.455","0.006","25.036","0.009","93.065","0.006","101.971","0.005","100.061","0.002","6715","4","133.15","","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C332 H250 N16 O65 Zn8 -","- C332 H250 N16 O65 Zn8 -","- C332 H250 N16 O65 Zn8 -","1","0.5","","Cao, Xin-Yi; Yao, Yuan-Gen; Qin, Ye-Yan; Lin, Qi-Pu; Li, Zhao-Ji; Cheng, Jian-Kai; Zhang, Rui-Bo","Trapping in situ scission products of C‒O ester bonds by unique coordination supramolecular architectures","CrystEngComm","2009","11","9","1815","","10.1039/b904387j","","","0.71073","MoKα","","0.1557","0.1052","","","0.2774","0.3283","","","","","","1.067","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201063","12.264","0.003","28.899","0.006","9.6755","0.0019","90","","90","","90","","3429.2","1.3","293","2","293","2","","","","","","","","5","P n c 2","P 2 -2bc","30","","","","- C80 H58 Cd2 N4 O17 -","- C80 H58 Cd2 N4 O17 -","- C160 H116 Cd4 N8 O34 -","2","0.5","","Cao, Xin-Yi; Yao, Yuan-Gen; Qin, Ye-Yan; Lin, Qi-Pu; Li, Zhao-Ji; Cheng, Jian-Kai; Zhang, Rui-Bo","Trapping in situ scission products of C‒O ester bonds by unique coordination supramolecular architectures","CrystEngComm","2009","11","9","1815","","10.1039/b904387j","","","0.71073","MoKα","","0.0521","0.042","","","0.1032","0.1111","","","","","","1.013","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201064","7.94","0.002","26.509","0.008","16.793","0.005","90","","93.806","0.004","90","","3526.8","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C150 H100 N8 O30 Zn4 -","- C150 H100 N8 O30 Zn4 -","- C150 H100 N8 O30 Zn4 -","1","0.25","","Cao, Xin-Yi; Yao, Yuan-Gen; Qin, Ye-Yan; Lin, Qi-Pu; Li, Zhao-Ji; Cheng, Jian-Kai; Zhang, Rui-Bo","Trapping in situ scission products of C‒O ester bonds by unique coordination supramolecular architectures","CrystEngComm","2009","11","9","1815","","10.1039/b904387j","","","0.71073","MoKα","","0.146","0.0935","","","0.2651","0.3131","","","","","","1.049","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201065","9.15","0.018","13.76","0.03","10.229","0.019","90","","93.17","0.04","90","","1286","4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H16 N4 O8 Zn2 -","- C28 H16 N4 O8 Zn2 -","- C56 H32 N8 O16 Zn4 -","2","1","","Cao, Xin-Yi; Yao, Yuan-Gen; Qin, Ye-Yan; Lin, Qi-Pu; Li, Zhao-Ji; Cheng, Jian-Kai; Zhang, Rui-Bo","Trapping in situ scission products of C‒O ester bonds by unique coordination supramolecular architectures","CrystEngComm","2009","11","9","1815","","10.1039/b904387j","","","0.71073","MoKα","","0.1108","0.0707","","","0.1523","0.1816","","","","","","1.041","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201067","7.089","0.002","12.139","0.004","16.79","0.005","72.45","0.005","80.504","0.005","82.27","0.005","1353.2","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H17 Cu5 N8 -","- C27 H17 Cu5 N8 -","- C54 H34 Cu10 N16 -","2","1","","Zhou, Xiao-Ping; Lin, Shi-Hong; Li, Dan; Yin, Ye-Gao","Two CuCN hybrid networks with unusual topology tuned by terpyridine ligands","CrystEngComm","2009","11","9","1899","","10.1039/b904512k","","","0.71073","MoKα","","0.0718","0.0578","","","0.1468","0.1586","","","","","","0.979","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201068","10.586","0.019","13.259","0.017","17.18","0.003","90","","113.73","0.1","90","","2208","5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 Cu3 N6 -","- C25 H17 Cu3 N6 -","- C100 H68 Cu12 N24 -","4","1","","Zhou, Xiao-Ping; Lin, Shi-Hong; Li, Dan; Yin, Ye-Gao","Two CuCN hybrid networks with unusual topology tuned by terpyridine ligands","CrystEngComm","2009","11","9","1899","","10.1039/b904512k","","","0.71073","MoKα","","0.0682","0.0593","","","0.1608","0.1714","","","","","","1.041","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201069","8.5257","0.0017","8.5083","0.0016","19.23","0.004","90","","95.224","0.009","90","","1389.1","0.5","300","2","300","2","","","","","","","","6","P 1 21 1","P 2yb","4","Bis(2,6-di(pyrazol-1-yl)pyridine)iron(ii) ditetrafluoroborate","Bis[2,6-di(pyrazol-1-yl)pyridine]iron(II) ditetrafluoroborate","","- C22 H18 B2 F8 Fe N10 -","- C22 H18 B2 F8 Fe N10 -","- C44 H36 B4 F16 Fe2 N20 -","2","1","","Tovee, Clare A.; Kilner, Colin A.; Thomas, James A.; Halcrow, Malcolm A.","Co-crystallising two functional complex molecules in a terpyridine embrace lattice","CrystEngComm","2009","11","10","2069","","10.1039/b904528g","","","0.71073","MoKα","","0.0545","0.0368","","","0.0958","0.1046","","","","","","1.043","","","","has coordinates,has disorder","180341","2020-10-21","18:00:00",""
"7201070","12.716","0.004","12.44","0.005","19.237","0.007","90","","98.135","0.017","90","","3012.4","1.9","150","2","150","2","","","","","","","","6","C 1 c 1","C -2yc","9","Bis(2,2':6',2''-terpyridine)ruthenium(ii) ditetrafluoroborate","Bis(2,2':6',2''-terpyridine)ruthenium(II) ditetrafluoroborate","","- C30 H22 B2 F8 N6 Ru -","- C30 H22 B2 F8 N6 Ru -","- C120 H88 B8 F32 N24 Ru4 -","4","1","","Tovee, Clare A.; Kilner, Colin A.; Thomas, James A.; Halcrow, Malcolm A.","Co-crystallising two functional complex molecules in a terpyridine embrace lattice","CrystEngComm","2009","11","10","2069","","10.1039/b904528g","","","0.71073","MoKα","","0.056","0.0515","","","0.1265","0.1302","","","","","","1.083","","","","has coordinates,has disorder","180341","2020-10-21","18:00:00",""
"7201071","8.0485","0.0016","9.1139","0.0018","22.607","0.005","94.13","0.03","91.52","0.03","113.94","0.03","1508.9","0.7","110","2","110","2","","","","","","","","4","P -1","-P 1","2","Form I of 1:1 cocrystal of ethenzamide and gentisic acid","Form I of 1:1 cocrystal of ethenzamide and gentisic acid","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","2","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Trimorphs of a pharmaceutical cocrystal involving two active pharmaceutical ingredients: potential relevance to combination drugs","CrystEngComm","2009","11","9","1823","","10.1039/b904616j","","","0.71073","MoKα","","0.0937","0.0763","","","0.1918","0.2055","","","","","","1.173","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201072","7.7217","0.0015","12.668","0.003","15.749","0.003","90","","102.44","0.03","90","","1504.4","0.6","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Form II of 1:1 cocrystal of ethenzamide and gentisic acid","Form II of 1:1 cocrystal of ethenzamide and gentisic acid","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Trimorphs of a pharmaceutical cocrystal involving two active pharmaceutical ingredients: potential relevance to combination drugs","CrystEngComm","2009","11","9","1823","","10.1039/b904616j","","","0.71073","MoKα","","0.1349","0.1233","","","0.3545","0.3615","","","","","","1.136","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201073","7.1283","0.0014","16.242","0.003","12.904","0.003","90","","96.25","0.03","90","","1485.1","0.5","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Form III of 1:1 cocrystal of ethenzamide and gentisic acid","Form III of 1:1 cocrystal of ethenzamide and gentisic acid","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","","Aitipamula, Srinivasulu; Chow, Pui Shan; Tan, Reginald B. H.","Trimorphs of a pharmaceutical cocrystal involving two active pharmaceutical ingredients: potential relevance to combination drugs","CrystEngComm","2009","11","9","1823","","10.1039/b904616j","","","0.71073","MoKα","","0.0716","0.0619","","","0.1568","0.1657","","","","","","1.144","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201074","15.5453","0.0011","10.0554","0.0007","21.4858","0.0012","90","","113.182","0.004","90","","3087.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H72 Cu2 N4 O16 -","- C62 H72 Cu2 N4 O16 -","- C124 H144 Cu4 N8 O32 -","2","0.5","","Dai, Fangna; He, Haiyan; Gao, Dongliang; Ye, Fei; Qiu, Xiaoliang; Sun, Daofeng","Construction of copper metal‒organic systems based on paddlewheel SBU through altering the substituent positions of new flexible carboxylate ligands","CrystEngComm","2009","11","11","2516","","10.1039/b904671b","","","0.71073","MoKα","","0.0849","0.0549","","","0.1488","0.1746","","","","","","1.042","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201075","10.568","0.002","14.124","0.003","14.562","0.005","111.999","0.005","96.899","0.005","111.303","0.004","1793.1","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H84 Cu2 N6 O18 -","- C72 H80 Cu2 N6 O18 -","- C72 H80 Cu2 N6 O18 -","1","0.5","","Dai, Fangna; He, Haiyan; Gao, Dongliang; Ye, Fei; Qiu, Xiaoliang; Sun, Daofeng","Construction of copper metal‒organic systems based on paddlewheel SBU through altering the substituent positions of new flexible carboxylate ligands","CrystEngComm","2009","11","11","2516","","10.1039/b904671b","","","0.71073","MoKα","","0.0873","0.0562","","","0.1487","0.1899","","","","","","1.077","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201076","10.4913","0.0009","11.0159","0.0009","12.4366","0.001","89.118","0.001","89.041","0.001","79.857","0.001","1414.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H60 Cu2 N4 O12 S4 -","- C56 H60 Cu2 N4 O12 S4 -","- C56 H60 Cu2 N4 O12 S4 -","1","0.5","","Dai, Fangna; He, Haiyan; Gao, Dongliang; Ye, Fei; Qiu, Xiaoliang; Sun, Daofeng","Construction of copper metal‒organic systems based on paddlewheel SBU through altering the substituent positions of new flexible carboxylate ligands","CrystEngComm","2009","11","11","2516","","10.1039/b904671b","","","0.71073","MoKα","","0.0598","0.0463","","","0.1396","0.1535","","","","","","1.065","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201077","17.258","0.005","10.889","0.003","31.014","0.008","90","","95.417","0.004","90","","5802","3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H58 Cu2 N8 O13 S4 -","- C52 H58 Cu2 N8 O13 S4 -","- C208 H232 Cu8 N32 O52 S16 -","4","0.5","","Dai, Fangna; He, Haiyan; Gao, Dongliang; Ye, Fei; Qiu, Xiaoliang; Sun, Daofeng","Construction of copper metal‒organic systems based on paddlewheel SBU through altering the substituent positions of new flexible carboxylate ligands","CrystEngComm","2009","11","11","2516","","10.1039/b904671b","","","0.71073","MoKα","","0.0707","0.042","","","0.1027","0.121","","","","","","1.022","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201078","10.9927","0.0008","12.5852","0.0009","10.1326","0.0006","90","","94.364","0.002","90","","1397.73","0.16","290","2","290","2","","","","","","","","4","C 1 c 1","C -2yc","9","2-(3-(4-hydroxystyryl)cyclohex-2-enylidene)malononitrile","2-(3-(4-hydroxystyryl)cyclohex-2-enylidene)malononitrile","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","1","","Kwon, O-Pil; Jazbinsek, Mojca; Yun, Hoseop; Seo, Jung-In; Seo, Ji-Youn; Kwon, Seong-Ji; Lee, Yoon Sup; Günter, Peter","Crystal engineering by eliminating weak hydrogen bonding sites in phenolic polyene nonlinear optical crystals","CrystEngComm","2009","11","8","1541","","10.1039/b904688g","","","0.71073","MoKα","","0.0388","0.0345","","","0.1051","0.1123","","","","","","1.118","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201079","9.52609","0.00008","15.46723","0.00016","17.22783","0.00016","90","","93.458","0.0006","90","","2533.77","0.04","300","","300","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Tris(nitrato-O,O')bis(1,10-phenanthroline-N,N')europium(III)""","","- C24 H16 Eu N7 O9 -","- C24 H16 Eu N7 O9 -","- C96 H64 Eu4 N28 O36 -","4","0.5","","Werner, Franz; Tada, Kentaro; Ishii, Ayumi; Takata, Masaki; Hasegawa, Miki","The key role of accurate lattice parameters in revealing subtle structural differences—a case study in the system [Ln(phen/phen-d8)2(NO3)3]","CrystEngComm","2009","11","7","1197","","10.1039/b904694c","powder diffraction","x-ray","1.00224","","","","","","","","","0.05144","","1.35","","","","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201080","8.74","0.0017","11.111","0.002","16.82","0.003","101.26","0.03","104.48","0.03","98.16","0.03","1519.4","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H24 Ag3 N0 O27 Tb -","- C21 H24 Ag3 O27 Tb -","- C42 H48 Ag6 O54 Tb2 -","2","1","","Zhang, Zhen-Jie; Shi, Wei; Huang, Yong-Quan; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","The self-assembly of a heteronuclear complex monitored with ESI-MS and fluorescence spectrophotometry","CrystEngComm","2009","11","9","1811","","10.1039/b904704m","","","0.71073","MoKα","","0.0505","0.0387","","","0.0909","0.0986","","","","","","1.02","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201081","15.67","0.009","3.5182","0.0018","15.036","0.008","90","","104.523","0.007","90","","802.5","0.8","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Ag O7 -","- C7 H5 Ag O7 -","- C28 H20 Ag4 O28 -","4","1","","Zhang, Zhen-Jie; Shi, Wei; Huang, Yong-Quan; Zhao, Bin; Cheng, Peng; Liao, Dai-Zheng; Yan, Shi-Ping","The self-assembly of a heteronuclear complex monitored with ESI-MS and fluorescence spectrophotometry","CrystEngComm","2009","11","9","1811","","10.1039/b904704m","","","0.7107","MoKα","","0.0337","0.026","","","0.0626","0.0665","","","","","","1.074","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201082","9.0103","0.0006","14.9957","0.0011","9.0466","0.0008","90","","96.139","0.007","90","","1215.33","0.16","110","2","110","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H15 Gd O9 -","- C6 H15 Gd O9 -","- C24 H60 Gd4 O36 -","4","1","","Cañadillas-Delgado, Laura; Fabelo, Oscar; Cano, Joan; Pasán, Jorge; Delgado, Fernando S.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Dinuclear and two- and three-dimensional gadolinium(III) complexes with mono- and dicarboxylate ligands: synthesis, structure and magnetic properties","CrystEngComm","2009","11","10","2131","","10.1039/b904764f","","x-ray","0.71073","MoKα","","0.0289","0.0193","","","0.0358","0.0377","","","","","","1.05","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201083","8.4598","0.0003","8.549","0.0006","8.8472","0.0006","118.662","0.005","113.552","0.005","90.379","0.004","498.8","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H9 Gd O8 -","- C6 H5 Gd O8 -","- C12 H10 Gd2 O16 -","2","1","","Cañadillas-Delgado, Laura; Fabelo, Oscar; Cano, Joan; Pasán, Jorge; Delgado, Fernando S.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Dinuclear and two- and three-dimensional gadolinium(III) complexes with mono- and dicarboxylate ligands: synthesis, structure and magnetic properties","CrystEngComm","2009","11","10","2131","","10.1039/b904764f","","x-ray","0.71073","MoKα","","0.0526","0.0476","","","0.145","0.1484","","","","","","1.143","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201084","9.6673","0.0003","15.4344","0.0003","27.2399","0.0003","90","","90","","90","","4064.44","0.16","293","2","293","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C5 H10 Gd O10 -","- C5 H6 Gd O10 -","- C80 H96 Gd16 O160 -","16","0.5","","Cañadillas-Delgado, Laura; Fabelo, Oscar; Cano, Joan; Pasán, Jorge; Delgado, Fernando S.; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Dinuclear and two- and three-dimensional gadolinium(III) complexes with mono- and dicarboxylate ligands: synthesis, structure and magnetic properties","CrystEngComm","2009","11","10","2131","","10.1039/b904764f","","x-ray","0.71073","MoKα","","0.0363","0.0238","","","0.0354","0.0375","","","","","","1.143","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201085","13.9822","0.0013","13.9822","0.0013","6.2233","0.0012","90","","90","","90","","1216.7","0.3","293","2","293","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C24 H26 N8 O4 Zn -","- C24 H16 N8 O4 Zn -","- C48 H32 N16 O8 Zn2 -","2","0.25","","Xu, Jing; Bai, Zheng-Shuai; Chen, Man-Sheng; Su, Zhi; Chen, Shui-Sheng; Sun, Wei-Yin","Metal‒organic frameworks with six- and four-fold interpenetration and their photoluminescence and adsorption property","CrystEngComm","2009","11","12","2728","","10.1039/b904784k","","","0.71073","MoKα","","0.0717","0.0572","","","0.1408","0.1493","","","","","","1.096","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7201086","13.327","0.003","8.6627","0.0019","11.1","0.002","90","","90","","90","","1281.5","0.5","293","2","293","2","","","","","","","","6","P b a n :2","-P 2ab 2b","50","","","","- C24 H24 Cl2 Cu N8 O2 -","- C24 H20 Cl2 Cu N8 O2 -","- C48 H40 Cl4 Cu2 N16 O4 -","2","0.25","","Xu, Jing; Bai, Zheng-Shuai; Chen, Man-Sheng; Su, Zhi; Chen, Shui-Sheng; Sun, Wei-Yin","Metal‒organic frameworks with six- and four-fold interpenetration and their photoluminescence and adsorption property","CrystEngComm","2009","11","12","2728","","10.1039/b904784k","","","0.71073","MoKα","","0.0735","0.0603","","","0.1639","0.1698","","","","","","1.148","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201087","15.661","0.002","16.626","0.002","24.8","0.003","73.646","0.01","72.264","0.01","69.575","0.01","5651.6","1.3","123","2","123","2","","","","","","","","6","P -1","-P 1","2","","","","- C209 H292 F48 I8 N2 O10 -","- C209 H292 F48 I8 N2 O10 -","- C209 H292 F48 I8 N2 O10 -","1","0.5","","Gattuso, Giuseppe; Notti, Anna; Pappalardo, Sebastiano; Parisi, Melchiorre F.; Pilati, Tullio; Resnati, Giuseppe; Terraneo, Giancarlo","Ion-pair separation via selective inclusion/segregation processes","CrystEngComm","2009","11","7","1204","","10.1039/b904811c","","","0.71073","MoKα","","0.0792","0.0411","","","0.0894","0.1041","","","","","","1.003","","","","has coordinates,has disorder","180341","2020-10-21","18:00:00",""
"7201088","3.77","0.0008","25.66","0.005","16.43","0.003","90","","95.23","0.03","90","","1582.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cl5 Cu4 N2 -","- C12 H8 Cl5 Cu4 N2 -","- C48 H32 Cl20 Cu16 N8 -","4","1","","Jian, Fang Fang; Huang, Li Hua; Huang, Bao Xin; Wang, Jing; Wang, Xian","The nanoscale drum-gong-cymbal-like mixed-valence CuIICuI3 cluster polymer and magnetism study","CrystEngComm","2009","11","9","1796","","10.1039/b904818a","","","0.71073","MoKα","","0.0673","0.0435","","","0.1006","0.113","","","","","","1.049","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201089","11.4289","0.0017","19.667","0.003","27.089","0.004","90","","96.519","0.003","90","","6049.5","1.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H79 Cl6 N9 O32 -","- C38 H75 Cl6 N9 O32 -","- C152 H300 Cl24 N36 O128 -","4","1","","Yang, Li-Zi; Li, Yu; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Size and temperature dependent encapsulation of tetrahedral anions by a protonated cryptand host","CrystEngComm","2009","11","11","2375","2380","10.1039/b904838c","","","0.71073","MoKα","","0.1316","0.0722","","","0.2061","0.2477","","","","","","1.05","","","","has coordinates,has disorder","218501","2020-10-21","18:00:00",""
"7201090","16.602","0.002","18.921","0.002","23.048","0.003","90","","108.427","0.002","90","","6868.8","1.4","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C72 H204 N16 O88 P16 -","- C72 H148 N16 O88 P16 -","- C144 H296 N32 O176 P32 -","2","1","","Yang, Li-Zi; Li, Yu; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Size and temperature dependent encapsulation of tetrahedral anions by a protonated cryptand host","CrystEngComm","2009","11","11","2375","2380","10.1039/b904838c","","","0.71073","MoKα","","0.1533","0.11","","","0.2334","0.259","","","","","","0.947","","","","has coordinates,has disorder","218501","2020-10-21","18:00:00",""
"7201091","26.684","0.0007","12.7451","0.0005","21.3537","0.0005","90","","98.737","0.002","90","","7177.9","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H110 N8 O48 P8 -","- C36 H68 N8 O48 P8 -","- C144 H272 N32 O192 P32 -","4","1","","Yang, Li-Zi; Li, Yu; Jiang, Long; Feng, Xiao-Long; Lu, Tong-Bu","Size and temperature dependent encapsulation of tetrahedral anions by a protonated cryptand host","CrystEngComm","2009","11","11","2375","2380","10.1039/b904838c","","","0.71073","MoKα","","0.1076","0.0728","","","0.2017","0.2382","","","","","","1.056","","","","has coordinates,has disorder","218501","2020-10-21","18:00:00",""
"7201092","6.4134","0.0006","7.4639","0.0007","40.105","0.004","90","","94.439","0.004","90","","1914","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","lithium (triaqua (3,5-dinitrobenzoate) (4- (dimethylamino)benzoate))","lithium [triaqua (3,5-dinitrobenzoate) (4-(dimethylamino)benzoate)]","","- C16 H19 Li2 N3 O11 -","- C16 H19 Li2 N3 O11 -","- C64 H76 Li8 N12 O44 -","4","1","","Seaton, Colin C.; Scowen, Ian J.; Blagden, Nicholas","Formation of a hybrid coordination-molecular complex","CrystEngComm","2009","11","9","1793","","10.1039/b904908h","","","0.71073","MoKα","","0.0663","0.0525","","","0.1489","0.1585","","","","","","1.027","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201093","18.582","0.002","20.431","0.003","25.719","0.003","103.07","0.02","95.62","0.02","107.28","0.02","8938","3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C53.13 H51.25 B Cl0.25 N4 Ni O3 -","- C53.125 H51.25 B Cl0.25 N4 Ni O3 -","- C425 H410 B8 Cl2 N32 Ni8 O24 -","8","4","","Halder, Partha; Chakraborty, Biswarup; Banerjee, Priya Ranjan; Zangrando, Ennio; Paine, Tapan Kanti","Role of α-hydroxycarboxylic acids in the construction of supramolecular assemblies of nickel(ii) complexes with nitrogen donor coligands","CrystEngComm","2009","11","12","2650","","10.1039/b904939h","","","0.71073","MoKα","","0.0859","0.052","","","0.1193","0.1368","","","","","","1.026","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201094","12.615","0.002","11.356","0.002","17.992","0.003","90","","107.62","0.02","90","","2456.5","0.8","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C57 H57 B N6 Ni O3 -","- C57 H57 B N6 Ni O3 -","- C114 H114 B2 N12 Ni2 O6 -","2","1","","Halder, Partha; Chakraborty, Biswarup; Banerjee, Priya Ranjan; Zangrando, Ennio; Paine, Tapan Kanti","Role of α-hydroxycarboxylic acids in the construction of supramolecular assemblies of nickel(ii) complexes with nitrogen donor coligands","CrystEngComm","2009","11","12","2650","","10.1039/b904939h","","","0.71073","MoKα","","0.0399","0.0327","","","0.07","0.0727","","","","","","1.03","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201095","16.708","0.004","11.93","0.003","24.401","0.005","90","","96.63","0.03","90","","4831","2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H55 B N4 Ni O3 -","- C59 H55 B N4 Ni O3 -","- C236 H220 B4 N16 Ni4 O12 -","4","1","","Halder, Partha; Chakraborty, Biswarup; Banerjee, Priya Ranjan; Zangrando, Ennio; Paine, Tapan Kanti","Role of α-hydroxycarboxylic acids in the construction of supramolecular assemblies of nickel(ii) complexes with nitrogen donor coligands","CrystEngComm","2009","11","12","2650","","10.1039/b904939h","","","0.71073","MoKα","","0.0597","0.0391","","","0.0923","0.1025","","","","","","1.016","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201096","14.894","0.004","17.722","0.003","10.154","0.003","90","","90","","90","","2680.2","1.2","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C26 H28 N4 Ni O7 -","- C26 H26 N4 Ni O7 -","- C104 H104 N16 Ni4 O28 -","4","0.5","","Halder, Partha; Chakraborty, Biswarup; Banerjee, Priya Ranjan; Zangrando, Ennio; Paine, Tapan Kanti","Role of α-hydroxycarboxylic acids in the construction of supramolecular assemblies of nickel(ii) complexes with nitrogen donor coligands","CrystEngComm","2009","11","12","2650","","10.1039/b904939h","","","0.71073","MoKα","","0.0463","0.0321","","","0.0745","0.0819","","","","","","1.028","","","","has coordinates","180341","2020-10-21","18:00:00",""
"7201097","16.11","0.003","16.11","0.003","43.693","0.006","90","","90","","90","","11340","3","150","2","150","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C27.75 H29.5 N4.5 Ni O6.5 -","- C27.75 H29.25 N4.5 Ni O6.5 -","- C444 H468 N72 Ni16 O104 -","16","2","","Halder, Partha; Chakraborty, Biswarup; Banerjee, Priya Ranjan; Zangrando, Ennio; Paine, Tapan Kanti","Role of α-hydroxycarboxylic acids in the construction of supramolecular assemblies of nickel(ii) complexes with nitrogen donor coligands","CrystEngComm","2009","11","12","2650","","10.1039/b904939h","","","0.71073","MoKα","","0.0655","0.0463","","","0.1027","0.1109","","","","","","1.019","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201098","11.621","0.002","13.006","0.002","15.093","0.003","74.5","0.02","68.63","0.02","66.967","0.01","1934.2","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C40.5 H44 N4 Ni O8.5 -","- C40.5 H44 N4 Ni O8.5 -","- C81 H88 N8 Ni2 O17 -","2","1","","Halder, Partha; Chakraborty, Biswarup; Banerjee, Priya Ranjan; Zangrando, Ennio; Paine, Tapan Kanti","Role of α-hydroxycarboxylic acids in the construction of supramolecular assemblies of nickel(ii) complexes with nitrogen donor coligands","CrystEngComm","2009","11","12","2650","","10.1039/b904939h","","","0.71073","MoKα","","0.0446","0.0359","","","0.0895","0.0941","","","","","","1.044","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201099","11.0527","0.001","11.3755","0.001","15.9775","0.0014","90","","103.634","0.001","90","","1952.2","0.3","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H20.4 N2 O4.2 Zn -","- C22 H20.4 N2 O4.2 Zn -","- C88 H81.6 N8 O16.8 Zn4 -","4","1","","Ma, Lu-Fang; Wang, Yao-Yu; Liu, Jian-Qiang; Yang, Guo-Ping; Du, Miao; Wang, Li-Ya","Delicate substituent effect of isophthalate tectons on the structural assembly of diverse 4-connected metal‒organic frameworks (MOFs)","CrystEngComm","2009","11","9","1800","","10.1039/b904977k","","","0.71073","MoKα","","0.0289","0.0251","","","0.0675","0.0698","","","","","","1.06","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201100","7.4048","0.0007","17.8437","0.0017","18.2591","0.0017","90","","98.59","0.001","90","","2385.5","0.4","291","2","291","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 N2 O5 Zn -","- C25 H28 N2 O5 Zn -","- C100 H112 N8 O20 Zn4 -","4","1","","Ma, Lu-Fang; Wang, Yao-Yu; Liu, Jian-Qiang; Yang, Guo-Ping; Du, Miao; Wang, Li-Ya","Delicate substituent effect of isophthalate tectons on the structural assembly of diverse 4-connected metal‒organic frameworks (MOFs)","CrystEngComm","2009","11","9","1800","","10.1039/b904977k","","","0.71073","MoKα","","0.0337","0.0293","","","0.0776","0.0806","","","","","","1.02","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201101","12.7027","0.0008","20.8321","0.0013","16.9577","0.0011","90","","102.889","0.001","90","","4374.3","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H44 N4 O12 Zn2 -","- C44 H44 N4 O12 Zn2 -","- C176 H176 N16 O48 Zn8 -","4","1","","Ma, Lu-Fang; Wang, Yao-Yu; Liu, Jian-Qiang; Yang, Guo-Ping; Du, Miao; Wang, Li-Ya","Delicate substituent effect of isophthalate tectons on the structural assembly of diverse 4-connected metal‒organic frameworks (MOFs)","CrystEngComm","2009","11","9","1800","","10.1039/b904977k","","","0.71073","MoKα","","0.045","0.0321","","","0.0784","0.085","","","","","","1.017","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201102","17.345","0.004","21.607","0.004","26.322","0.005","90","","110.05","0.02","90","","9267","3","291","2","291","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C18 H56 As2 K1.5 Na4.5 O84.5 Ru3 W17 Zn4 -","- C18 H18 As2 K1.5 Na4.5 O85.5 Ru3 W17 Zn4 -","- C72 H72 As8 K6 Na18 O342 Ru12 W68 Zn16 -","4","1","","Bi, Li-Hua; Hou, Guang-Feng; Wu, Li-Xin; Kortz, Ulrich","An organo-ruthenium grafted zinc-substituted tungstoarsenate","CrystEngComm","2009","11","8","1532","","10.1039/b905030b","","","0.71073","MoKα","","0.0878","0.0548","","","0.1195","0.1346","","","","","","0.967","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201103","13.1987","0.0002","13.1987","0.0002","9.247","0.0001","90","","90","","120","","1395.06","0.03","203","2","203","2","","","","","","","","7","P -3","-P 3","147","","","","- C18 H24 B3 F12 Fe N10 Na -","- C18 H24 B3 F12 Fe N10 Na -","- C36 H48 B6 F24 Fe2 N20 Na2 -","2","0.333333","","Alvarado, Luigi; Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Straka, Alison; Viragh, Carol","Supramolecular assemblies prepared from an iron(II) tripodal complex, tetrafluoroborate, and alkali metal cations. The effect of cation size on coordination number, anion disorder and hydrogen bonding","CrystEngComm","2009","11","11","2297","","10.1039/b905061b","","","0.71073","MoKα","","0.0945","0.0714","","","0.2068","0.2332","","","","","","1.102","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201104","13.2465","0.0004","13.2465","0.0004","9.1812","0.0003","90","","90","","120","","1395.19","0.08","203","2","203","2","","","","","","","","7","P -3","-P 3","147","","","","- C18 H24 B3 F12 Fe K N10 -","- C18 H24 B3 F12 Fe K N10 -","- C36 H48 B6 F24 Fe2 K2 N20 -","2","0.333333","","Alvarado, Luigi; Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Straka, Alison; Viragh, Carol","Supramolecular assemblies prepared from an iron(II) tripodal complex, tetrafluoroborate, and alkali metal cations. The effect of cation size on coordination number, anion disorder and hydrogen bonding","CrystEngComm","2009","11","11","2297","","10.1039/b905061b","","","0.71073","MoKα","","0.0686","0.033","","","0.0656","0.0703","","","","","","0.849","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201105","13.286","0.0004","13.286","0.0004","9.2998","0.0002","90","","90","","120","","1421.65","0.07","203","2","203","2","","","","","","","","6","P -3","-P 3","147","","","","- C18 H28 B3 F12 Fe N11 -","- C18 H24 B3 F12 Fe N11 -","- C36 H48 B6 F24 Fe2 N22 -","2","0.333333","","Alvarado, Luigi; Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Straka, Alison; Viragh, Carol","Supramolecular assemblies prepared from an iron(II) tripodal complex, tetrafluoroborate, and alkali metal cations. The effect of cation size on coordination number, anion disorder and hydrogen bonding","CrystEngComm","2009","11","11","2297","","10.1039/b905061b","","","0.71073","MoKα","","0.0585","0.035","","","0.098","0.1056","","","","","","1.045","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201106","13.466","0.0003","13.466","0.0003","9.4702","0.0002","90","","90","","120","","1487.19","0.06","296","2","296","2","","","","","","","","7","P -3","-P 3","147","","","","- C18 H24 B3 Cs F12 Fe N10 -","- C18 H24 B3 Cs F12 Fe N10 -","- C36 H48 B6 Cs2 F24 Fe2 N20 -","2","0.333333","","Alvarado, Luigi; Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Straka, Alison; Viragh, Carol","Supramolecular assemblies prepared from an iron(II) tripodal complex, tetrafluoroborate, and alkali metal cations. The effect of cation size on coordination number, anion disorder and hydrogen bonding","CrystEngComm","2009","11","11","2297","","10.1039/b905061b","","","0.71073","MoKα","","0.0549","0.0361","","","0.0934","0.1095","","","","","","1.084","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201107","13.384","0.0006","13.384","0.0006","9.3264","0.0003","90","","90","","120","","1446.83","0.1","296","2","296","2","","","","","","","","7","P -3","-P 3","147","","","","- C18 H24 B3 F12 Fe N10 Rb -","- C18 H24 B3 F12 Fe N10 Rb -","- C36 H48 B6 F24 Fe2 N20 Rb2 -","2","0.333333","","Alvarado, Luigi; Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Straka, Alison; Viragh, Carol","Supramolecular assemblies prepared from an iron(II) tripodal complex, tetrafluoroborate, and alkali metal cations. The effect of cation size on coordination number, anion disorder and hydrogen bonding","CrystEngComm","2009","11","11","2297","","10.1039/b905061b","","","0.71073","MoKα","","0.0836","0.0327","","","0.0661","0.0843","","","","","","0.989","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201108","9.4059","0.0003","22.769","0.0005","12.165","0.0003","90","","110.168","0.003","90","","2445.55","0.12","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 B2 F8 Fe N10 -","- C18 H24 B2 F8 Fe N10 -","- C72 H96 B8 F32 Fe4 N40 -","4","1","","Alvarado, Luigi; Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Straka, Alison; Viragh, Carol","Supramolecular assemblies prepared from an iron(II) tripodal complex, tetrafluoroborate, and alkali metal cations. The effect of cation size on coordination number, anion disorder and hydrogen bonding","CrystEngComm","2009","11","11","2297","","10.1039/b905061b","","","0.71073","MoKα","","0.0559","0.0418","","","0.1117","0.1162","","","","","","1.074","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201109","9.4643","0.0003","22.8067","0.0005","12.2058","0.0004","90","","110.189","0.003","90","","2472.74","0.13","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 B2 F8 Fe N10 -","- C18 H24 B2 F8 Fe N10 -","- C72 H96 B8 F32 Fe4 N40 -","4","1","","Alvarado, Luigi; Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Straka, Alison; Viragh, Carol","Supramolecular assemblies prepared from an iron(II) tripodal complex, tetrafluoroborate, and alkali metal cations. The effect of cation size on coordination number, anion disorder and hydrogen bonding","CrystEngComm","2009","11","11","2297","","10.1039/b905061b","","","0.71073","MoKα","","0.0651","0.0489","","","0.1433","0.1506","","","","","","1.112","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201110","9.8471","0.0006","22.6507","0.0011","12.5484","0.0006","90","","111.268","0.006","90","","2608.2","0.3","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 B2 F8 Fe N10 -","- C18 H24 B2 F8 Fe N10 -","- C72 H96 B8 F32 Fe4 N40 -","4","1","","Alvarado, Luigi; Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Straka, Alison; Viragh, Carol","Supramolecular assemblies prepared from an iron(II) tripodal complex, tetrafluoroborate, and alkali metal cations. The effect of cation size on coordination number, anion disorder and hydrogen bonding","CrystEngComm","2009","11","11","2297","","10.1039/b905061b","","","0.71073","MoKα","","0.1763","0.0453","","","0.1056","0.1283","","","","","","0.796","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201111","7.7153","0.0006","5.4523","0.0005","12.7639","0.0011","90","","94.607","0.002","90","","535.19","0.08","98","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","L-alanine alaninium nitrate","","","- C6 H15 N3 O7 -","- C6 H15 N3 O7 -","- C12 H30 N6 O14 -","2","1","","Hudson, Matthew R.; Allis, Damian G.; Ouellette, Wayne; Hudson, Bruce S.","Inelastic neutron scattering and Raman spectroscopic investigation of l-alanine alaninium nitrate, a homologue of a ferroelectric material","Physical Chemistry Chemical Physics","2009","11","41","9474","9483","10.1039/b905070a","","x-ray","0.71073","MoKα","","0.0515","0.0508","","","0.1177","0.1181","","","","","","1.253","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201112","9.9192","0.0004","9.9192","0.0004","17.2456","0.0012","90","","90","","90","","1696.8","0.15","293","2","293","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C9 H16 O2 -","- C9 H16 O2 -","- C72 H128 O16 -","8","1","","Wallentin, Carl-Johan; Orentas, Edvinas; Johnson, Magnus T.; Butkus, Eugenijus; Wendt, Ola F.; Öhrström, Lars; Wärnmark, Kenneth","Network analysis of bicyclo[3.3.1]nonanes: the diol, the dione and the acetal","CrystEngComm","2009","11","9","1837","","10.1039/b905122h","","","0.71073","MoKα","","0.0423","0.0376","","","0.1105","0.1156","","","","","","1.153","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201113","11.4565","0.0006","7.9243","0.0004","13.7482","0.0008","90","","106.287","0.006","90","","1198.04","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 O4 -","- C13 H20 O4 -","- C52 H80 O16 -","4","1","","Wallentin, Carl-Johan; Orentas, Edvinas; Johnson, Magnus T.; Butkus, Eugenijus; Wendt, Ola F.; Öhrström, Lars; Wärnmark, Kenneth","Network analysis of bicyclo[3.3.1]nonanes: the diol, the dione and the acetal","CrystEngComm","2009","11","9","1837","","10.1039/b905122h","","","0.71073","MoKα","","0.0745","0.0428","","","0.1137","0.1206","","","","","","1.049","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201114","6.9851","0.0004","6.9851","0.0004","29.362","0.003","90","","90","","120","","1240.68","0.16","293","2","293","2","","","","","","","","3","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C9 H12 O2 -","- C9 H12 O2 -","- C54 H72 O12 -","6","0.5","","Wallentin, Carl-Johan; Orentas, Edvinas; Johnson, Magnus T.; Butkus, Eugenijus; Wendt, Ola F.; Öhrström, Lars; Wärnmark, Kenneth","Network analysis of bicyclo[3.3.1]nonanes: the diol, the dione and the acetal","CrystEngComm","2009","11","9","1837","","10.1039/b905122h","","","0.71073","MoKα","","0.1051","0.0368","","","0.0748","0.0842","","","","","","1.018","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201115","24.831","0.005","9.586","0.005","10.703","0.005","90","","98.294","0.005","90","","2521","1.8","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C29 H20 N2 O4 Zn -","- C29 H20 N2 O4 Zn -","- C116 H80 N8 O16 Zn4 -","4","1","","Guo, Hua-Dong; Qiu, Dong-Fang; Guo, Xian-Min; Zheng, Guo-Li; Wang, Xiao; Dang, Song; Zhang, Hong-Jie","Entangled metal‒organic frameworks modulated by N-donor ligands of different conformations","CrystEngComm","2009","11","11","2425","","10.1039/b905190m","","","0.71069","MoKα","","0.0445","0.0394","","","0.0953","0.098","","","","","","0.976","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201116","33.894","0.005","21.734","0.005","20.42","0.005","90","","124.565","0.005","90","","12387","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H41 N3 O10 Zn2 -","- C44 H32 N2 O9 Zn2 -","- C352 H256 N16 O72 Zn16 -","8","1","","Guo, Hua-Dong; Qiu, Dong-Fang; Guo, Xian-Min; Zheng, Guo-Li; Wang, Xiao; Dang, Song; Zhang, Hong-Jie","Entangled metal‒organic frameworks modulated by N-donor ligands of different conformations","CrystEngComm","2009","11","11","2425","","10.1039/b905190m","","","0.71069","MoKα","","0.1297","0.0821","","","0.2704","0.3086","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201117","32.5852","0.0015","20.8089","0.0009","16.3201","0.0007","90","","115.559","0.001","90","","9983.1","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H41 N5 O11 Zn2 -","- C49 H37.5 N5 O11 Zn2 -","- C392 H300 N40 O88 Zn16 -","8","1","","Guo, Hua-Dong; Qiu, Dong-Fang; Guo, Xian-Min; Zheng, Guo-Li; Wang, Xiao; Dang, Song; Zhang, Hong-Jie","Entangled metal‒organic frameworks modulated by N-donor ligands of different conformations","CrystEngComm","2009","11","11","2425","","10.1039/b905190m","","","0.71073","MoKα","","0.0865","0.0561","","","0.1928","0.216","","","","","","1.076","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201118","20.621","0.005","11.347","0.005","20.071","0.005","90","","90","","90","","4696","3","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C48 H38 N4 O8 Zn2 -","- C48 H38 N4 O8 Zn2 -","- C192 H152 N16 O32 Zn8 -","4","0.5","","Guo, Hua-Dong; Qiu, Dong-Fang; Guo, Xian-Min; Zheng, Guo-Li; Wang, Xiao; Dang, Song; Zhang, Hong-Jie","Entangled metal‒organic frameworks modulated by N-donor ligands of different conformations","CrystEngComm","2009","11","11","2425","","10.1039/b905190m","","","0.71069","MoKα","","0.1689","0.0617","","","0.1269","0.1818","","","","","","0.957","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201119","9.2973","0.0019","18.077","0.004","16.677","0.003","90","","92.36","0.03","90","","2800.5","1","173","2","173","2","","","","","","","","3","P 1 n 1","P -2yac","7","1,1,2,2-tetraphenylethane-1,2-diol . 2(tetrahydrofuran)","1,1,2,2-tetraphenylethane-1,2-diol . 2(tetrahydrofuran)","","- C34 H38 O4 -","- C34 H38 O4 -","- C136 H152 O16 -","4","2","","Ramon, Gaëlle; Jacobs, Ayesha; Masuku, Lungile Z. N.; Nassimbeni, Luigi R.","Selectivity by benzopinacol","CrystEngComm","2009","11","11","2332","","10.1039/b905248h","","","0.71073","MoKα","","0.0742","0.045","","","0.1016","0.1146","","","","","","1.031","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201120","9.418","0.002","17.609","0.004","18.846","0.004","94.39","0.03","102.14","0.03","103.64","0.03","2943.1","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1,1,2,2-tetraphenylethane-1,2-diol . 2(N,N-dimethylacetamide)","1,1,2,2-tetraphenylethane-1,2-diol . 2(N,N-dimethylacetamide)","","- C32 H40 N2 O4 -","- C34 H35.5 N2 O4 -","- C136 H142 N8 O16 -","4","2","","Ramon, Gaëlle; Jacobs, Ayesha; Masuku, Lungile Z. N.; Nassimbeni, Luigi R.","Selectivity by benzopinacol","CrystEngComm","2009","11","11","2332","","10.1039/b905248h","","","0.71073","MoKα","","0.1938","0.0873","","","0.218","0.2709","","","","","","1.058","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201121","9.4758","0.0019","17.394","0.004","18.878","0.004","93.91","0.03","102.08","0.03","104.66","0.03","2919.3","1.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1,1,2,2-tetraphenylethane-1,2-diol. 1.5(N,N- dimethylacetamide). 0.5(tetrahydrofuran)","1,1,2,2-tetraphenylethane-1,2-diol. 1.5(N,N-dimethylacetamide). 0.5(tetrahydrofuran)","","- C33 H38 N2 O4 -","- C33.5 H31.5 N2 O4 -","- C134 H126 N8 O16 -","4","2","","Ramon, Gaëlle; Jacobs, Ayesha; Masuku, Lungile Z. N.; Nassimbeni, Luigi R.","Selectivity by benzopinacol","CrystEngComm","2009","11","11","2332","","10.1039/b905248h","","","0.71073","MoKα","","0.0846","0.063","","","0.1807","0.1997","","","","","","1.01","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201123","13.6263","0.0002","13.6263","0.0002","45.9922","0.0013","90","","90","","90","","8539.7","0.3","173","2","173","2","","","","","","","","8","P 43 21 2","P 4nw 2abw","96","","","","- C34 H32 Ag Br4 F6 N4 O8 P -","- C34 H32 Ag Br4 F6 N4 O8 P -","- C272 H256 Ag8 Br32 F48 N32 O64 P8 -","8","1","","Noh, Tae Hwan; Choi, Youn Jung; Ryu, Yoon Kyong; Lee, Young-A; Jung, Ok-Sang","2-Fold interpenetration via ligand-induced alternating perpendicular helical channel motifs. Structure of an acentric diamondoid silver(I) coordination polymer","CrystEngComm","2009","11","11","2371","","10.1039/b905296h","","","0.71073","MoKα","","0.0887","0.0445","","","0.0948","0.112","","","","","","1.044","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201127","39.009","0.003","9.6104","0.0006","30.547","0.002","90","","120.865","0.001","90","","9830","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83 H64 Cu10 Eu4 N23 O32 -","- C83 H64 Cu10 Eu4 N23 O32 -","- C332 H256 Cu40 Eu16 N92 O128 -","4","0.5","","Li, Zhao-Yang; Wang, Ning; Dai, Jing-Wei; Yue, Shan-Tang; Liu, Ying-Liang","A series of novel 2D heterometallic 3d‒4f heptanuclear complexes based on the linkages of Ln2(ina)6 chains and [Cu(CN)] chains","CrystEngComm","2009","11","9","2003","","10.1039/b905398k","","","0.71073","MoKα","","0.0454","0.0341","","","0.0782","0.0841","","","","","","1.042","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201128","38.977","0.003","9.5906","0.0006","30.516","0.002","90","","120.994","0.001","90","","9778.6","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83 H64 Cu10 N23 O32 Tb4 -","- C83 H64 Cu10 N23 O32 Tb4 -","- C332 H256 Cu40 N92 O128 Tb16 -","4","0.5","","Li, Zhao-Yang; Wang, Ning; Dai, Jing-Wei; Yue, Shan-Tang; Liu, Ying-Liang","A series of novel 2D heterometallic 3d‒4f heptanuclear complexes based on the linkages of Ln2(ina)6 chains and [Cu(CN)] chains","CrystEngComm","2009","11","9","2003","","10.1039/b905398k","","","0.71073","MoKα","","0.0458","0.0343","","","0.0756","0.0808","","","","","","1.069","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201129","39.0134","0.0019","9.6043","0.0005","30.5304","0.0015","90","","120.886","0.001","90","","9817.4","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83 H64 Cu10 Gd4 N23 O32 -","- C83 H64 Cu10 Gd4 N23 O32 -","- C332 H256 Cu40 Gd16 N92 O128 -","4","0.5","","Li, Zhao-Yang; Wang, Ning; Dai, Jing-Wei; Yue, Shan-Tang; Liu, Ying-Liang","A series of novel 2D heterometallic 3d‒4f heptanuclear complexes based on the linkages of Ln2(ina)6 chains and [Cu(CN)] chains","CrystEngComm","2009","11","9","2003","","10.1039/b905398k","","","0.71073","MoKα","","0.0471","0.0348","","","0.0763","0.0821","","","","","","1.031","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201130","39.02","0.002","9.6088","0.0005","30.5665","0.0015","90","","120.82","0.001","90","","9842","0.9","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C83 H64 Cu10 N23 O32 Sm4 -","- C83 H64 Cu10 N23 O32 Sm4 -","- C332 H256 Cu40 N92 O128 Sm16 -","4","0.5","","Li, Zhao-Yang; Wang, Ning; Dai, Jing-Wei; Yue, Shan-Tang; Liu, Ying-Liang","A series of novel 2D heterometallic 3d‒4f heptanuclear complexes based on the linkages of Ln2(ina)6 chains and [Cu(CN)] chains","CrystEngComm","2009","11","9","2003","","10.1039/b905398k","","","0.71073","MoKα","","0.0514","0.0366","","","0.0829","0.0905","","","","","","1.042","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201131","17.6646","0.0017","9.5625","0.0009","30.623","0.003","90","","107.761","0.004","90","","4926.2","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C83 H64 Cu10 N23 Nd4 O32 -","- C83 H64 Cu10 N23 Nd4 O32 -","- C166 H128 Cu20 N46 Nd8 O64 -","2","0.5","","Li, Zhao-Yang; Wang, Ning; Dai, Jing-Wei; Yue, Shan-Tang; Liu, Ying-Liang","A series of novel 2D heterometallic 3d‒4f heptanuclear complexes based on the linkages of Ln2(ina)6 chains and [Cu(CN)] chains","CrystEngComm","2009","11","9","2003","","10.1039/b905398k","","","0.71073","MoKα","","0.0624","0.043","","","0.0938","0.1032","","","","","","1.032","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201132","15.4163","0.0008","16.004","0.0008","16.1065","0.0008","71.766","0.001","67.93","0.001","68.095","0.001","3347.1","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","((Cu(C12H8N2)2)(Cu(C12H8N2)2(H20)))2 (C56H40O32S8) (H2O)2","","","- C152 H112 Cu4 N16 O36 S8 -","- C152 H112 Cu4 N16 O36 S8 -","- C152 H112 Cu4 N16 O36 S8 -","1","0.5","","Liu, Yabing; Liao, Wuping; Bi, Yanfeng; Wang, Meiyan; Wu, Zhijian; Wang, Xiaofei; Su, Zhongmin; Zhang, Hongjie","1,2,3,4-Alternate double cone conformational extreme in the supramolecular assemblies of p-sulfonatocalix[8]arene","CrystEngComm","2009","11","9","1803","","10.1039/b905407n","","","0.71073","MoKα","","0.0818","0.0486","","","0.1225","0.1333","","","","","","1.016","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201133","15.262","0.003","16.038","0.004","16.236","0.004","71.345","0.003","67.762","0.002","68.625","0.003","3348.3","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","((Zn(C12H8N2)2)(Zn(C12H8N2)2(H20)))2 (C56H40O32S8) (H2O)2","","","- C152 H112 N16 O36 S8 Zn4 -","- C152 H112 N16 O36 S8 Zn4 -","- C152 H112 N16 O36 S8 Zn4 -","1","0.5","","Liu, Yabing; Liao, Wuping; Bi, Yanfeng; Wang, Meiyan; Wu, Zhijian; Wang, Xiaofei; Su, Zhongmin; Zhang, Hongjie","1,2,3,4-Alternate double cone conformational extreme in the supramolecular assemblies of p-sulfonatocalix[8]arene","CrystEngComm","2009","11","9","1803","","10.1039/b905407n","","","0.71073","MoKα","","0.0469","0.0369","","","0.0995","0.1035","","","","","","1.068","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201134","15.294","0.003","15.956","0.003","16.142","0.003","71.83","0.03","72.31","0.03","73.13","0.03","3481.6","1.4","186","2","186","2","","","","","","","","6","P -1","-P 1","2","((Cu(C12H8N2)2)(Cu(C12H8N2)2(H20)))2 (C56H40O32S8) (H2O)2","","","- C152 H112 Cu4 N16 O36 S8 -","- C152 H112 Cu4 N16 O36 S8 -","- C152 H112 Cu4 N16 O36 S8 -","1","0.5","","Liu, Yabing; Liao, Wuping; Bi, Yanfeng; Wang, Meiyan; Wu, Zhijian; Wang, Xiaofei; Su, Zhongmin; Zhang, Hongjie","1,2,3,4-Alternate double cone conformational extreme in the supramolecular assemblies of p-sulfonatocalix[8]arene","CrystEngComm","2009","11","9","1803","","10.1039/b905407n","","","0.71073","MoKα","","0.1056","0.0673","","","0.152","0.1682","","","","","","1.054","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201137","12.116","0.002","9.3247","0.0019","13.73","0.003","90","","93.52","0.03","90","","1548.3","0.5","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 Cl4 N2 Pd -","- C32 H40 Cl4 N2 Pd -","- C64 H80 Cl8 N4 Pd2 -","2","0.5","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.0927","0.0556","","","0.1072","0.12","","","","","","0.983","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201138","9.494","0.0019","15.26","0.003","13.493","0.003","90","","99.13","0.03","90","","1930.1","0.7","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 Cl6 N2 Pd2 -","- C36 H48 Cl6 N2 Pd2 -","- C72 H96 Cl12 N4 Pd4 -","2","0.5","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.0457","0.0341","","","0.0686","0.0728","","","","","","1.033","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201139","9.564","0.0019","10.679","0.002","11.417","0.002","97.17","0.03","107.55","0.03","114.8","0.03","965.8","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 Cl6 N2 Pd2 -","- C36 H48 Cl6 N2 Pd2 -","- C36 H48 Cl6 N2 Pd2 -","1","0.5","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.1326","0.0694","","","0.1075","0.1246","","","","","","1.022","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201140","10.332","0.002","10.381","0.002","11.125","0.002","107.93","0.03","105.75","0.03","109.92","0.03","968.3","0.6","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 Cl6 N2 Pd2 -","- C36 H48 Cl6 N2 Pd2 -","- C36 H48 Cl6 N2 Pd2 -","1","0.5","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.0514","0.0378","","","0.0695","0.0737","","","","","","1.031","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201141","8.534","0.0017","10.496","0.002","10.809","0.002","67.6","0.03","75.21","0.03","79.37","0.03","861.4","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 Cl4 N2 Pd -","- C36 H48 Cl4 N2 Pd -","- C36 H48 Cl4 N2 Pd -","1","0.5","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71069","MoKα","","0.0389","0.034","","","0.073","0.0749","","","","","","1.046","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201142","15.791","0.003","11.54","0.002","18.86","0.004","90","","93.92","0.03","90","","3428.8","1.1","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Cl4 N2 Pd -","- C36 H48 Cl4 N2 Pd -","- C144 H192 Cl16 N8 Pd4 -","4","1","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.0945","0.0563","","","0.1004","0.1118","","","","","","1.046","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201143","14.488","0.003","16.31","0.003","17.107","0.003","90","","105.13","0.03","90","","3902.2","1.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Cl6 N2 Pd2 -","- C36 H48 Cl6 N2 Pd2 -","- C144 H192 Cl24 N8 Pd8 -","4","1","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.1277","0.0563","","","0.0829","0.0995","","","","","","1.008","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201144","17.3444","0.0003","14.4107","0.0004","17.3961","0.0004","90","","118.501","0.001","90","","3821.12","0.16","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 Cl6 N2 Pd2 -","- C36 H48 Cl6 N2 Pd2 -","- C144 H192 Cl24 N8 Pd8 -","4","1","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.0871","0.0466","","","0.0832","0.0939","","","","","","1.032","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201145","9.228","0.0018","13.467","0.003","13.912","0.003","90","","98.45","0.03","90","","1710.1","0.6","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H40 Cl6 N2 Pd2 -","- C32 H40 Cl6 N2 Pd2 -","- C64 H80 Cl12 N4 Pd4 -","2","0.5","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.1829","0.0812","","","0.1375","0.1696","","","","","","1.003","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201146","11.223","0.002","10.657","0.002","15.065","0.003","90","","93.66","0.03","90","","1798.2","0.6","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Cl4 N2 Pd -","- C36 H48 Cl4 N2 Pd -","- C72 H96 Cl8 N4 Pd2 -","2","0.5","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.1612","0.0671","","","0.1406","0.1719","","","","","","1.011","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201147","8.642","0.0017","10.201","0.002","10.998","0.002","63.85","0.03","82.5","0.03","65.19","0.03","788.2","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H40 Cl4 N2 Pd -","- C32 H40 Cl4 N2 Pd -","- C32 H40 Cl4 N2 Pd -","1","0.5","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.0481","0.038","","","0.0778","0.0816","","","","","","1.048","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201148","8.277","0.0017","10.612","0.002","11.527","0.002","107.25","0.03","105.75","0.03","103.75","0.03","873.1","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 Cl4 N2 Pd -","- C36 H48 Cl4 N2 Pd -","- C36 H48 Cl4 N2 Pd -","1","0.5","","Peuronen, Anssi; Lahtinen, Manu; Valkonen, Jussi","The conformational polymorphism and weak interactions in solid state structures of ten new monomeric and dimeric substituted dibenzyldimethylammonium chloridopalladate salts","CrystEngComm","2009","11","11","2344","","10.1039/b905421a","","","0.71073","MoKα","","0.0379","0.0323","","","0.0695","0.0719","","","","","","1.016","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201149","14.957","0.004","25.307","0.006","14.785","0.003","90","","90.579","0.005","90","","5596","2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H60 Cu2 N4 O14 -","- C60 H60 Cu2 N4 O14 -","- C240 H240 Cu8 N16 O56 -","4","1","","Liu, Jian-Qiang; Wang, Yao-Yu; Liu, Ping; Dong, Zhe; Shi, Qi-Zhen; Batten, Stuart R.","Two coordination polymers displaying unusual threefold 1D\ρightarrow 1D and threefold 2D→3D interpenetration topologies","CrystEngComm","2009","11","7","1207","","10.1039/b905427h","","","0.71073","MoKα","","0.1419","0.0597","","","0.1473","0.1673","","","","","","0.859","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201150","17.868","0.003","19.035","0.004","14.429","0.003","90","","101.648","0.003","90","","4806.5","1.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49 H50 Co2 N2 O14 -","- C49 H50 Co2 N2 O14 -","- C196 H200 Co8 N8 O56 -","4","1","","Liu, Jian-Qiang; Wang, Yao-Yu; Liu, Ping; Dong, Zhe; Shi, Qi-Zhen; Batten, Stuart R.","Two coordination polymers displaying unusual threefold 1D\ρightarrow 1D and threefold 2D→3D interpenetration topologies","CrystEngComm","2009","11","7","1207","","10.1039/b905427h","","","0.71073","MoKα","","0.1426","0.0661","","","0.1745","0.2272","","","","","","1.013","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201151","10.1901","0.0017","14.441","0.002","14.56","0.002","77.697","0.006","76.965","0.006","73.843","0.005","1978.9","0.5","103.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C72 H40 Cl8 F8 N8 O16 Ru4 S2 -","- C72 H40 Cl8 F8 N8 O16 Ru4 S2 -","- C72 H40 Cl8 F8 N8 O16 Ru4 S2 -","1","0.5","","Motokawa, N.; Oyama, T.; Matsunaga, S.; Miyasaka, H.; Yamashita, M.; Dunbar, K. R.","Charge-transfer two-dimensional layers constructed from a 2 : 1 assembly of paddlewheel diruthenium(II,II) complexes and bis[1,2,5]thiadizolotetracyanoquinodimethane: bulk magnetic behavior as a function of inter-layer interactions","CrystEngComm","2009","11","10","2121","","10.1039/b905486c","","","0.71075","MoKa","","","0.0539","","","","0.1299","","","","","","1.067","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201152","10.5292","0.0001","13.169","0.0005","15.8886","0.0002","80.575","0.009","79.368","0.007","74.815","0.009","2074.14","0.13","93.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C84 H50 Cl6 F8 N8 O16 Ru4 S2 -","- C84 H50 Cl6 F8 N8 O16 Ru4 S2 -","- C84 H50 Cl6 F8 N8 O16 Ru4 S2 -","1","0.5","","Motokawa, N.; Oyama, T.; Matsunaga, S.; Miyasaka, H.; Yamashita, M.; Dunbar, K. R.","Charge-transfer two-dimensional layers constructed from a 2 : 1 assembly of paddlewheel diruthenium(II,II) complexes and bis[1,2,5]thiadizolotetracyanoquinodimethane: bulk magnetic behavior as a function of inter-layer interactions","CrystEngComm","2009","11","10","2121","","10.1039/b905486c","","","0.7107","MoKa","","","0.0645","","","","0.2097","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201153","10.7149","0.0005","11.8405","0.0005","15.6861","0.0006","90","","132.593","0.002","90","","1465.07","0.12","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","thiophanate-methyl","","","- C12 H14 N4 O4 S2 -","- C12 H14 N4 O4 S2 -","- C48 H56 N16 O16 S8 -","4","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0453","0.0402","","","0.1128","0.1199","","","","","","1.187","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201154","8.9524","0.0018","20.073","0.004","8.9959","0.0018","90","","107.48","0.03","90","","1541.9","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","thiophanate-methyl","","","- C12 H14 N4 O4 S2 -","- C12 H14 N4 O4 S2 -","- C48 H56 N16 O16 S8 -","4","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0467","0.0415","","","0.1078","0.1125","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201155","10.641","0.002","13.751","0.003","20.181","0.004","74.62","0.03","85.49","0.03","77.97","0.03","2783.8","1.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","thiophanate-methyl,acetonitrile monohydrate","","","- C41 H51.5 N14.5 O13 S6 -","- C41 H49.5 N14.5 O13 S6 -","- C82 H99 N29 O26 S12 -","2","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.1099","0.0725","","","0.1745","0.2014","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201156","9.313","0.006","10.145","0.006","10.777","0.007","83.04","0.04","80","0.04","80.12","0.04","983.5","1.1","103","2","103","2","","","","","","","","6","P -1","-P 1","2","thiophanate-methyl, dichloromethane","","","- C13 H16 Cl2 N4 O4 S2 -","- C13 H16 Cl2 N4 O4 S2 -","- C26 H32 Cl4 N8 O8 S4 -","2","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0835","0.0684","","","0.1772","0.1881","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201157","9.313","0.002","10.15","0.002","10.735","0.002","82.061","0.011","79.396","0.012","79.411","0.012","974.7","0.3","103","2","103","2","","","","","","","","6","P -1","-P 1","2","thiophanate-methyl, 1,2-dichloromethane","","","- C14 H18 Cl2 N4 O4 S2 -","- C14 H18 Cl2 N4 O4 S2 -","- C28 H36 Cl4 N8 O8 S4 -","2","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0418","0.0358","","","0.091","0.0934","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201158","10.016","0.003","11.43","0.003","15.904","0.005","101.734","0.01","90.33","0.011","107.692","0.009","1693.9","0.9","103","2","103","2","","","","","","","","5","P -1","-P 1","2","thiophanate-methyl, methanol","","","- C25 H32 N8 O9 S4 -","- C25 H28 N8 O9 S4 -","- C50 H56 N16 O18 S8 -","2","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.1077","0.0726","","","0.1975","0.2339","","","","","","1.104","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201159","9.8415","0.0019","11.37","0.002","15.988","0.003","78.986","0.01","89.335","0.01","72.146","0.011","1669.4","0.6","103","2","103","2","","","","","","","","5","P -1","-P 1","2","thiophanate-methyl, ethanol","","","- C26 H34 N8 O9 S4 -","- C26 H34 N8 O9 S4 -","- C52 H68 N16 O18 S8 -","2","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.1835","0.1717","","","0.4942","0.4969","","","","","","2.166","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201160","10.206","0.002","11.153","0.002","17.062","0.003","76.69","0.03","86.07","0.03","72.46","0.03","1802.1","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H34 N8 O9 S4 -","- C27 H34 N8 O9 S4 -","- C54 H68 N16 O18 S8 -","2","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0555","0.0487","","","0.1271","0.134","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201161","11.277","0.003","17.368","0.004","19.902","0.005","92.21","0.012","103.76","0.011","100.772","0.01","3705.3","1.6","103","2","103","2","","","","","","","","5","P -1","-P 1","2","thiophanate-methyl, cyclohexanone","","","- C30 H38 N8 O9 S4 -","- C30 H38 N8 O9 S4 -","- C120 H152 N32 O36 S16 -","4","2","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0655","0.0411","","","0.0938","0.104","","","","","","1.038","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201162","26.524","0.015","10.321","0.005","17.428","0.01","90","","94.66","0.03","90","","4755","4","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","thiophanate-methyl, dimethylsulfoxide","","","- C14 H20 N4 O5 S3 -","- C14 H20 N4 O5 S3 -","- C112 H160 N32 O40 S24 -","8","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.1186","0.0899","","","0.2145","0.225","","","","","","0.988","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201163","10.626","0.002","14.706","0.003","14.739","0.003","63.51","0.03","77.34","0.03","74.82","0.03","1975.4","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","thiophanate-methyl, chloroform","","","- C13 H15 Cl3 N4 O4 S2 -","- C13 H15 Cl3 N4 O4 S2 -","- C52 H60 Cl12 N16 O16 S8 -","4","2","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0716","0.0557","","","0.1358","0.1479","","","","","","1.027","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201164","10.5457","0.0019","14.47","0.003","14.592","0.002","65.317","0.008","77.658","0.01","76.287","0.01","1948.9","0.6","103","2","103","2","","","","","","","","5","P -1","-P 1","2","thiophanate-methyl, tetrahydrofuran","","","- C16 H22 N4 O5 S2 -","- C16 H22 N4 O5 S2 -","- C64 H88 N16 O20 S8 -","4","2","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0606","0.0526","","","0.1494","0.1534","","","","","","1.123","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201165","21.97","0.01","11.428","0.005","17.147","0.007","90","","111.244","0.018","90","","4013","3","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","thiophanate-methyl, dioxane","","","- C16 H22 N4 O6 S2 -","- C16 H22 N4 O6 S2 -","- C128 H176 N32 O48 S16 -","8","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0741","0.0679","","","0.1866","0.1954","","","","","","1.079","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201166","8.2439","0.001","10.6899","0.0012","12.4925","0.0015","67.892","0.005","81.442","0.006","74.153","0.005","979.9","0.2","103","2","103","2","","","","","","","","5","P -1","-P 1","2","thiophanate-methyl, pyridine","","","- C17 H19 N5 O4 S2 -","- C17 H19 N5 O4 S2 -","- C34 H38 N10 O8 S4 -","2","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0447","0.0434","","","0.1082","0.109","","","","","","1.167","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201167","7.9951","0.0007","9.5484","0.0009","14.7017","0.0011","81.91","0.004","84.862","0.004","73.646","0.004","1064.73","0.16","103","2","103","2","","","","","","","","6","P -1","-P 1","2","thiophanate-methyl, 1,2-dichlorobenzene","","","- C18 H18 Cl2 N4 O4 S2 -","- C18 H18 Cl2 N4 O4 S2 -","- C36 H36 Cl4 N8 O8 S4 -","2","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0472","0.0459","","","0.1127","0.1138","","","","","","1.201","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201168","8.4106","0.0008","9.9524","0.0009","12.9517","0.0012","107.946","0.004","101.732","0.005","96.683","0.004","991.01","0.16","103","2","103","2","","","","","","","","5","P -1","-P 1","2","thiophanate-methyl, benzene","","","- C18 H20 N4 O4 S2 -","- C18 H20 N4 O4 S2 -","- C36 H40 N8 O8 S4 -","2","1","","Nauha, Elisa; Saxell, Heidi; Nissinen, Maija; Kolehmainen, Erkki; Schäfer, Ansgar; Schlecker, Rainer","Polymorphism and versatile solvate formation of thiophanate-methyl","CrystEngComm","2009","11","11","2536","","10.1039/b905511h","","","1.54178","CuKα","","0.0413","0.0373","","","0.0889","0.0908","","","","","","1.106","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201169","12.2064","0.0019","14.77","0.002","17.428","0.003","97.289","0.004","103.462","0.003","107.88","0.003","2840.6","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H49 Br4 Cl3 N12 -","- C51 H49 Br4 Cl3 N12 -","- C102 H98 Br8 Cl6 N24 -","2","1","","Yin, Zhenming; Wang, Wuyan; Du, Miao; Wang, Xiuguang; Guo, Jianhua","Crystal engineering of 5,5′-bisdiazo-dipyrromethane with halogen⋯π synthons","CrystEngComm","2009","11","11","2441","","10.1039/b905568a","","","0.71073","MoKα","","0.1717","0.065","","","0.1565","0.2029","","","","","","1.004","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201170","12.1","0.005","14.317","0.005","17.195","0.006","96.321","0.004","103.106","0.004","108.281","0.006","2701.4","1.7","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H49 Cl7 N12 -","- C51 H49 Cl7 N12 -","- C102 H98 Cl14 N24 -","2","1","","Yin, Zhenming; Wang, Wuyan; Du, Miao; Wang, Xiuguang; Guo, Jianhua","Crystal engineering of 5,5′-bisdiazo-dipyrromethane with halogen⋯π synthons","CrystEngComm","2009","11","11","2441","","10.1039/b905568a","","","0.7107","MoKα","","0.1063","0.0876","","","0.2593","0.2788","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201171","18.212","0.004","20.863","0.004","29.126","0.006","90","","90","","90","","11067","4","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C54 H56 I4 N12 O2 -","- C54 H56 I4 N12 O2 -","- C432 H448 I32 N96 O16 -","8","1","","Yin, Zhenming; Wang, Wuyan; Du, Miao; Wang, Xiuguang; Guo, Jianhua","Crystal engineering of 5,5′-bisdiazo-dipyrromethane with halogen⋯π synthons","CrystEngComm","2009","11","11","2441","","10.1039/b905568a","","","0.71073","MoKα","","0.0894","0.0615","","","0.1354","0.1516","","","","","","1.08","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201172","8.2044","0.0005","10.5939","0.0006","12.6014","0.0007","111.339","0.002","97.147","0.002","99.073","0.002","987.54","0.1","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H40 Cl2 Cu2 N10 O10 S4 -","- C28 H40 Cl2 Cu2 N10 O10 S4 -","- C28 H40 Cl2 Cu2 N10 O10 S4 -","1","0.5","","Balasubramanian, Vimalkumar; Ezhevskaya, Maria; Moons, Hans; Neuburger, Markus; Cristescu, Carol; Van Doorslaer, Sabine; Palivan, Cornelia","Structural characterization of a highly active superoxide-dismutase mimic","Physical Chemistry Chemical Physics","2009","11","31","6778","6787","10.1039/b905593b","","","0.71073","MoKα","","0.0788","0.0421","","0.0623","0.0377","0.0365","","","","","","1.1069","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201173","8.275","0.002","8.9203","0.0011","10.5938","0.0013","83.58","0.01","71.981","0.017","72.249","0.015","708.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H14 Gd N3 O10 -","- C9 H14 Gd N3 O10 -","- C18 H28 Gd2 N6 O20 -","2","1","","Han, Zheng-Bo; Zhang, Guo-Xin; Zeng, Ming-Hua; Ge, Chun-Hua; Zou, Xiao-Hong; Han, Guang-Xi","Synthesis, crystal structure and magnetic properties of two 3-D gadolinium complexes","CrystEngComm","2009","11","12","2629","","10.1039/b905663g","","","0.71073","MoKα","","0.0314","0.0246","","","0.0625","0.0831","","","","","","1.023","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201174","7.9626","0.0018","12.1331","0.0019","13.3182","0.0012","111.951","0.011","104.938","0.013","91.576","0.016","1142","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H25 Gd N4 O13 -","- C15 H19 Gd N4 O13 -","- C30 H38 Gd2 N8 O26 -","2","1","","Han, Zheng-Bo; Zhang, Guo-Xin; Zeng, Ming-Hua; Ge, Chun-Hua; Zou, Xiao-Hong; Han, Guang-Xi","Synthesis, crystal structure and magnetic properties of two 3-D gadolinium complexes","CrystEngComm","2009","11","12","2629","","10.1039/b905663g","","","0.71073","MoKα","","0.0417","0.0384","","","0.1021","0.104","","","","","","1.113","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201175","11.4821","0.0011","6.3061","0.0006","14.7581","0.0014","90","","107.368","0.002","90","","1019.87","0.17","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 Cu N4 O3 -","- C9 H6 Cu N4 O3 -","- C36 H24 Cu4 N16 O12 -","4","1","","Kostakis, George E.; Chandra Mondal, Kartik; Abbas, Ghulam; Lan, Yanhua; Novitchi, Ghenadie; Buth, Gernot; Anson, Christopher E.; Powell, Annie K.","[Cu(N3)(p-CPA)]n: a two dimensional network exhibiting spin reorientation","CrystEngComm","2009","11","10","2084","","10.1039/b905707b","","","0.8","synchrotron","","0.0263","0.0244","","","0.0681","0.0689","","","","","","1.012","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201181","7.2243","0.0008","12.131","0.0012","22.654","0.003","90","","96.066","0.006","90","","1974.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cu2 N2 O10 -","- C20 H12 Cu2 N2 O10 -","- C80 H48 Cu8 N8 O40 -","4","1","","Zhang, Lei; Li, Zhao-Ji; Lin, Qi-Pu; Zhang, Jian; Yin, Pei-Xiu; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Novel (3,6)-connected network and (4,6)-connected framework in two copper(II) and cadmium(II) complexes of flexible (2S,3S,4R,5R)-tetrahydrofurantetracarboxylic acid: synthesis, structure, thermostability, and luminescence studies","CrystEngComm","2009","11","9","1934","","10.1039/b905794c","","","0.71073","MoKα","","0.068","0.0549","","","0.1385","0.149","","","","","","1.016","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201182","6.481","0.0006","26.9381","0.0016","8.3967","0.0006","90","","120.004","0.005","90","","1269.49","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Cd2 O12 -","- C8 H10 Cd2 O12 -","- C32 H40 Cd8 O48 -","4","1","","Zhang, Lei; Li, Zhao-Ji; Lin, Qi-Pu; Zhang, Jian; Yin, Pei-Xiu; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen","Novel (3,6)-connected network and (4,6)-connected framework in two copper(II) and cadmium(II) complexes of flexible (2S,3S,4R,5R)-tetrahydrofurantetracarboxylic acid: synthesis, structure, thermostability, and luminescence studies","CrystEngComm","2009","11","9","1934","","10.1039/b905794c","","","0.71073","MoKα","","0.0269","0.0248","","","0.064","0.0652","","","","","","1.031","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201185","78.612","0.003","10.6365","0.0005","9.6012","0.0004","90","","90","","90","","8028.1","0.6","293","2","293","2","","","","","","","synthesis as described","6","C m c 21","C 2c -2","36","","","","- C20 H26 Cl5 Mn2 O5 S16 -","- C20 H21 Cl5 Mn2 O5 S16 -","- C160 H168 Cl40 Mn16 O40 S128 -","8","1","","Zorina, Leokadiya V.; Prokhorova, Tat'yana G.; Khasanov, Salavat S.; Simonov, Sergey V.; Zverev, Vladimir N.; Korobenko, Alexey V.; Putrya, Anna V.; Mironov, Vladimir S.; Canadell, Enric; Shibaeva, Rimma P.; Yagubskii, Eduard B.","A new hybrid molecular metal assembling a BEDT-TTF conducting network and the magnetic chain anion [Mn2Cl5(H2O)5]−∞: α-(BEDT-TTF)2[Mn2Cl5(H2O)5]","CrystEngComm","2009","11","10","2102","","10.1039/b905840k","","","0.71073","MoKα","","0.0703","0.0504","","","0.1336","0.1428","","","","","","1.052","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201186","7.435","0.002","6.1034","0.0019","17.069","0.006","90","","90.094","0.007","90","","774.6","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H6 N2 O3 -","- C9 H6 N2 O3 -","- C36 H24 N8 O12 -","4","1","","Nizhnik, Yakov P.; Lu, Jianjiang; Rosokha, Sergiy V.; Kochi, Jay K.","Trimorphism of a model carcinogen 4-nitroquinoline-N-oxide","CrystEngComm","2009","11","11","2400","","10.1039/b905845a","","","0.71073","MoKα","","0.1045","0.0861","","","0.1895","0.1963","","","","","","1.162","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201187","5.0709","0.001","6.1246","0.0012","25.5","0.005","90","","90","","90","","792","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H6 N2 O3 -","- C9 H6 N2 O3 -","- C36 H24 N8 O12 -","4","1","","Nizhnik, Yakov P.; Lu, Jianjiang; Rosokha, Sergiy V.; Kochi, Jay K.","Trimorphism of a model carcinogen 4-nitroquinoline-N-oxide","CrystEngComm","2009","11","11","2400","","10.1039/b905845a","","","0.71073","MoKα","","0.0865","0.0586","","","0.0995","0.11","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201188","6.3272","0.0002","6.8535","0.0002","6.9057","0.0002","112.863","0.002","102.779","0.002","103.167","0.002","252.162","0.015","123","1","123","1","","","","","","","","5","P -1","-P 1","2","[Cu(CAN)2(pyz)]","catena[bis(nitrocyanamide)(pyrazine)Copper(II)]","","- C6 H4 Cu N8 O4 -","- C6 H4 Cu N8 O4 -","- C6 H4 Cu N8 O4 -","1","0.5","","Kutasi, Anna M.; Turner, David R.; Jensen, Paul; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Coordination polymers of nitrocyanamide, O2NNCN−: synthesis, structure and magnetism","CrystEngComm","2009","11","10","2089","","10.1039/b905970a","","","0.71073","MoKα","","0.0379","0.0335","","","0.0863","0.0886","","","","","","1.136","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201189","6.7301","0.0001","7.091","0.0001","8.6218","0.0002","109.184","0.001","90.647","0.001","107.858","0.001","367.002","0.012","123","1","123","1","","","","","","","","5","P -1","-P 1","2","{[Cu(CAN)2(pyz)(H2O)2].2H2O}","catena[bis(aqua)bis(nitrocyanamide)(pyrazine)copper(II)] dihydrate","","- C6 H12 Co N8 O8 -","- C6 H12 Co N8 O8 -","- C6 H12 Co N8 O8 -","1","0.5","","Kutasi, Anna M.; Turner, David R.; Jensen, Paul; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Coordination polymers of nitrocyanamide, O2NNCN−: synthesis, structure and magnetism","CrystEngComm","2009","11","10","2089","","10.1039/b905970a","","","0.71073","MoKα","","0.0313","0.025","","","0.0548","0.0565","","","","","","1.075","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201190","6.7652","0.0001","7.1822","0.0001","8.6218","0.0002","109.404","0.001","90.408","0.001","108.002","0.001","372.961","0.012","123","1","123","1","","","","","","","","5","P -1","-P 1","2","{[Fe(CAN)2(pyz)(H2O)2].2H2O}","catena[bis(aqua)bis(nitrocyanamide)(pyrazine)iron(II)] dihydrate","","- C6 H12 Fe N8 O8 -","- C6 H12 Fe N8 O8 -","- C6 H12 Fe N8 O8 -","1","0.5","","Kutasi, Anna M.; Turner, David R.; Jensen, Paul; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Coordination polymers of nitrocyanamide, O2NNCN−: synthesis, structure and magnetism","CrystEngComm","2009","11","10","2089","","10.1039/b905970a","","","0.71073","MoKα","","0.0299","0.0244","","","0.0561","0.0579","","","","","","1.057","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201191","7.2816","0.0002","11.3892","0.0002","15.2587","0.0005","90","","102.407","0.001","90","","1235.88","0.06","123","1","123","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","[Co(CAN)2(4,4'-bipy)(H2O)2].4,4'-bipy","[Co(CAN)2(4,4'-bipy)(H2O)2].4,4'-bipy","","- C22 H20 Co N10 O6 -","- C22 H20 Co N10 O6 -","- C44 H40 Co2 N20 O12 -","2","0.5","","Kutasi, Anna M.; Turner, David R.; Jensen, Paul; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Coordination polymers of nitrocyanamide, O2NNCN−: synthesis, structure and magnetism","CrystEngComm","2009","11","10","2089","","10.1039/b905970a","","","0.71073","MoKα","","0.1","0.0594","","","0.0801","0.0899","","","","","","1.062","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201192","7.2742","0.0001","11.485","0.0002","15.2616","0.0003","90","","102.364","0.001","90","","1245.45","0.04","123","1","123","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","{[Fe(CAN)2(4,4'-bipy)(H2O)2].4,4'-bipy}","{[Fe(CAN)2(4,4'-bipy)(H2O)2].4,4'-bipy}","","- C22 H20 Fe N10 O6 -","- C22 H20 Fe N10 O6 -","- C44 H40 Fe2 N20 O12 -","2","0.5","","Kutasi, Anna M.; Turner, David R.; Jensen, Paul; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Coordination polymers of nitrocyanamide, O2NNCN−: synthesis, structure and magnetism","CrystEngComm","2009","11","10","2089","","10.1039/b905970a","","","0.71073","MoKα","","0.0519","0.0391","","","0.0698","0.0733","","","","","","1.068","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201193","7.3102","0.0001","11.59","0.0002","15.2784","0.0003","90","","101.865","0.001","90","","1266.81","0.04","123","1","123","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","{[Mn(CAN)2(4,4'-bipy)(H2O)2].4,4'-bipy}","{[Mn(CAN)2(4,4'-bipy)(H2O)2].4,4'-bipy}","","- C22 H20 Mn N10 O6 -","- C22 H20 Mn N10 O6 -","- C44 H40 Mn2 N20 O12 -","2","0.5","","Kutasi, Anna M.; Turner, David R.; Jensen, Paul; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.","Coordination polymers of nitrocyanamide, O2NNCN−: synthesis, structure and magnetism","CrystEngComm","2009","11","10","2089","","10.1039/b905970a","","","0.71073","MoKα","","0.0648","0.0378","","","0.0893","0.1013","","","","","","1.071","","","","has coordinates","180342","2020-10-21","18:00:00",""
"7201194","10.0757","0.0018","13.044","0.002","13.736","0.003","99.469","0.003","103.364","0.002","105.094","0.002","1646.6","0.5","60","2","60","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu F12 N4 O6 -","- C28 H30 Cu F12 N4 O6 -","- C56 H60 Cu2 F24 N8 O12 -","2","1","","Fedin, Matvey V.; Veber, Sergey L.; Romanenko, Galina V.; Ovcharenko, Victor I.; Sagdeev, Renad Z.; Klihm, Gudrun; Reijerse, Edward; Lubitz, Wolfgang; Bagryanskaya, Elena G.","Dynamic mixing processes in spin triads of “breathing crystals” Cu(hfac)2LR: a multifrequency EPR study at 34, 122 and 244 GHz","Physical Chemistry Chemical Physics","2009","11","31","6654","6663","10.1039/b906007c","","","0.71073","MoKα","","0.0508","0.0422","","","0.102","0.1061","","","","","","1.057","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201195","10.086","0.003","12.989","0.004","13.689","0.005","99.323","0.006","103.599","0.006","104.982","0.005","1635.7","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu F12 N4 O6 -","- C28 H30 Cu F12 N4 O6 -","- C56 H60 Cu2 F24 N8 O12 -","2","1","","Fedin, Matvey V.; Veber, Sergey L.; Romanenko, Galina V.; Ovcharenko, Victor I.; Sagdeev, Renad Z.; Klihm, Gudrun; Reijerse, Edward; Lubitz, Wolfgang; Bagryanskaya, Elena G.","Dynamic mixing processes in spin triads of “breathing crystals” Cu(hfac)2LR: a multifrequency EPR study at 34, 122 and 244 GHz","Physical Chemistry Chemical Physics","2009","11","31","6654","6663","10.1039/b906007c","","","0.71073","MoKα","","0.0332","0.031","","","0.0872","0.0884","","","","","","1.057","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201196","10.141","0.002","12.98","0.003","13.738","0.003","99.39","0.003","103.585","0.003","104.953","0.003","1649.3","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu F12 N4 O6 -","- C28 H30 Cu F12 N4 O6 -","- C56 H60 Cu2 F24 N8 O12 -","2","1","","Fedin, Matvey V.; Veber, Sergey L.; Romanenko, Galina V.; Ovcharenko, Victor I.; Sagdeev, Renad Z.; Klihm, Gudrun; Reijerse, Edward; Lubitz, Wolfgang; Bagryanskaya, Elena G.","Dynamic mixing processes in spin triads of “breathing crystals” Cu(hfac)2LR: a multifrequency EPR study at 34, 122 and 244 GHz","Physical Chemistry Chemical Physics","2009","11","31","6654","6663","10.1039/b906007c","","","0.71073","MoKα","","0.0625","0.0496","","","0.1181","0.1245","","","","","","1.048","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201197","10.2433","0.0018","13.051","0.002","13.874","0.003","99.494","0.003","103.534","0.003","104.78","0.003","1693.1","0.5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu F12 N4 O6 -","- C28 H30 Cu F12 N4 O6 -","- C56 H60 Cu2 F24 N8 O12 -","2","1","","Fedin, Matvey V.; Veber, Sergey L.; Romanenko, Galina V.; Ovcharenko, Victor I.; Sagdeev, Renad Z.; Klihm, Gudrun; Reijerse, Edward; Lubitz, Wolfgang; Bagryanskaya, Elena G.","Dynamic mixing processes in spin triads of “breathing crystals” Cu(hfac)2LR: a multifrequency EPR study at 34, 122 and 244 GHz","Physical Chemistry Chemical Physics","2009","11","31","6654","6663","10.1039/b906007c","","","0.71073","MoKα","","0.0631","0.0495","","","0.1174","0.124","","","","","","1.084","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201198","10.276","0.002","12.984","0.003","13.88","0.003","99.1","0.03","104.02","0.03","104.2","0.03","1694.6","0.8","240","2","240","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu F12 N4 O6 -","- C28 H30 Cu F12 N4 O6 -","- C56 H60 Cu2 F24 N8 O12 -","2","1","","Fedin, Matvey V.; Veber, Sergey L.; Romanenko, Galina V.; Ovcharenko, Victor I.; Sagdeev, Renad Z.; Klihm, Gudrun; Reijerse, Edward; Lubitz, Wolfgang; Bagryanskaya, Elena G.","Dynamic mixing processes in spin triads of “breathing crystals” Cu(hfac)2LR: a multifrequency EPR study at 34, 122 and 244 GHz","Physical Chemistry Chemical Physics","2009","11","31","6654","6663","10.1039/b906007c","","","0.71073","MoKα","","0.0699","0.0618","","","0.1772","0.1867","","","","","","1.033","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201199","10.387","0.006","13.198","0.007","14.134","0.008","100.262","0.008","103.434","0.009","103.705","0.008","1774.3","1.7","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H30 Cu F12 N4 O6 -","- C28 H30 Cu F12 N4 O6 -","- C56 H60 Cu2 F24 N8 O12 -","2","1","","Fedin, Matvey V.; Veber, Sergey L.; Romanenko, Galina V.; Ovcharenko, Victor I.; Sagdeev, Renad Z.; Klihm, Gudrun; Reijerse, Edward; Lubitz, Wolfgang; Bagryanskaya, Elena G.","Dynamic mixing processes in spin triads of “breathing crystals” Cu(hfac)2LR: a multifrequency EPR study at 34, 122 and 244 GHz","Physical Chemistry Chemical Physics","2009","11","31","6654","6663","10.1039/b906007c","","","0.71073","MoKα","","0.0736","0.0504","","","0.1337","0.1532","","","","","","1.046","","","","has coordinates,has disorder","180342","2020-10-21","18:00:00",""
"7201200","18.041","0.002","11.085","0.001","14.137","0.002","90","","105.013","0.002","90","","2730.7","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 I N2 -","- C13 H17 I N2 -","- C104 H136 I8 N16 -","8","2","","Dean, Pamela M.; Golding, Jacob J.; Pringle, Jennifer M.; Forsyth, Maria; Skelton, Brian W.; White, Allan H.; MacFarlane, Douglas R.","The effect of alkyl chain length in a series of novel N-alkyl-3-benzylimidazolium iodide salts","CrystEngComm","2009","11","11","2456","","10.1039/b906142h","","","0.71073","MoKα","","0.0515","0.0329","","","0.0837","0.0967","","","","","","1.115","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7201201","8.232","0.002","9.316","0.002","10.209","0.003","86.158","0.005","84.638","0.005","64.69","0.004","704.4","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 I N2 -","- C14 H19 I N2 -","- C28 H38 I2 N4 -","2","1","","Dean, Pamela M.; Golding, Jacob J.; Pringle, Jennifer M.; Forsyth, Maria; Skelton, Brian W.; White, Allan H.; MacFarlane, Douglas R.","The effect of alkyl chain length in a series of novel N-alkyl-3-benzylimidazolium iodide salts","CrystEngComm","2009","11","11","2456","","10.1039/b906142h","","","0.71073","MoKα","","0.0256","0.0244","","","0.0631","0.0638","","","","","","1.107","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201202","12.5337","0.0001","11.6484","0.0001","17.1447","0.0002","90","","90","","90","","2503.08","0.04","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H15 I N2 -","- C12 H15 I N2 -","- C96 H120 I8 N16 -","8","1","","Dean, Pamela M.; Golding, Jacob J.; Pringle, Jennifer M.; Forsyth, Maria; Skelton, Brian W.; White, Allan H.; MacFarlane, Douglas R.","The effect of alkyl chain length in a series of novel N-alkyl-3-benzylimidazolium iodide salts","CrystEngComm","2009","11","11","2456","","10.1039/b906142h","","","0.71073","MoKα","","0.0285","0.0192","","","0.0474","0.0489","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201203","9.4229","0.0001","11.8744","0.0001","13.8521","0.0001","90","","90","","90","","1549.93","0.02","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 I N2 -","- C15 H21 I N2 -","- C60 H84 I4 N8 -","4","1","","Dean, Pamela M.; Golding, Jacob J.; Pringle, Jennifer M.; Forsyth, Maria; Skelton, Brian W.; White, Allan H.; MacFarlane, Douglas R.","The effect of alkyl chain length in a series of novel N-alkyl-3-benzylimidazolium iodide salts","CrystEngComm","2009","11","11","2456","","10.1039/b906142h","","","0.71073","MoKα","","0.0327","0.0233","","","0.0417","0.0435","","","","","","0.952","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201204","20.7565","0.0003","14.049","0.0002","23.2945","0.0004","90","","90","","90","","6792.86","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H23 I N2 -","- C16 H23 I N2 -","- C256 H368 I16 N32 -","16","2","","Dean, Pamela M.; Golding, Jacob J.; Pringle, Jennifer M.; Forsyth, Maria; Skelton, Brian W.; White, Allan H.; MacFarlane, Douglas R.","The effect of alkyl chain length in a series of novel N-alkyl-3-benzylimidazolium iodide salts","CrystEngComm","2009","11","11","2456","","10.1039/b906142h","","","0.71073","MoKα","","0.1011","0.0572","","","0.1349","0.1501","","","","","","1.047","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7201205","12.2127","0.0002","11.3954","0.0002","11.6217","0.0002","90","","106.097","0.002","90","","1553.96","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 I N2 -","- C15 H21 I N2 -","- C60 H84 I4 N8 -","4","1","","Dean, Pamela M.; Golding, Jacob J.; Pringle, Jennifer M.; Forsyth, Maria; Skelton, Brian W.; White, Allan H.; MacFarlane, Douglas R.","The effect of alkyl chain length in a series of novel N-alkyl-3-benzylimidazolium iodide salts","CrystEngComm","2009","11","11","2456","","10.1039/b906142h","","","0.71073","MoKα","","0.0317","0.021","","","0.0477","0.0501","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201206","14.4409","0.0015","18.0725","0.0019","23.928","0.002","90","","99.705","0.002","90","","6155.4","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H64 Cu2 Dy2 N14 O32 -","- C46 H64 Cu2 Dy2 N14 O32 -","- C184 H256 Cu8 Dy8 N56 O128 -","4","0.5","","Kajiwara, Takashi; Takahashi, Kohei; Hiraizumi, Tomonari; Takaishi, Shinya; Yamashita, Masahiro","Structural correlations between the crystal field and magnetic anisotropy of Ln‒Cu single-molecule magnets","CrystEngComm","2009","11","10","2110","","10.1039/b906182g","","","0.71073","MoKα","","0.0341","0.0263","","","0.0577","0.0592","","","","","","0.945","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201207","14.4662","0.0014","18.0741","0.0018","23.962","0.002","90","","99.811","0.002","90","","6173.6","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H64 Cu2 Gd2 N14 O32 -","- C46 H64 Cu2 Gd2 N14 O32 -","- C184 H256 Cu8 Gd8 N56 O128 -","4","0.5","","Kajiwara, Takashi; Takahashi, Kohei; Hiraizumi, Tomonari; Takaishi, Shinya; Yamashita, Masahiro","Structural correlations between the crystal field and magnetic anisotropy of Ln‒Cu single-molecule magnets","CrystEngComm","2009","11","10","2110","","10.1039/b906182g","","","0.71073","MoKα","","0.0295","0.026","","","0.0709","0.072","","","","","","1.046","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201208","14.459","0.003","18.079","0.004","23.943","0.005","90","","99.718","0.004","90","","6169","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H64 Cu2 N14 O32 Tb2 -","- C46 H64 Cu2 N14 O32 Tb2 -","- C184 H256 Cu8 N56 O128 Tb8 -","4","0.5","","Kajiwara, Takashi; Takahashi, Kohei; Hiraizumi, Tomonari; Takaishi, Shinya; Yamashita, Masahiro","Structural correlations between the crystal field and magnetic anisotropy of Ln‒Cu single-molecule magnets","CrystEngComm","2009","11","10","2110","","10.1039/b906182g","","","0.71073","MoKα","","0.0555","0.0366","","","0.0692","0.0724","","","","","","0.831","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201209","17.749","0.0019","13.8366","0.0015","25.634","0.003","90","","106.396","0.005","90","","6039.3","1.2","190","2","190","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33.5 H29.69 N1.5 O10.1 -","- C33.5 H28.5 N1.5 O10.095 -","- C268 H228 N12 O80.76 -","8","1","","Pigge, F. Christopher; Dighe, Mayuri K.; Swenson, Dale C.","A 1D crystalline organic polyrotaxane formed via hydrogen bond-mediated self-assembly of a conformationally flexible tri-carboxylic acid","CrystEngComm","2009","11","7","1227","","10.1039/b906196g","","","0.71073","MoKα","","0.1702","0.0756","","","0.1652","0.2067","","","","","","1.03","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7201210","7.4264","0.0008","11.362","0.0012","15.2805","0.0016","103.301","0.005","94.507","0.005","108.265","0.005","1175.6","0.2","190","2","190","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H18 O9 -","- C30 H18 O9 -","- C60 H36 O18 -","2","1","","Pigge, F. Christopher; Dighe, Mayuri K.; Swenson, Dale C.","A 1D crystalline organic polyrotaxane formed via hydrogen bond-mediated self-assembly of a conformationally flexible tri-carboxylic acid","CrystEngComm","2009","11","7","1227","","10.1039/b906196g","","","0.71073","MoKα","","0.0672","0.0464","","","0.1182","0.1331","","","","","","1.066","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201211","15.9893","0.0004","32.8544","0.0005","5.6968","0.0001","90","","90","","90","","2992.64","0.1","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4-phenyl-1,2,3,5-dithiadiazolyl","","","- C7 H5 N2 S2 -","- C7 H5 N2 S2 -","- C112 H80 N32 S32 -","16","4","","Allen, Charlotte; Haynes, Delia A.; Pask, Christopher M.; Rawson, Jeremy M.","Co-crystallisation of thiazyl radicals: preparation and crystal structure of [PhCNSSN][C6F5CNSSN]","CrystEngComm","2009","11","10","2048","","10.1039/b906225d","","","0.71069","MoKα","","0.0671","0.049","","","0.0929","0.0993","","","","","","1.024","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201212","18.0888","0.0002","10.6435","0.0002","10.853","0.0001","90","","123.133","0.001","90","","1749.76","0.05","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-perfluorophenyl-1,2,3,5-dithiadiazolyl","","","- C7 F5 N2 S2 -","- C7 F5 N2 S2 -","- C56 F40 N16 S16 -","8","1","","Allen, Charlotte; Haynes, Delia A.; Pask, Christopher M.; Rawson, Jeremy M.","Co-crystallisation of thiazyl radicals: preparation and crystal structure of [PhCNSSN][C6F5CNSSN]","CrystEngComm","2009","11","10","2048","","10.1039/b906225d","","","0.7107","MoKα","","0.0364","0.031","","","0.0787","0.0819","","","","","","1.105","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201213","11.3529","0.0002","11.7748","0.0002","12.2261","0.0002","90","","95.028","0.001","90","","1628.07","0.05","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(4-phenyl-1,2,3,5-dithiadiazolyl) (4-perfluorophenyl-1,2,3,5-dithiadiazolyl) co-crystal","","","- C14 H5 F5 N4 S4 -","- C14 H5 F5 N4 S4 -","- C56 H20 F20 N16 S16 -","4","1","","Allen, Charlotte; Haynes, Delia A.; Pask, Christopher M.; Rawson, Jeremy M.","Co-crystallisation of thiazyl radicals: preparation and crystal structure of [PhCNSSN][C6F5CNSSN]","CrystEngComm","2009","11","10","2048","","10.1039/b906225d","","","0.7107","MoKα","","0.0663","0.0384","","","0.0874","0.1002","","","","","","1.031","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201229","9.008","0.004","10.139","0.005","16.671","0.008","92.822","0.015","104.167","0.015","109.238","0.014","1379.8","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H52 Cu I4 N10 O4 S2 -","- C50 H52 Cu I4 N10 O4 S2 -","- C50 H52 Cu I4 N10 O4 S2 -","1","0.5","","Rajput, Lalit; Biradha, Kumar","Robust hydrogen bonding synthon in one-dimensional and two-dimensional coordination polymers of pyridine-appended reverse amides and amides","CrystEngComm","2009","11","7","1220","","10.1039/b906285h","","","0.71073","MoKα","","0.0999","0.0531","","","0.1245","0.1402","","","","","","1.035","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201230","9.1064","0.0012","10.0279","0.0012","16.012","0.002","94.197","0.004","102.983","0.004","108.093","0.004","1338.1","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H52 Br4 Cu N10 O4 S2 -","- C50 H52 Br4 Cu N10 O4 S2 -","- C50 H52 Br4 Cu N10 O4 S2 -","1","0.5","","Rajput, Lalit; Biradha, Kumar","Robust hydrogen bonding synthon in one-dimensional and two-dimensional coordination polymers of pyridine-appended reverse amides and amides","CrystEngComm","2009","11","7","1220","","10.1039/b906285h","","","0.71073","MoKα","","0.1991","0.0654","","","0.1358","0.1607","","","","","","0.874","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201231","10.1435","0.0004","14.9724","0.0007","20.3506","0.0009","90","","101.111","0.001","90","","3032.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H64 Cu N10 O4 S2 -","- C70 H64 Cu N10 O4 S2 -","- C140 H128 Cu2 N20 O8 S4 -","2","0.5","","Rajput, Lalit; Biradha, Kumar","Robust hydrogen bonding synthon in one-dimensional and two-dimensional coordination polymers of pyridine-appended reverse amides and amides","CrystEngComm","2009","11","7","1220","","10.1039/b906285h","","","0.71073","MoKα","","0.068","0.0448","","","0.1338","0.1536","","","","","","1.044","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201232","9.9865","0.0014","14.84","0.002","20.416","0.003","90","","100.363","0.004","90","","2976.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H64 Cu N10 O4 S2 -","- C66 H63.992 Cu N10 O4 S2 -","- C132 H127.984 Cu2 N20 O8 S4 -","2","0.5","","Rajput, Lalit; Biradha, Kumar","Robust hydrogen bonding synthon in one-dimensional and two-dimensional coordination polymers of pyridine-appended reverse amides and amides","CrystEngComm","2009","11","7","1220","","10.1039/b906285h","","","0.71073","MoKα","","0.0622","0.0427","","","0.1215","0.1342","","","","","","0.812","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201233","9.21","0.006","10.155","0.007","15.921","0.011","93.77","0.02","104.08","0.02","109.2","0.02","1346.6","1.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H52 Br4 Cu N10 O4 S2 -","- C50 H52 Br4 Cu N10 O4 S2 -","- C50 H52 Br4 Cu N10 O4 S2 -","1","0.5","","Rajput, Lalit; Biradha, Kumar","Robust hydrogen bonding synthon in one-dimensional and two-dimensional coordination polymers of pyridine-appended reverse amides and amides","CrystEngComm","2009","11","7","1220","","10.1039/b906285h","","","0.71073","MoKα","","0.1148","0.0515","","","0.1333","0.1566","","","","","","0.878","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201234","10.1605","0.001","15.0606","0.0015","20.01","0.002","90","","100.338","0.003","90","","3012.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H60 Cu N10 O4 S2 -","- C66 H60 Cu N10 O4 S2 -","- C132 H120 Cu2 N20 O8 S4 -","2","0.5","","Rajput, Lalit; Biradha, Kumar","Robust hydrogen bonding synthon in one-dimensional and two-dimensional coordination polymers of pyridine-appended reverse amides and amides","CrystEngComm","2009","11","7","1220","","10.1039/b906285h","","","0.71073","MoKα","","0.1498","0.0618","","","0.1507","0.173","","","","","","0.965","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201235","8.1942","0.0007","10.001","0.0009","14.822","0.0013","75.664","0.003","85.553","0.003","85.294","0.003","1170.81","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H38 Cu N12 O4 S2 -","- C52 H38 Cu N12 O4 S2 -","- C52 H38 Cu N12 O4 S2 -","1","0.5","","Rajput, Lalit; Biradha, Kumar","Robust hydrogen bonding synthon in one-dimensional and two-dimensional coordination polymers of pyridine-appended reverse amides and amides","CrystEngComm","2009","11","7","1220","","10.1039/b906285h","","","0.71073","MoKα","","0.0833","0.0441","","","0.1016","0.1127","","","","","","0.991","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201240","7.3084","0.0015","10.576","0.002","8.5363","0.0017","90","","102.7","0.03","90","","643.7","0.2","150","0.2","150","0.2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","N/A","","","- C11 H17 Cl2 N Ti -","- C11 H18 Cl2 N Ti -","- C22 H36 Cl4 N2 Ti2 -","2","0.5","","Fletcher, Andrew E.D.; Hyatt, Jonathan D.; Ok, Kang Min; O'Hare, Dermot","Catalytic dechlorination of polychlorinated biphenyls (PCBs) using amine functionalised titanocenes","Green Chemistry","2009","11","9","1343","","10.1039/b906311k","","","0.71073","MoKα","","0.0477","0.0393","","","0.0975","0.1042","","","","","","1.074","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201241","12.6363","0.0007","13.801","0.0007","15.691","0.0008","70.683","0.003","82.958","0.003","89.263","0.003","2561.8","0.2","123","2","123","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C66 H122 Cl6 N24 Ni6 O40 -","- C66 H122 Cl6 N24 Ni6 O40 -","- C66 H122 Cl6 N24 Ni6 O40 -","1","0.5","","Colacio, Enrique; Aouryaghal, Hakima; Mota, Antonio J.; Cano, Joan; Sillanpää, Reijo; Rodríguez-Diéguez, A.","Anion encapsulation promoted by anion⋯π interactions in rationally designed hexanuclear antiferromagnetic wheels: synthesis, structure and magnetic properties","CrystEngComm","2009","11","10","2054","","10.1039/b906382j","","x-ray","0.71073","MoKα","","0.1131","0.0665","","","0.1553","0.1766","","","","","","1.055","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201242","23.206","0.005","20.746","0.005","16.193","0.005","90","0.005","130.773","0.005","90","0.005","5904","3","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C66 H114 B F6 N24 Ni6 O12 -","- C66 H114 B F6 N24 Ni6 O12 -","- C132 H228 B2 F12 N48 Ni12 O24 -","2","0.25","","Colacio, Enrique; Aouryaghal, Hakima; Mota, Antonio J.; Cano, Joan; Sillanpää, Reijo; Rodríguez-Diéguez, A.","Anion encapsulation promoted by anion⋯π interactions in rationally designed hexanuclear antiferromagnetic wheels: synthesis, structure and magnetic properties","CrystEngComm","2009","11","10","2054","","10.1039/b906382j","","","0.71069","MoKα","","0.0893","0.0609","","","0.1664","0.181","","","","","","1.048","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7201243","43.2705","0.0009","7.9511","0.0001","20.8778","0.0004","90","","114.64","0.001","90","","6528.9","0.2","173","2","173","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H84 Cl5 Cu4 N14 O27.5 -","- C39 H73 Cl5 Cu4 N14 O27.5 -","- C156 H292 Cl20 Cu16 N56 O110 -","4","0.5","","Colacio, Enrique; Aouryaghal, Hakima; Mota, Antonio J.; Cano, Joan; Sillanpää, Reijo; Rodríguez-Diéguez, A.","Anion encapsulation promoted by anion⋯π interactions in rationally designed hexanuclear antiferromagnetic wheels: synthesis, structure and magnetic properties","CrystEngComm","2009","11","10","2054","","10.1039/b906382j","","x-ray","0.71073","MoKα","","0.0639","0.047","","","0.1133","0.1218","","","","","","1.042","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7201244","18.109","0.005","27.02","0.005","22.118","0.005","90","0.005","99.74","0.005","90","0.005","10666","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H114 Cl Co6 N24 O18 -","- C66 H114 Cl Co6 N24 O18 -","- C264 H456 Cl4 Co24 N96 O72 -","4","0.5","","Colacio, Enrique; Aouryaghal, Hakima; Mota, Antonio J.; Cano, Joan; Sillanpää, Reijo; Rodríguez-Diéguez, A.","Anion encapsulation promoted by anion⋯π interactions in rationally designed hexanuclear antiferromagnetic wheels: synthesis, structure and magnetic properties","CrystEngComm","2009","11","10","2054","","10.1039/b906382j","","","0.71069","MoKα","","0.0817","0.0672","","","0.1753","0.1846","","","","","","0.963","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201245","12.66206","0.000032","12.66206","0.000032","12.66206","0.000032","90","","90","","90","","2030.08","0.009","","","298","","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C18 Co N6 O24 Ru6 -","- C18 Co N6 O24 Ru6 -","- C36 Co2 N12 O48 Ru12 -","2","0.0208333","","Kennon, Bretni S.; Stone, Kevin H.; Stephens, Peter W.; Miller, Joel S.","Interpenetrating diruthenium tetraformate monocation, [RuII/III2(O2CH)4]+, based 3-D molecule-based magnets","CrystEngComm","2009","11","10","2185","","10.1039/b906437k","powder diffraction","","0.697396","synchrotron","","","","","","","","","","2.491","","","","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7201246","12.70707","0.00075","12.70707","0.00075","12.70707","0.00075","90","","90","","90","","2051.8","0.2","","","298","","","","","","","","","5","I m -3 m","-I 4 2 3","229","","","","- C18 Fe N6 O24 Ru6 -","- C18 Fe N6 O24 Ru6 -","- C36 Fe2 N12 O48 Ru12 -","2","0.0208333","","Kennon, Bretni S.; Stone, Kevin H.; Stephens, Peter W.; Miller, Joel S.","Interpenetrating diruthenium tetraformate monocation, [RuII/III2(O2CH)4]+, based 3-D molecule-based magnets","CrystEngComm","2009","11","10","2185","","10.1039/b906437k","powder diffraction","","0.69864","synchrotron","","","","","","","","","","2.215","","","","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7201247","10.9508","0.0002","12.2489","0.0003","12.6508","0.0003","78.2287","0.001","88.3215","0.0013","86.2671","0.0013","1657.48","0.06","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C74 H48 Cl8 N8 O8 -","- C74 H48 Cl8 N8 O8 -","- C74 H48 Cl8 N8 O8 -","1","0.5","","Koner, Rajesh; Goldberg, Israel","Crystal engineering of molecular networks. Hydrogen bonding driven two-dimensional assemblies of tetrapyridylporphyrin with benzene tri- and tetra-carboxylic acids","CrystEngComm","2009","11","7","1217","","10.1039/b906538p","","","0.71073","MoKα","","0.0927","0.0673","","","0.1792","0.1926","","","","","","1.055","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201248","18.496","0.0002","20.2741","0.0004","18.6398","0.0003","90","","114.095","0.001","90","","6380.71","0.18","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C70 H48 Cl6 N8 O9 Zn -","- C64 H44 Cl4 N8 O9 Zn -","- C256 H176 Cl16 N32 O36 Zn4 -","4","1","","Koner, Rajesh; Goldberg, Israel","Crystal engineering of molecular networks. Hydrogen bonding driven two-dimensional assemblies of tetrapyridylporphyrin with benzene tri- and tetra-carboxylic acids","CrystEngComm","2009","11","7","1217","","10.1039/b906538p","","","0.71073","MoKα","","0.1014","0.0654","","","0.1648","0.1797","","","","","","1.046","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201249","10.3866","0.0003","13.9603","0.0006","14.2042","0.0006","78.039","0.002","73.847","0.002","68.884","0.002","1832.25","0.13","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C68 H60 Cl12 N8 O16 -","- C68 H60 Cl12 N8 O16 -","- C68 H60 Cl12 N8 O16 -","1","0.5","","Koner, Rajesh; Goldberg, Israel","Crystal engineering of molecular networks. Hydrogen bonding driven two-dimensional assemblies of tetrapyridylporphyrin with benzene tri- and tetra-carboxylic acids","CrystEngComm","2009","11","7","1217","","10.1039/b906538p","","","0.71073","MoKα","","0.0966","0.068","","","0.183","0.2019","","","","","","1.038","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201250","18.2699","0.0004","26.9303","0.0008","18.3479","0.0005","90","","90.658","0.002","90","","9026.8","0.4","180","","180","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H100 N20 Ni2 O34 Tb2 W2 -","- C58 H48 N20 Ni2 O34 Tb2 W2 -","- C232 H192 N80 Ni8 O136 Tb8 W8 -","4","1","","Dhers, Sébastien; Sahoo, Shaon; Costes, Jean-Pierre; Duhayon, Carine; Ramasesha, S.; Sutter, Jean-Pascal","1-D hydrogen-bonded organization of hexanuclear {3d-4f-5d} complexes: evidence for slow relaxation of the magnetization for [{LMe2Ni(H2O)Ln(H2O)4.5}2{W(CN)8}2] with Ln = Tb and Dy","CrystEngComm","2009","11","10","2078","","10.1039/b906539c","","","0.71073","MoKα","","0.0903","0.0319","","0.0675","0.037","0.037","","","","","","1.1194","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201251","12.762","0.003","13.148","0.003","13.825","0.002","107.952","0.008","92.416","0.008","109.564","0.008","2051.9","0.8","294","2","294","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H27 Cl2 Fe N5 Ni O2 S6 -","- C42 H27 Cl2 Fe N5 Ni O2 S6 -","- C84 H54 Cl4 Fe2 N10 Ni2 O4 S12 -","2","1","","Neves, Ana I. S.; Dias, João C.; Vieira, Bruno J. C.; Santos, Isabel C.; Castelo Branco, Moritz B.; Pereira, Laura C. J.; Waerenborgh, João C.; Almeida, Manuel; Belo, Dulce; da Gama, Vasco","A new hybrid material exhibiting room temperature spin-crossover and ferromagnetic cluster-glass behavior","CrystEngComm","2009","11","10","2160","","10.1039/b906620a","","","0.71073","MoKα","","0.1338","0.0662","","","0.1362","0.1577","","","","","","0.909","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201252","12.7394","0.0013","13.1194","0.001","13.7931","0.0014","108.043","0.003","92.324","0.003","109.564","0.003","2038.4","0.3","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H27 Cl2 Fe N5 Ni O2 S6 -","- C42 H27 Cl2 Fe N5 Ni O2 S6 -","- C84 H54 Cl4 Fe2 N10 Ni2 O4 S12 -","2","1","","Neves, Ana I. S.; Dias, João C.; Vieira, Bruno J. C.; Santos, Isabel C.; Castelo Branco, Moritz B.; Pereira, Laura C. J.; Waerenborgh, João C.; Almeida, Manuel; Belo, Dulce; da Gama, Vasco","A new hybrid material exhibiting room temperature spin-crossover and ferromagnetic cluster-glass behavior","CrystEngComm","2009","11","10","2160","","10.1039/b906620a","","","0.71073","MoKα","","0.114","0.0575","","","0.1214","0.1376","","","","","","0.93","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201253","11.7392","0.0006","12.7081","0.0006","9.5192","0.0005","90","","90.153","0.003","90","","1420.1","0.12","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C6 H14 Co2 N16 O -","- C6 H14 Co2 N16 O -","- C24 H56 Co8 N64 O4 -","4","0.5","","Li, Ru-Yin; Wang, Zhe-Ming; Gao, Song","M2(N3)4(hmt)(H2O) (M = Co2+ and Ni2+, hmt = hexamethylenetetramine): mixed azide-hmt bridged 3D metal frameworks with long-range magnetic ordering","CrystEngComm","2009","11","10","2096","","10.1039/b906694m","","","0.71073","MoKα","","0.047","0.029","","","0.0666","0.0704","","","","","","1.006","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201254","11.802","0.003","18.533","0.005","13.233","0.003","90","","100.485","0.004","90","","2846.1","1.2","173.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H14 Cl2 Fe N10 S4 -","- C27 H14 Cl2 Fe N10 S4 -","- C108 H56 Cl8 Fe4 N40 S16 -","4","1","","Shuku, Yoshiaki; Suizu, Rie; Awaga, Kunio; Sato, Osamu","Fe(II) spincrossover complex of [1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline","CrystEngComm","2009","11","10","2065","","10.1039/b906845g","","","0.7107","MoKα","","","0.1194","","","","0.3421","","","","","","1.103","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201255","8.7864","0.0013","35.234","0.005","8.7965","0.0011","90","","90","","90","","2723.2","0.7","400.1","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H12 Fe N10 S4 -","- C26 H12 Fe N10 S4 -","- C104 H48 Fe4 N40 S16 -","4","1","","Shuku, Yoshiaki; Suizu, Rie; Awaga, Kunio; Sato, Osamu","Fe(II) spincrossover complex of [1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline","CrystEngComm","2009","11","10","2065","","10.1039/b906845g","","","0.7107","MoKα","","","0.0717","","","","0.2059","","","","","","1.097","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201256","8.5451","0.0005","34.392","0.002","8.5882","0.0004","90","","90","","90","","2523.9","0.2","173.1","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C26 H12 Fe N10 S4 -","- C26 H12 Fe N10 S4 -","- C104 H48 Fe4 N40 S16 -","4","1","","Shuku, Yoshiaki; Suizu, Rie; Awaga, Kunio; Sato, Osamu","Fe(II) spincrossover complex of [1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline","CrystEngComm","2009","11","10","2065","","10.1039/b906845g","","","0.7107","MoKα","","","0.0471","","","","0.1216","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201257","12.174","0.002","12.264","0.002","12.35","0.002","73.543","0.004","88.616","0.007","83.507","0.006","1756.9","0.5","173.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C38 H18 Fe N14 S5 -","- C38 H18 Fe N14 S5 -","- C76 H36 Fe2 N28 S10 -","2","1","","Shuku, Yoshiaki; Suizu, Rie; Awaga, Kunio; Sato, Osamu","Fe(II) spincrossover complex of [1,2,5]thiadiazolo[3,4-f][1,10]phenanthroline","CrystEngComm","2009","11","10","2065","","10.1039/b906845g","","","0.7107","MoKα","","","0.0559","","","","0.1415","","","","","","1.074","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201258","13.3852","0.0008","13.3852","0.0008","9.9922","0.0012","90","","90","","90","","1790.2","0.3","291","2","291","2","","","","","","","","6","I -4","I -4","82","","","","- C25 H26 Cu4 I4 N4 O5 -","- C25 H26 Cu4 I4 N4 O5 -","- C50 H52 Cu8 I8 N8 O10 -","2","0.25","","Ren, Shi-Bin; Zhou, Le; Zhang, Jun; Li, Yi-Zhi; Du, Hong-Bin; You, Xiao-Zeng","A photoluminescent interpenetrating diamondoid metal‒organic framework based on Cu4I4 clusters with high thermal stability","CrystEngComm","2009","11","9","1834","","10.1039/b906905d","","","0.71073","MoKα","","0.0491","0.0448","","","0.1016","0.1027","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201261","4.535","0.003","10.913","0.007","17.142","0.01","90","","90","","90","","848.4","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H4 Cu2 N6 -","- C7 H4 Cu2 N6 -","- C28 H16 Cu8 N24 -","4","1","","Wang, Fei; Zhang, Jian; Chen, Shu-Mei; Xie, Yi-Ming; Wu, Xiao-Yuan; Chen, Shan-Ci; Yu, Rong-Min; Lu, Can-Zhong","New (3,4)-connected intrinsically chiral topology observed in a homochiral coordination polymer from achiral precursors","CrystEngComm","2009","11","8","1526","","10.1039/b907092n","","","0.71073","MoKα","","0.0547","0.0498","","","0.1528","0.1594","","","","","","0.998","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201262","9.987","0.003","13.172","0.004","14.29","0.004","90","","90","","90","","1879.8","1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H15 N4 O9 Tb -","- C18 H15 N4 O9 Tb -","- C72 H60 N16 O36 Tb4 -","4","1","","Yin, Pei-Xiu; Li, Zhao-Ji; Zhang, Jian; Zhang, Lei; Lin, Qi-Pu; Qin, Ye-Yan; Yao, Yuan-Gen","Protonated 3-amino-1,2,4-triazole templated luminescent lanthanide isophthalates with a rare (3,6)-connected topology","CrystEngComm","2009","11","12","2734","","10.1039/b907107e","","","0.71073","MoKα","","0.0483","0.0361","","","0.0879","0.097","","","","","","1.059","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201263","10.158","0.003","13.269","0.004","14.47","0.004","90","","90","","90","","1950.4","1","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H15 La N4 O9 -","- C18 H15 La N4 O9 -","- C72 H60 La4 N16 O36 -","4","1","","Yin, Pei-Xiu; Li, Zhao-Ji; Zhang, Jian; Zhang, Lei; Lin, Qi-Pu; Qin, Ye-Yan; Yao, Yuan-Gen","Protonated 3-amino-1,2,4-triazole templated luminescent lanthanide isophthalates with a rare (3,6)-connected topology","CrystEngComm","2009","11","12","2734","","10.1039/b907107e","","","0.71073","MoKα","","0.0408","0.0315","","","0.0618","0.0671","","","","","","1.027","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201264","9.9814","0.0003","11.9312","0.0003","16.8666","0.0006","107.263","0.003","95.397","0.003","99.704","0.002","1868.44","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C77 H61 N9 O20 Zn4 -","- C77 H61 N9 O20 Zn4 -","- C77 H61 N9 O20 Zn4 -","1","0.5","","Zhou, Dong-Sheng; Wang, Fang-Kuo; Yang, Shi-Yao; Xie, Zhao-Xiong; Huang, Rong-Bin","Substituent effect on the assembly of coordination polymers containing isophthalic acid and its derivatives","CrystEngComm","2009","11","11","2548","","10.1039/b907142c","","","0.71073","MoKα","","0.0439","0.0274","","","0.0636","0.0668","","","","","","0.952","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201265","18.1879","0.0006","10.6838","0.0003","31.74","0.0001","90","","102.899","0.004","90","","6011.9","0.3","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H48 N6 O17 Zn4 -","- C62 H48 N6 O17 Zn4 -","- C248 H192 N24 O68 Zn16 -","4","0.5","","Zhou, Dong-Sheng; Wang, Fang-Kuo; Yang, Shi-Yao; Xie, Zhao-Xiong; Huang, Rong-Bin","Substituent effect on the assembly of coordination polymers containing isophthalic acid and its derivatives","CrystEngComm","2009","11","11","2548","","10.1039/b907142c","","","0.71073","MoKα","","0.1176","0.0445","","","0.1011","0.1471","","","","","","0.997","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201266","7.4965","0.0002","15.5495","0.0004","18.1063","0.0004","90","","98.516","0.002","90","","2087.32","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O4 Zn -","- C22 H22 N2 O4 Zn -","- C88 H88 N8 O16 Zn4 -","4","1","","Zhou, Dong-Sheng; Wang, Fang-Kuo; Yang, Shi-Yao; Xie, Zhao-Xiong; Huang, Rong-Bin","Substituent effect on the assembly of coordination polymers containing isophthalic acid and its derivatives","CrystEngComm","2009","11","11","2548","","10.1039/b907142c","","","0.71073","MoKα","","0.0563","0.0303","","","0.0676","0.0726","","","","","","0.926","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201267","9.8673","0.0003","15.6848","0.0004","13.2389","0.0003","90","","95.342","0.002","90","","2040.04","0.09","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Mn N2 O4 -","- C22 H22 Mn N2 O4 -","- C88 H88 Mn4 N8 O16 -","4","1","","Zhou, Dong-Sheng; Wang, Fang-Kuo; Yang, Shi-Yao; Xie, Zhao-Xiong; Huang, Rong-Bin","Substituent effect on the assembly of coordination polymers containing isophthalic acid and its derivatives","CrystEngComm","2009","11","11","2548","","10.1039/b907142c","","","0.71073","MoKα","","0.06","0.0395","","","0.1051","0.1125","","","","","","1.073","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201268","6.774","0.003","8.264","0.003","12.751","0.005","103.055","0.009","91.66","0.009","90.889","0.01","694.9","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H34 N2 Na2 O8 S4 -","- C18 H34 N2 Na2 O8 S4 -","- C18 H34 N2 Na2 O8 S4 -","1","0.5","","Reyes-Martínez, Reyna; Höpfl, Herbert; Godoy-Alcántar, Carolina; Medrano, Felipe; Tlahuext, Hugo","Comparative analysis of M‒O, M‒S and cation‒π(arene) interactions in the alkali metal (Na+, K+, Rb+, Cs+) bis-dithiocarbamate salts of N,N′-dibenzyl-1,2-ethylenediamine","CrystEngComm","2009","11","11","2417","","10.1039/b907160a","","","0.71073","MoKα","","0.1368","0.0894","","","0.1601","0.1823","","","","","","1.116","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201269","6.4276","0.001","8.0682","0.0012","12.1202","0.0019","101.826","0.002","104.093","0.003","92.107","0.003","594.19","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H26 K2 N2 O4 S4 -","- C18 H26 K2 N2 O4 S4 -","- C18 H26 K2 N2 O4 S4 -","1","0.5","","Reyes-Martínez, Reyna; Höpfl, Herbert; Godoy-Alcántar, Carolina; Medrano, Felipe; Tlahuext, Hugo","Comparative analysis of M‒O, M‒S and cation‒π(arene) interactions in the alkali metal (Na+, K+, Rb+, Cs+) bis-dithiocarbamate salts of N,N′-dibenzyl-1,2-ethylenediamine","CrystEngComm","2009","11","11","2417","","10.1039/b907160a","","","0.71073","MoKα","","0.0419","0.0391","","","0.0937","0.0955","","","","","","1.12","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201270","21.895","0.002","6.4024","0.0007","17.464","0.0019","90","","108.53","0.002","90","","2321.2","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 N2 O Rb2 S4 -","- C18 H20 N2 O Rb2 S4 -","- C72 H80 N8 O4 Rb8 S16 -","4","0.5","","Reyes-Martínez, Reyna; Höpfl, Herbert; Godoy-Alcántar, Carolina; Medrano, Felipe; Tlahuext, Hugo","Comparative analysis of M‒O, M‒S and cation‒π(arene) interactions in the alkali metal (Na+, K+, Rb+, Cs+) bis-dithiocarbamate salts of N,N′-dibenzyl-1,2-ethylenediamine","CrystEngComm","2009","11","11","2417","","10.1039/b907160a","","","0.71073","MoKα","","0.0769","0.0652","","","0.1216","0.1263","","","","","","1.237","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201271","22.422","0.0019","6.5428","0.0006","17.401","0.0015","90","","110.711","0.001","90","","2387.8","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 Cs2 N2 O S4 -","- C18 H20 Cs2 N2 O S4 -","- C72 H80 Cs8 N8 O4 S16 -","4","0.5","","Reyes-Martínez, Reyna; Höpfl, Herbert; Godoy-Alcántar, Carolina; Medrano, Felipe; Tlahuext, Hugo","Comparative analysis of M‒O, M‒S and cation‒π(arene) interactions in the alkali metal (Na+, K+, Rb+, Cs+) bis-dithiocarbamate salts of N,N′-dibenzyl-1,2-ethylenediamine","CrystEngComm","2009","11","11","2417","","10.1039/b907160a","","","0.71073","MoKα","","0.0304","0.0291","","","0.071","0.0718","","","","","","1.174","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201272","15.677","0.003","10.452","0.002","20.855","0.004","90","","103.12","0.03","90","","3328","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H50 N4 S4 -","- C30 H50 N4 S4 -","- C120 H200 N16 S16 -","4","0.5","","Reyes-Martínez, Reyna; Höpfl, Herbert; Godoy-Alcántar, Carolina; Medrano, Felipe; Tlahuext, Hugo","Comparative analysis of M‒O, M‒S and cation‒π(arene) interactions in the alkali metal (Na+, K+, Rb+, Cs+) bis-dithiocarbamate salts of N,N′-dibenzyl-1,2-ethylenediamine","CrystEngComm","2009","11","11","2417","","10.1039/b907160a","","","0.71073","MoKα","","0.1304","0.1008","","","0.241","0.2585","","","","","","1.183","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201273","8.3466","0.0002","15.8125","0.0003","18.7686","0.0004","90","","90","","90","","2477.09","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H29 Cs O12 -","- C21 H29 Cs O12 -","- C84 H116 Cs4 O48 -","4","1","","Braga, Dario; d'Agostino, Simone; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia","Caesium 18-crown[6] complexes with aromatic polycarboxylate anions: preparation, solid-state characterization and thermal behaviour","CrystEngComm","2009","11","9","1994","","10.1039/b907224a","","","0.71073","MoKα","","0.0496","0.0344","","","0.0556","0.0583","","","","","","0.842","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201274","8.2125","0.0003","15.2641","0.0004","18.9603","0.0006","90","","90","","90","","2376.8","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H29 Cs O10 -","- C20 H29 Cs O10 -","- C80 H116 Cs4 O40 -","4","1","","Braga, Dario; d'Agostino, Simone; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia","Caesium 18-crown[6] complexes with aromatic polycarboxylate anions: preparation, solid-state characterization and thermal behaviour","CrystEngComm","2009","11","9","1994","","10.1039/b907224a","","","0.71073","MoKα","","0.0338","0.026","","","0.04","0.0412","","","","","","0.892","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201275","14.8028","0.0004","12.4245","0.0004","18.3359","0.0005","90","","90","","90","","3372.29","0.17","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H38 Cs2 O16 -","- C28 H32 Cs2 O16 -","- C112 H128 Cs8 O64 -","4","0.5","","Braga, Dario; d'Agostino, Simone; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia","Caesium 18-crown[6] complexes with aromatic polycarboxylate anions: preparation, solid-state characterization and thermal behaviour","CrystEngComm","2009","11","9","1994","","10.1039/b907224a","","","0.71073","MoKα","","0.0879","0.045","","","0.0727","0.0805","","","","","","1.04","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201276","14.669","0.0005","27.0044","0.0009","17.2458","0.0004","90","","103.86","0.003","90","","6632.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H93 Cs3 O33 -","- C45 H75 Cs3 O33 -","- C180 H300 Cs12 O132 -","4","1","","Braga, Dario; d'Agostino, Simone; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia","Caesium 18-crown[6] complexes with aromatic polycarboxylate anions: preparation, solid-state characterization and thermal behaviour","CrystEngComm","2009","11","9","1994","","10.1039/b907224a","","","0.71073","MoKα","","0.1044","0.0526","","","0.1224","0.1364","","","","","","0.942","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201277","11.0263","0.0003","21.5415","0.0005","10.2369","0.0003","90","","97.333","0.002","90","","2411.61","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H62 Cs2 O18 -","- C38 H62 Cs2 O18 -","- C76 H124 Cs4 O36 -","2","0.5","","Braga, Dario; d'Agostino, Simone; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia","Caesium 18-crown[6] complexes with aromatic polycarboxylate anions: preparation, solid-state characterization and thermal behaviour","CrystEngComm","2009","11","9","1994","","10.1039/b907224a","","","0.71073","MoKα","","0.0845","0.0323","","","0.0366","0.0413","","","","","","0.825","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201278","27.2991","0.0004","10.4306","0.0002","22.0035","0.0004","90","","101.003","0.002","90","","6150.23","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C96 H168 Cs4 O53 -","- C96 H156 Cs4 O53 -","- C192 H312 Cs8 O106 -","2","0.5","","Braga, Dario; d'Agostino, Simone; Polito, Marco; Rubini, Katia; Grepioni, Fabrizia","Caesium 18-crown[6] complexes with aromatic polycarboxylate anions: preparation, solid-state characterization and thermal behaviour","CrystEngComm","2009","11","9","1994","","10.1039/b907224a","","","0.71073","MoKα","","0.1332","0.0637","","","0.1546","0.1817","","","","","","0.95","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201279","13.1889","0.0006","8.607","0.0004","20.4006","0.0005","90","","93.461","0.003","90","","2311.59","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 N8 O24 Sm2 U2 -","- C34 H48 N8 O24 Sm2 U2 -","- C68 H96 N16 O48 Sm4 U4 -","2","0.5","","Thuéry, Pierre","Structural variability in uranyl‒lanthanide heterometallic complexes with DOTA and oxalato ligands","CrystEngComm","2009","11","11","2319","","10.1039/b907392b","","","0.71073","MoKα","","0.0229","0.0195","","","0.0468","0.0477","","","","","","1.054","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201280","13.1694","0.0013","8.623","0.0007","20.3522","0.0014","90","","93.309","0.006","90","","2307.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 Eu2 N8 O24 U2 -","- C34 H48 Eu2 N8 O24 U2 -","- C68 H96 Eu4 N16 O48 U4 -","2","0.5","","Thuéry, Pierre","Structural variability in uranyl‒lanthanide heterometallic complexes with DOTA and oxalato ligands","CrystEngComm","2009","11","11","2319","","10.1039/b907392b","","","0.71073","MoKα","","0.0484","0.0329","","","0.0661","0.0702","","","","","","0.993","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201281","43.698","0.002","8.3956","0.0003","19.467","0.0008","90","","115.999","0.002","90","","6419.1","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H64 Gd2 N8 O44 U4 -","- C38 H54 Gd2 N8 O44 U4 -","- C152 H216 Gd8 N32 O176 U16 -","4","0.5","","Thuéry, Pierre","Structural variability in uranyl‒lanthanide heterometallic complexes with DOTA and oxalato ligands","CrystEngComm","2009","11","11","2319","","10.1039/b907392b","","","0.71073","MoKα","","0.0564","0.0452","","","0.1166","0.1222","","","","","","1.058","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201282","13.4846","0.0013","6.6387","0.0011","16.759","0.002","90","","111.391","0.008","90","","1396.9","0.3","100","2","100","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C18 H27 Gd N4 O18 U2 -","- C18 H24 Gd N4 O18 U2 -","- C36 H48 Gd2 N8 O36 U4 -","2","0.5","","Thuéry, Pierre","Structural variability in uranyl‒lanthanide heterometallic complexes with DOTA and oxalato ligands","CrystEngComm","2009","11","11","2319","","10.1039/b907392b","","","0.71073","MoKα","","0.0884","0.0802","","","0.2183","0.2252","","","","","","1.069","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201283","14.3015","0.0011","7.5361","0.0006","18.7339","0.0014","90","","107.678","0.001","90","","1923.7","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 Ni O8 S -","- C19 H16 N2 Ni O8 S -","- C76 H64 N8 Ni4 O32 S4 -","4","1","","Miao, Xiao-He; Zhu, Long-Guan","Synthesis, supramolecular structures and catalytic properties of nickel(II) 3-sulfobenzoate complexes with chelating amine ligands","CrystEngComm","2009","11","11","2500","","10.1039/b907453h","","","0.71073","MoKα","","0.0426","0.0395","","","0.1","0.1016","","","","","","1.246","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201284","8.5583","0.0007","11.69","0.0009","16.026","0.0013","69.982","0.001","78.52","0.001","78.349","0.001","1460.7","0.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H24 N4 Ni O7 S -","- C31 H24 N4 Ni O7 S -","- C62 H48 N8 Ni2 O14 S2 -","2","1","","Miao, Xiao-He; Zhu, Long-Guan","Synthesis, supramolecular structures and catalytic properties of nickel(II) 3-sulfobenzoate complexes with chelating amine ligands","CrystEngComm","2009","11","11","2500","","10.1039/b907453h","","","0.71073","MoKα","","0.0899","0.0766","","","0.1843","0.1936","","","","","","1.117","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201285","12.875","0.003","14.763","0.004","15.643","0.004","107.09","0.004","94.328","0.004","106.234","0.004","2688.2","1.2","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H54 N6 Ni O20 S2 -","- C50 H52 N6 Ni O20 S2 -","- C100 H104 N12 Ni2 O40 S4 -","2","1","","Miao, Xiao-He; Zhu, Long-Guan","Synthesis, supramolecular structures and catalytic properties of nickel(II) 3-sulfobenzoate complexes with chelating amine ligands","CrystEngComm","2009","11","11","2500","","10.1039/b907453h","","","0.71073","MoKα","","0.0771","0.0578","","","0.1321","0.143","","","","","","1.069","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201286","7.989","0.004","15.006","0.007","8.168","0.004","90","","109.145","0.008","90","","925","0.8","295","2","295","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H18 N2 Ni O8 S -","- C17 H18 N2 Ni O8 S -","- C34 H36 N4 Ni2 O16 S2 -","2","1","","Miao, Xiao-He; Zhu, Long-Guan","Synthesis, supramolecular structures and catalytic properties of nickel(II) 3-sulfobenzoate complexes with chelating amine ligands","CrystEngComm","2009","11","11","2500","","10.1039/b907453h","","","0.71073","MoKα","","0.028","0.027","","","0.0662","0.0668","","","","","","0.88","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201287","22.7084","0.0012","13.3203","0.0007","24.1383","0.0013","90","","92.821","0.001","90","","7292.6","0.7","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H71 N15 Ni2 O23 S -","- C67 H69 N15 Ni2 O23 S -","- C268 H276 N60 Ni8 O92 S4 -","4","1","","Miao, Xiao-He; Zhu, Long-Guan","Synthesis, supramolecular structures and catalytic properties of nickel(II) 3-sulfobenzoate complexes with chelating amine ligands","CrystEngComm","2009","11","11","2500","","10.1039/b907453h","","","0.71073","MoKα","","0.0698","0.0493","","","0.1246","0.1392","","","","","","0.996","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201288","13.463","0.003","14.09","0.003","21.268","0.004","90","","93.875","0.009","90","","4025.2","1.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C74 H80 Co4 N16 O26 -","- C74 H80 Co4 N16 O26 -","- C148 H160 Co8 N32 O52 -","2","0.5","","Katsenis, Athanassios D.; Inglis, Ross; Slawin, Alexandra M. Z.; Kessler, Vadim G.; Brechin, Euan K.; Papaefstathiou, Giannis S.","Transforming the cube: a tetranuclear cobalt(II) cubane cluster and its transformation to a dimer of dimers","CrystEngComm","2009","11","10","2117","","10.1039/b907546c","","","1.54178","CuKα","","0.0515","0.0459","","","0.1099","0.1145","","","","","","1.028","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201289","20.4504","0.0018","12.7826","0.0011","20.0563","0.0017","90","","105.455","0.002","90","","5053.3","0.8","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H38 Co4 N12 O21 -","- C44 H36 Co4 N12 O21 -","- C176 H144 Co16 N48 O84 -","4","1","","Katsenis, Athanassios D.; Inglis, Ross; Slawin, Alexandra M. Z.; Kessler, Vadim G.; Brechin, Euan K.; Papaefstathiou, Giannis S.","Transforming the cube: a tetranuclear cobalt(II) cubane cluster and its transformation to a dimer of dimers","CrystEngComm","2009","11","10","2117","","10.1039/b907546c","","","0.71073","MoKα","","0.0778","0.0554","","","0.1232","0.1369","","","","","","1.061","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201293","12.5784","0.0014","10.1347","0.0013","15.213","0.002","90","","97.987","0.002","90","","1920.5","0.4","298","2","298","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C36 H33 Cd2 N10 O9.5 -","- C36 H33 Cd2 N10 O9.5 -","- C72 H66 Cd4 N20 O19 -","2","0.5","","Cui, Feng-Yun; Huang, Kun-Lin; Xu, Yan-Qing; Han, Zhan-Gang; Liu, Xi; Chi, Ying-Nan; Hu, Chang-Wen","Structural variability of Cd(II) and Co(II) mixed-ligand coordination polymers: effect of ligand isomerism and metal-to-ligand ratio","CrystEngComm","2009","11","12","2757","","10.1039/b907606a","","","0.71073","MoKα","","0.073","0.0504","","","0.1297","0.1503","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201294","9.5794","0.0009","11.4726","0.001","11.6041","0.001","79.982","0.001","66.818","0.001","76.132","0.001","1133.62","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 Co N5 O6 -","- C22 H25 Co N5 O6 -","- C44 H50 Co2 N10 O12 -","2","1","","Cui, Feng-Yun; Huang, Kun-Lin; Xu, Yan-Qing; Han, Zhan-Gang; Liu, Xi; Chi, Ying-Nan; Hu, Chang-Wen","Structural variability of Cd(II) and Co(II) mixed-ligand coordination polymers: effect of ligand isomerism and metal-to-ligand ratio","CrystEngComm","2009","11","12","2757","","10.1039/b907606a","","","0.71073","MoKα","","0.0312","0.0276","","","0.0745","0.0771","","","","","","1.005","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201295","11.649","0.011","21.52","0.02","8.848","0.008","90","","109.956","0.014","90","","2085","3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Cd N5 O7 -","- C18 H21 Cd N5 O7 -","- C72 H84 Cd4 N20 O28 -","4","1","","Cui, Feng-Yun; Huang, Kun-Lin; Xu, Yan-Qing; Han, Zhan-Gang; Liu, Xi; Chi, Ying-Nan; Hu, Chang-Wen","Structural variability of Cd(II) and Co(II) mixed-ligand coordination polymers: effect of ligand isomerism and metal-to-ligand ratio","CrystEngComm","2009","11","12","2757","","10.1039/b907606a","","","0.71073","MoKα","","0.0457","0.0316","","","0.0717","0.0761","","","","","","1.001","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201296","10.073","0.003","9.332","0.003","22.377","0.007","90","","93.215","0.004","90","","2100.2","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Co N5 O5 -","- C22 H23 Co N5 O5 -","- C88 H92 Co4 N20 O20 -","4","1","","Cui, Feng-Yun; Huang, Kun-Lin; Xu, Yan-Qing; Han, Zhan-Gang; Liu, Xi; Chi, Ying-Nan; Hu, Chang-Wen","Structural variability of Cd(II) and Co(II) mixed-ligand coordination polymers: effect of ligand isomerism and metal-to-ligand ratio","CrystEngComm","2009","11","12","2757","","10.1039/b907606a","","","0.71073","MoKα","","0.0575","0.0347","","","0.0738","0.0866","","","","","","1.058","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201297","11.8776","0.001","16.398","0.002","18.445","0.002","66.556","0.001","76.34","0.002","70.059","0.002","3077.2","0.6","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H59 Cd4 N15 O21 -","- C58 H59 Cd4 N15 O21 -","- C116 H118 Cd8 N30 O42 -","2","1","","Cui, Feng-Yun; Huang, Kun-Lin; Xu, Yan-Qing; Han, Zhan-Gang; Liu, Xi; Chi, Ying-Nan; Hu, Chang-Wen","Structural variability of Cd(II) and Co(II) mixed-ligand coordination polymers: effect of ligand isomerism and metal-to-ligand ratio","CrystEngComm","2009","11","12","2757","","10.1039/b907606a","","","0.71073","MoKα","","0.0568","0.0336","","","0.0775","0.0962","","","","","","1.016","","","","has coordinates,has disorder","180343","2020-10-21","18:00:00",""
"7201298","9.588","0.001","26.647","0.003","14.405","0.002","90","","90","","90","","3680.4","0.8","298","2","298","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C16 H20 Cd N5 O6 -","- C16 H20 Cd N5 O6 -","- C128 H160 Cd8 N40 O48 -","8","0.5","","Cui, Feng-Yun; Huang, Kun-Lin; Xu, Yan-Qing; Han, Zhan-Gang; Liu, Xi; Chi, Ying-Nan; Hu, Chang-Wen","Structural variability of Cd(II) and Co(II) mixed-ligand coordination polymers: effect of ligand isomerism and metal-to-ligand ratio","CrystEngComm","2009","11","12","2757","","10.1039/b907606a","","","0.71073","MoKα","","0.0839","0.0534","","","0.1161","0.1261","","","","","","1.162","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201299","14.2332","0.0015","17.1597","0.0018","8.6468","0.001","90","","102.428","0.002","90","","2062.4","0.4","298","2","298","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H21 Cd N5 O7 -","- C18 H21 Cd N5 O7 -","- C72 H84 Cd4 N20 O28 -","4","1","","Cui, Feng-Yun; Huang, Kun-Lin; Xu, Yan-Qing; Han, Zhan-Gang; Liu, Xi; Chi, Ying-Nan; Hu, Chang-Wen","Structural variability of Cd(II) and Co(II) mixed-ligand coordination polymers: effect of ligand isomerism and metal-to-ligand ratio","CrystEngComm","2009","11","12","2757","","10.1039/b907606a","","","0.71073","MoKα","","0.0559","0.0461","","","0.118","0.1287","","","","","","1.055","","","","has coordinates","180343","2020-10-21","18:00:00",""
"7201300","10.516","0.003","13.2522","0.0019","6.4403","0.0011","90","","119.508","0.008","90","","781.1","0.3","293.15","","293.15","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C8 H16 Au2 N8 Zn -","- C8 H16 Au2 N8 Zn -","- C16 H32 Au4 N16 Zn2 -","2","0.25","","Aguiar, Pedro M.; Katz, Michael J.; Leznoff, Daniel B.; Kroeker, Scott","Natural abundance 13C and 15N solid-state NMR analysis of paramagnetic transition-metal cyanide coordination polymers","Physical Chemistry Chemical Physics","2009","11","32","6925","6934","10.1039/b907747b","","","1.5418","CuKα","","0.0501","0.0432","","0.1232","0.0652","0.0594","","","","","","1.0244","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201301","6.6807","0.0001","13.2318","0.0002","19.327","0.0003","100.308","0.001","95.579","0.001","96.954","0.001","1656.11","0.04","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H28 Cd3 Cl4 O20 P4 -","- C15 H28 Cd3 Cl4 O20 P4 -","- C30 H56 Cd6 Cl8 O40 P8 -","2","1","","Jokiniemi, Jonna; Vepsäläinen, Jouko; Nätkinniemi, Harri; Peräniemi, Sirpa; Ahlgrén, Markku","Synthesis of phenyl substituted bisphosphonates and crystal structures and characterization of Cd complexes of (dichloromethylene)bisphosphonic acid phenyl and alkyl ester derivatives","CrystEngComm","2009","11","11","2431","","10.1039/b907874f","","","0.71073","MoKα","","0.0231","0.0197","","","0.0461","0.0476","","","","","","1.005","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201302","5.8432","0.0001","9.2266","0.0002","18.6853","0.0005","90","","91.103","0.001","90","","1007.19","0.04","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H18 Cd Cl2 O10 P2 -","- C13 H18 Cd Cl2 O10 P2 -","- C26 H36 Cd2 Cl4 O20 P4 -","2","1","","Jokiniemi, Jonna; Vepsäläinen, Jouko; Nätkinniemi, Harri; Peräniemi, Sirpa; Ahlgrén, Markku","Synthesis of phenyl substituted bisphosphonates and crystal structures and characterization of Cd complexes of (dichloromethylene)bisphosphonic acid phenyl and alkyl ester derivatives","CrystEngComm","2009","11","11","2431","","10.1039/b907874f","","","0.71073","MoKα","","0.0201","0.0198","","","0.0499","0.0502","","","","","","1.035","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201303","31.2205","0.0003","10.1546","0.0001","11.651","0.0001","90","","103.107","0.001","90","","3597.51","0.06","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C4.5 H21 Cd1.5 Cl2 O13 P2 -","- C4.5 H21 Cd1.5 Cl2 O13 P2 -","- C36 H168 Cd12 Cl16 O104 P16 -","8","1","","Jokiniemi, Jonna; Vepsäläinen, Jouko; Nätkinniemi, Harri; Peräniemi, Sirpa; Ahlgrén, Markku","Synthesis of phenyl substituted bisphosphonates and crystal structures and characterization of Cd complexes of (dichloromethylene)bisphosphonic acid phenyl and alkyl ester derivatives","CrystEngComm","2009","11","11","2431","","10.1039/b907874f","","","0.71073","MoKα","","0.0283","0.0245","","","0.0575","0.0592","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201304","8.0891","0.0012","9.4027","0.0009","10.1213","0.0011","114.699","0.011","103.187","0.009","101.465","0.009","642.21","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H11 Co N2 O5 -","- C15 H11 Co N2 O5 -","- C30 H22 Co2 N4 O10 -","2","1","","Fabelo, Oscar; Pasán, Jorge; Cañadillas-Delgado, Laura; Delgado, Fernando S.; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Novel cobalt(II) coordination polymers based on 1,2,4,5-benzenetetracarboxylic acid and extended bis-monodentate ligands","CrystEngComm","2009","11","10","2169","","10.1039/b907895a","","x-ray","0.71073","Mokα","","0.0868","0.054","","","0.0731","0.0811","","","","","","1.127","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201305","9.0734","0.0004","9.5955","0.0007","10.1366","0.0007","93.025","0.006","113.334","0.005","106.25","0.004","764.46","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Co N4 O10 -","- C34 H28 Co N4 O10 -","- C34 H28 Co N4 O10 -","1","0.5","","Fabelo, Oscar; Pasán, Jorge; Cañadillas-Delgado, Laura; Delgado, Fernando S.; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Novel cobalt(II) coordination polymers based on 1,2,4,5-benzenetetracarboxylic acid and extended bis-monodentate ligands","CrystEngComm","2009","11","10","2169","","10.1039/b907895a","","x-ray","0.71073","Mokα","","0.0677","0.0427","","","0.0823","0.0891","","","","","","1.028","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201306","8.9901","0.0014","9.5945","0.0009","10.2763","0.0012","96.211","0.007","114.225","0.012","105.727","0.012","753.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H24 Co N8 O10 -","- C30 H24 Co N8 O10 -","- C30 H24 Co N8 O10 -","1","0.5","","Fabelo, Oscar; Pasán, Jorge; Cañadillas-Delgado, Laura; Delgado, Fernando S.; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Novel cobalt(II) coordination polymers based on 1,2,4,5-benzenetetracarboxylic acid and extended bis-monodentate ligands","CrystEngComm","2009","11","10","2169","","10.1039/b907895a","","x-ray","0.71073","Mokα","","0.0572","0.0433","","","0.0979","0.1035","","","","","","1.104","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201307","9.3705","0.001","11.4792","0.0013","11.6886","0.0009","60.996","0.008","66.612","0.008","66.832","0.008","977.13","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H25 Co N2 O10 -","- C17 H13 Co N2 O10 -","- C34 H26 Co2 N4 O20 -","2","1","","Fabelo, Oscar; Pasán, Jorge; Cañadillas-Delgado, Laura; Delgado, Fernando S.; Yuste, Consuelo; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina","Novel cobalt(II) coordination polymers based on 1,2,4,5-benzenetetracarboxylic acid and extended bis-monodentate ligands","CrystEngComm","2009","11","10","2169","","10.1039/b907895a","","x-ray","0.71073","Mokα","","0.1019","0.0723","","","0.2005","0.2283","","","","","","1.072","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201308","18.4826","0.0009","19.7996","0.001","19.8862","0.001","98.04","0.002","106.87","0.002","108.149","0.002","6402","0.6","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C44 H35 Cd Cl3 N8 O7 -","- C44 H35 Cd Cl3 N8 O7 -","- C264 H210 Cd6 Cl18 N48 O42 -","6","3","","Constable, Edwin C.; Zhang, Guoqi; Housecroft, Catherine E.; Neuburger, Markus; Zampese, Jennifer A.","Adding the second dimension with cadmium: two-dimensional sheets assembled from cadmium(ii) and 4′-phenyl-4,2′:6′,4′′-terpyridine and locked by π-stacked interactions","CrystEngComm","2009","11","11","2279","","10.1039/b907918a","","","0.71073","MoKα","","0.0628","0.0448","","0.0733","0.0458","0.0415","","","","","","1.027","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201309","18.9307","0.0013","18.9307","0.0013","20.989","0.002","90","","90","","90","","7521.9","1","145","2","145","2","","","","","","","","6","P 42/m c m","-P 4c 2c","132","((CH3)4N) Nd (C12H8N2)2 (C28H20S4O16) 3.5H2O","","","- C56 H55 N5 Nd O19.5 S4 -","- C56 H32 N5 Nd0.999 O16 S4 -","- C224 H128 N20 Nd3.996 O64 S16 -","4","0.25","","Liao, Wuping; Liu, Ce; Wang, Xiaofei; Zhu, Guangshan; Zhao, Xiaojun; Zhang, Hongjie","3D metal–organic frameworks incorporating water-soluble tetra-p-sulfonatocalix[4]arene","CrystEngComm","2009","11","11","2282","","10.1039/b908189e","","","0.71073","MoKα","","0.086","0.0691","","","0.212","0.2238","","","","","","1.084","","","","has coordinates","282882","2023-04-27","15:29:05",""
"7201310","19.1147","0.0004","19.1147","0.0004","21.1495","0.0007","90","","90","","90","","7727.4","0.3","185","2","185","2","","","","","","","","6","P 42/m c m","-P 4c 2c","132","((C2H5)4N) Eu (C12H8N2)2 (C28H20S4O16) 5H2O","","","- C60 H66 Eu N5 O21 S4 -","- C60 H32 Eu N5 O16 S4 -","- C240 H128 Eu4 N20 O64 S16 -","4","0.25","","Liao, Wuping; Liu, Ce; Wang, Xiaofei; Zhu, Guangshan; Zhao, Xiaojun; Zhang, Hongjie","3D metal–organic frameworks incorporating water-soluble tetra-p-sulfonatocalix[4]arene","CrystEngComm","2009","11","11","2282","","10.1039/b908189e","","","0.71073","MoKα","","0.078","0.0629","","","0.2064","0.2178","","","","","","1.168","","","","has coordinates","282882","2023-04-27","15:29:06",""
"7201311","18.9307","0.0013","18.9307","0.0013","20.989","0.002","90","","90","","90","","7521.9","1","145","2","145","2","","","","","","","","6","P 42/m c m","-P 4c 2c","132","[(CH3)4N] Nd [C12H8N2]2 [C28H20S4O16] 3.5H2O","","","- C56 H55 N5 Nd O19.5 S4 -","- C56 H32 N5 Nd0.998 O19.5 S4 -","- C224 H128 N20 Nd3.992 O78 S16 -","4","0.25","","Liao, Wuping; Liu, Ce; Wang, Xiaofei; Zhu, Guangshan; Zhao, Xiaojun; Zhang, Hongjie","3D metal–organic frameworks incorporating water-soluble tetra-p-sulfonatocalix[4]arene","CrystEngComm","2009","11","11","2282","","10.1039/b908189e","","","0.71073","MoKα","","0.1514","0.1259","","","0.3533","0.3685","","","","","","1.135","","","","has coordinates","282882","2023-04-27","15:29:06",""
"7201312","19.1147","0.0004","19.1147","0.0004","21.1495","0.0007","90","","90","","90","","7727.4","0.3","184","2","185","2","","","","","","","","6","P 42/m c m","-P 4c 2c","132","[(C2H5)4N] Eu [C12H8N2]2 [C28H20S4O16] 5H2O","","","- C60 H66 Eu N5 O21 S4 -","- C60 H32 Eu N5 O21 S4 -","- C240 H128 Eu4 N20 O84 S16 -","4","0.25","","Liao, Wuping; Liu, Ce; Wang, Xiaofei; Zhu, Guangshan; Zhao, Xiaojun; Zhang, Hongjie","3D metal–organic frameworks incorporating water-soluble tetra-p-sulfonatocalix[4]arene","CrystEngComm","2009","11","11","2282","","10.1039/b908189e","","","0.71073","MoKα","","0.1129","0.0926","","","0.3401","0.3644","","","","","","1.551","","","","has coordinates","282882","2023-04-27","15:29:06",""
"7201314","8.7682","0.0012","22.742","0.003","14.533","0.002","90","","91.819","0.002","90","","2896.5","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H64 N18 O10 Zn -","- C56 H64 N18 O10 Zn -","- C112 H128 N36 O20 Zn2 -","2","0.5","","Khanpour, Mojtaba; Morsali, Ali","Solid state crystal-to-crystal transformation from a monomeric structure to 1-D coordination polymers on anion exchange,","CrystEngComm","2009","11","12","2585","","10.1039/b908362f","","","0.71073","MoKα","","0.0679","0.0581","","","0.1227","0.1279","","","","","","1.152","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201315","12.618","0.004","13.076","0.004","8.739","0.003","90","","106.414","0.004","90","","1383.1","0.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N14 Zn -","- C28 H28 N14 Zn -","- C56 H56 N28 Zn2 -","2","0.5","","Khanpour, Mojtaba; Morsali, Ali","Solid state crystal-to-crystal transformation from a monomeric structure to 1-D coordination polymers on anion exchange,","CrystEngComm","2009","11","12","2585","","10.1039/b908362f","","","0.71073","MoKα","","0.0492","0.0312","","","0.0697","0.0735","","","","","","1.065","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201316","9.5576","0.0005","16.9548","0.001","9.6533","0.0005","90","","98.63","0.003","90","","1546.58","0.15","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H28 N10 S2 Zn -","- C30 H28 N10 S2 Zn -","- C60 H56 N20 S4 Zn2 -","2","0.5","","Khanpour, Mojtaba; Morsali, Ali","Solid state crystal-to-crystal transformation from a monomeric structure to 1-D coordination polymers on anion exchange,","CrystEngComm","2009","11","12","2585","","10.1039/b908362f","","","0.71073","MoKα","","0.0739","0.0632","","","0.2025","0.2069","","","","","","1.195","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201317","22.9263","0.0011","6.4164","0.0004","20.1881","0.001","90","","109.039","0.003","90","","2807.3","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H38 N8 Na2 O19 -","- C10 H38 N8 Na2 O19 -","- C40 H152 N32 Na8 O76 -","4","1","","Gilroy, Joe B.; Lemaire, Martin T.; Patrick, Brian O.; Hicks, Robin G.","Structure and magnetism of a verdazyl radical clathrate hydrate. Strong intermolecular magnetic interactions derived from π-stacking within ice-like channels","CrystEngComm","2009","11","10","2180","","10.1039/b908520c","","","0.71073","MoKα","","0.1006","0.0467","","","0.0959","0.115","","","","","","1.009","","","","has coordinates","273632","2022-03-11","01:09:36",""
"7201325","9.2614","0.0004","16.7417","0.001","19.954","0.002","87.376","0.002","85.775","0.001","80.512","0.001","3041.5","0.4","294.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H24 Cl6 O10 S26 -","- C42 H24 Cl6 O10 S26 -","- C84 H48 Cl12 O20 S52 -","2","1","","Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.","A new anionic acceptor, 2-sulfo-3,5,6-trichloro-1,4-benzoquinone and its charge-transfer salts","CrystEngComm","2009","11","12","2588","","10.1039/b909519e","","","0.71069","MoKα","","","0.0732","","","","0.0596","","","","","","1.109","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201326","20.145","0.005","7.6851","0.0016","10.8017","0.0005","90","","98.2929","0.0009","90","","1654.8","0.5","294.1","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C22 H8 Cl6 O10 S10 -","- C22 H8 Cl6 O10 S10 -","- C44 H16 Cl12 O20 S20 -","2","0.25","","Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.","A new anionic acceptor, 2-sulfo-3,5,6-trichloro-1,4-benzoquinone and its charge-transfer salts","CrystEngComm","2009","11","12","2588","","10.1039/b909519e","","","0.71069","MoKα","","","0.065","","","","0.0527","","","","","","1.159","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201327","10.091","0.003","24.04","0.003","11.305","0.002","90","","94.129","0.019","90","","2735.3","1","295.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C30 H20 Cl3 O5 P S -","- C30 H20 Cl3 O5 P S -","- C120 H80 Cl12 O20 P4 S4 -","4","1","","Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.","A new anionic acceptor, 2-sulfo-3,5,6-trichloro-1,4-benzoquinone and its charge-transfer salts","CrystEngComm","2009","11","12","2588","","10.1039/b909519e","","","0.71069","MoKα","","","0.0482","","","","0.0601","","","","","","1.076","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201328","11.189","0.004","11.313","0.002","12.325","0.003","101.365","0.01","96.986","0.004","109.968","0.0018","1407","0.7","295.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Cl3 O5 P S -","- C30 H22 Cl3 O5 P S -","- C60 H44 Cl6 O10 P2 S2 -","2","1","","Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.","A new anionic acceptor, 2-sulfo-3,5,6-trichloro-1,4-benzoquinone and its charge-transfer salts","CrystEngComm","2009","11","12","2588","","10.1039/b909519e","","","0.71069","MoKα","","","0.0693","","","","0.0547","","","","","","1.069","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201329","8.164","0.002","9.5175","0.0013","11.0589","0.0013","79.876","0.004","80.3547","0.0009","88.6647","0.0012","833.9","0.3","295.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H4 Cl3 O5 S5 -","- C12 H4 Cl3 O5 S5 -","- C24 H8 Cl6 O10 S10 -","2","1","","Akutsu, Hiroki; Yamada, Jun-ichi; Nakatsuji, Shin'ichi; Turner, Scott S.","A new anionic acceptor, 2-sulfo-3,5,6-trichloro-1,4-benzoquinone and its charge-transfer salts","CrystEngComm","2009","11","12","2588","","10.1039/b909519e","","","0.71069","MoKα","","","0.0683","","","","0.0542","","","","","","0.976","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201330","10.73","0.007","6.88","0.004","23.28","0.015","90","","90","","90","","1718.6","1.9","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Ag N7 O3 -","- C18 H12 Ag N7 O3 -","- C72 H48 Ag4 N28 O12 -","4","1","","Yan, Chunfeng; Chen, Lian; Feng, Rui; Jiang, Feilong; Hong, Maochun","Thermally stable helical chain and octanuclear Ag(I) coordination networks with yellow luminescence","CrystEngComm","2009","11","11","2529","","10.1039/b909549g","","","0.71073","MoKα","","0.0606","0.0502","","","0.1378","0.1492","","","","","","0.976","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201331","9.116","0.003","29.567","0.009","21.28","0.006","90","","108.425","0.012","90","","5442","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H48 Ag2 N8 O9 P2 -","- C54 H44 Ag2 N8 O9 P2 -","- C216 H176 Ag8 N32 O36 P8 -","4","1","","Yan, Chunfeng; Chen, Lian; Feng, Rui; Jiang, Feilong; Hong, Maochun","Thermally stable helical chain and octanuclear Ag(I) coordination networks with yellow luminescence","CrystEngComm","2009","11","11","2529","","10.1039/b909549g","","","0.71073","MoKα","","0.0923","0.0693","","","0.1707","0.1864","","","","","","1.14","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201332","12.021","0.003","13.251","0.005","15.09","0.005","78.14","0.02","66.925","0.014","63.551","0.012","1978.5","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H24 Ag4 N16 O9 -","- C37 H24 Ag4 N16 O9 -","- C74 H48 Ag8 N32 O18 -","2","1","","Yan, Chunfeng; Chen, Lian; Feng, Rui; Jiang, Feilong; Hong, Maochun","Thermally stable helical chain and octanuclear Ag(I) coordination networks with yellow luminescence","CrystEngComm","2009","11","11","2529","","10.1039/b909549g","","","0.71073","MoKα","","0.036","0.0319","","","0.0813","0.0839","","","","","","1.065","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201333","7.747","0.005","11.305","0.005","14.063","0.005","102.087","0.005","96.866","0.005","91.748","0.005","1193.7","1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24.5 Cl3 Cu N4 O4.75 -","- C20 H21 Cl3 Cu N4 O4.75 -","- C40 H42 Cl6 Cu2 N8 O9.5 -","2","1","","Beves, Jonathon E.; Constable, Edwin C.; Decurtins, Silvio; Dunphy, Emma L.; Housecroft, Catherine E.; Keene, Tony D.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A.","Structural diversity in the reactions of 4′-(pyridyl)-2,2′:6′,2″-terpyridine ligands and bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(II) with copper(II) salts","CrystEngComm","2009","11","11","2406","","10.1039/b909639f","","","0.71073","MoKα","","0.0419","0.0394","","","0.1064","0.1083","","","","","","1.102","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7201334","11.09","0.002","8.0686","0.0016","21.934","0.004","90","","90","","90","","1962.7","0.6","223","2","223","2","","","","","","","","6","P c c a","-P 2a 2ac","54","","","","- C20 H18 Cl2 Cu N4 O2 -","- C20 H18 Cl2 Cu N4 O2 -","- C80 H72 Cl8 Cu4 N16 O8 -","4","0.5","","Beves, Jonathon E.; Constable, Edwin C.; Decurtins, Silvio; Dunphy, Emma L.; Housecroft, Catherine E.; Keene, Tony D.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A.","Structural diversity in the reactions of 4′-(pyridyl)-2,2′:6′,2″-terpyridine ligands and bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(II) with copper(II) salts","CrystEngComm","2009","11","11","2406","","10.1039/b909639f","","","0.71073","MoKα","","0.0349","0.0316","","","0.0719","0.0733","","","","","","1.173","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201335","8.175","0.003","8.646","0.003","16.128","0.006","95.35","0.03","99.39","0.03","108.48","0.02","1053.8","0.7","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 Cl2 Cu N4 O2 -","- C21 H20 Cl2 Cu N4 O2 -","- C42 H40 Cl4 Cu2 N8 O4 -","2","1","","Beves, Jonathon E.; Constable, Edwin C.; Decurtins, Silvio; Dunphy, Emma L.; Housecroft, Catherine E.; Keene, Tony D.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A.","Structural diversity in the reactions of 4′-(pyridyl)-2,2′:6′,2″-terpyridine ligands and bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(II) with copper(II) salts","CrystEngComm","2009","11","11","2406","","10.1039/b909639f","","","0.71073","MoKα","","0.0389","0.0369","","","0.1002","0.102","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201336","8.6108","0.0009","14.2027","0.0013","15.6746","0.0014","88.347","0.007","78.786","0.008","78.373","0.008","1841.7","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H16 Cl2 Cu N4 O -","- C20 H16 Cl2 Cu N4 O -","- C80 H64 Cl8 Cu4 N16 O4 -","4","2","","Beves, Jonathon E.; Constable, Edwin C.; Decurtins, Silvio; Dunphy, Emma L.; Housecroft, Catherine E.; Keene, Tony D.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A.","Structural diversity in the reactions of 4′-(pyridyl)-2,2′:6′,2″-terpyridine ligands and bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(II) with copper(II) salts","CrystEngComm","2009","11","11","2406","","10.1039/b909639f","","","0.71073","MoKα","","0.0324","0.0303","","","0.079","0.0802","","","","","","1.082","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201337","8.3335","0.0015","15.501","0.003","15.448","0.003","90","","90.173","0.015","90","","1995.5","0.7","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Cl2 Cu N4 O -","- C21 H18 Cl2 Cu N4 O -","- C84 H72 Cl8 Cu4 N16 O4 -","4","1","","Beves, Jonathon E.; Constable, Edwin C.; Decurtins, Silvio; Dunphy, Emma L.; Housecroft, Catherine E.; Keene, Tony D.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A.","Structural diversity in the reactions of 4′-(pyridyl)-2,2′:6′,2″-terpyridine ligands and bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(II) with copper(II) salts","CrystEngComm","2009","11","11","2406","","10.1039/b909639f","","","0.71073","MoKα","","0.043","0.0382","","","0.1006","0.104","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201338","11.894","0.002","13.086","0.003","14.509","0.003","108.38","0.03","105.6","0.03","96.33","0.03","2016.6","1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H68 Cl10 Cu3 Fe2 N16 O6 -","- C80 H68 Cl10 Cu3 Fe2 N16 O6 -","- C80 H68 Cl10 Cu3 Fe2 N16 O6 -","1","0.5","","Beves, Jonathon E.; Constable, Edwin C.; Decurtins, Silvio; Dunphy, Emma L.; Housecroft, Catherine E.; Keene, Tony D.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A.","Structural diversity in the reactions of 4′-(pyridyl)-2,2′:6′,2″-terpyridine ligands and bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(II) with copper(II) salts","CrystEngComm","2009","11","11","2406","","10.1039/b909639f","","","0.71073","MoKα","","0.0985","0.0789","","","0.1946","0.2082","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201339","7.7958","0.0016","11.045","0.002","13.785","0.003","88.48","0.03","85.04","0.03","88.29","0.03","1181.6","0.4","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H23 Cl3 Cu N4 O4 -","- C20 H21 Cl3 Cu N4 O4 -","- C40 H42 Cl6 Cu2 N8 O8 -","2","1","","Beves, Jonathon E.; Constable, Edwin C.; Decurtins, Silvio; Dunphy, Emma L.; Housecroft, Catherine E.; Keene, Tony D.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A.","Structural diversity in the reactions of 4′-(pyridyl)-2,2′:6′,2″-terpyridine ligands and bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(II) with copper(II) salts","CrystEngComm","2009","11","11","2406","","10.1039/b909639f","","","0.71073","MoKα","","0.0693","0.0647","","","0.1722","0.1775","","","","","","1.089","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201340","25.187","0.004","10.8273","0.0017","21.822","0.003","90","","93.36","0.01","90","","5940.8","1.6","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cu N6 O7 -","- C20 H16 Cu N6 O7 -","- C240 H192 Cu12 N72 O84 -","12","3","","Beves, Jonathon E.; Constable, Edwin C.; Decurtins, Silvio; Dunphy, Emma L.; Housecroft, Catherine E.; Keene, Tony D.; Neuburger, Markus; Schaffner, Silvia; Zampese, Jennifer A.","Structural diversity in the reactions of 4′-(pyridyl)-2,2′:6′,2″-terpyridine ligands and bis{4′-(4-pyridyl)-2,2′:6′,2″-terpyridine}iron(II) with copper(II) salts","CrystEngComm","2009","11","11","2406","","10.1039/b909639f","","","0.71073","MoKα","","0.0987","0.076","","0.1381","0.0819","0.0819","","","","","","1.0047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201343","9.475","0.0019","10.6","0.002","13.314","0.004","90","","129.625","0.019","90","","1030","0.5","173","2","173","2","","","","","","","","8","P 1 c 1","P -2yc","7","","","","- C8 H27 Al B5 F N6 O10 Zn -","- C8 H27 Al B5 F N6 O10 Zn -","- C16 H54 Al2 B10 F2 N12 O20 Zn2 -","2","1","","Zhou, Jian; Zheng, Shou-Tian; Zhang, Mingyi; Liu, Guang-Zhen; Yang, Guo-Yu","A new layered aluminoborate [Zn(dien)2][{Al(OH)}{B5O9F}] templated by transition metal complexes","CrystEngComm","2009","11","12","2597","","10.1039/b909693k","","","0.71073","MoKα","","0.0785","0.0652","","","0.1743","0.1889","","","","","","1.015","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201344","29.411","0.01","29.411","0.01","8.116","0.003","90","","90","","120","","6080","4","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C8 H12 In N O8 -","- C8 H12 In N O8 -","- C144 H216 In18 N18 O144 -","18","1","","Gao, Qiang; Wu, Ming-Yan; Huang, You-Gui; Chen, Lian; Wei, Wei; Zhang, Qing-Fu; Jiang, Fei-Long; Hong, Mao-Chun","Double-walled tubular metal‒organic frameworks constructed from bi-strand helices","CrystEngComm","2009","11","9","1831","","10.1039/b909731g","","","0.71073","MoKα","","0.0667","0.0462","","","0.0994","0.1078","","","","","","1.088","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201345","27.652","0.005","27.652","0.005","20.028","0.009","90","","90","","120","","13262","7","293","2","293","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","","","- C16 H16 In2 O19 S2 -","- C16 H12 In2 O19 S2.003 -","- C288 H216 In36 O342 S36.054 -","18","0.5","","Gao, Qiang; Wu, Ming-Yan; Huang, You-Gui; Chen, Lian; Wei, Wei; Zhang, Qing-Fu; Jiang, Fei-Long; Hong, Mao-Chun","Double-walled tubular metal‒organic frameworks constructed from bi-strand helices","CrystEngComm","2009","11","9","1831","","10.1039/b909731g","","","0.71073","MoKα","","0.0658","0.06","","","0.1757","0.182","","","","","","1.074","","","","has coordinates,has disorder","180344","2020-10-21","18:00:00",""
"7201346","14.8041","0.0009","10.8197","0.0004","16.0239","0.0008","90","","110.092","0.006","90","","2410.4","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Cd3 N4 O16 -","- C18 H22 Cd3 N4 O16 -","- C72 H88 Cd12 N16 O64 -","4","0.5","","Liu, Yong-Ru; Li, Lei; Yang, Tao; Yu, Xing-Wen; Su, Cheng-Yong","Dehydration and rehydration behavior of a trinodal topological 3-D framework of Cd(II) benzimidazole-5,6-dicarboxylate","CrystEngComm","2009","11","12","2712","","10.1039/b909772d","","","0.71073","MoKα","","0.0613","0.0377","","","0.0596","0.0627","","","","","","1.009","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201347","14.319","0.003","11.0272","0.0016","16.0721","0.0018","90","","109.962","0.017","90","","2385.3","0.7","333","2","333","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H18 Cd3 N4 O14 -","- C18 H18 Cd3 N4 O14 -","- C72 H72 Cd12 N16 O56 -","4","0.5","","Liu, Yong-Ru; Li, Lei; Yang, Tao; Yu, Xing-Wen; Su, Cheng-Yong","Dehydration and rehydration behavior of a trinodal topological 3-D framework of Cd(II) benzimidazole-5,6-dicarboxylate","CrystEngComm","2009","11","12","2712","","10.1039/b909772d","","","0.71073","MoKα","","0.1347","0.0733","","","0.1436","0.1626","","","","","","1.003","","","","has coordinates","180344","2020-10-21","18:00:00",""
"7201398","10.2001","0.0006","10.4146","0.0006","10.7531","0.0007","111.736","0.001","117.78","0.001","92.027","0.001","908.23","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H50 O22 Sm2 -","- C24 H30 O19 Sm2 -","- C24 H30 O19 Sm2 -","1","0.5","","Lü, Jian; Bi, Wen-Hua; Cao, Rong","Observation of the least stable conformer of 1,4-cyclohexanedicarboxylic anions in a samarium coordination architecture","CrystEngComm","2009","11","11","2248","","10.1039/b909821f","","","0.71073","MoKα","","0.0631","0.0548","","","0.1343","0.1428","","","","","","1.056","","","","has coordinates,has disorder","180344","2020-10-21","18:00:00",""
"7201400","20.622","0.004","7.3581","0.0015","21.626","0.004","90","","103.42","0.03","90","","3191.9","1.1","153","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 S -","- C18 H17 N3 S -","- C144 H136 N24 S8 -","8","2","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","0.71073","MoKα","","0.1081","0.0394","","","0.0856","0.1016","","","","","","0.905","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201401","18.946","0.004","8.8906","0.0018","20.698","0.004","90","","104.51","0.03","90","","3375.2","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H38 N6 O S2 -","- C37 H34 N6 O S2 -","- C148 H136 N24 O4 S8 -","4","0.5","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","0.71073","MoKα","","0.0625","0.0531","","","0.1319","0.1371","","","","","","1.146","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201402","16.458","0.005","6.0708","0.0004","21.095","0.0012","90","","90","","90","","2107.7","0.7","293","2","293","2","","","280000","","","","","6","P b c n","-P 2n 2ab","60","bromochlorofluorocarboxylic acid","bromochlorofluorocarboxylic acid","","- C2 H Br Cl F O2 -","- C2 H Br Cl F O2 -","- C32 H16 Br16 Cl16 F16 O32 -","16","2","","Gajda, Roman; Katrusiak, Andrzej; Crassous, Jeanne","Pressure-controlled aggregation in carboxylic acids. A case study on the polymorphism of bromochlorofluoroacetic acid","CrystEngComm","2009","11","12","2668","","10.1039/b910409g","","","0.71073","MoKα","","0.082","0.0684","","","0.1611","0.1696","","","","","","1.204","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201403","16.169","0.004","6.0038","0.0016","20.971","0.004","90","","90","","90","","2035.8","0.8","293","2","293","2","","","590000","","","","","6","P b c n","-P 2n 2ab","60","bromochlorofluorocarboxylic acid","bromochlorofluorocarboxylic acid","","- C2 H Br Cl F O2 -","- C2 H Br Cl F O2 -","- C32 H16 Br16 Cl16 F16 O32 -","16","2","","Gajda, Roman; Katrusiak, Andrzej; Crassous, Jeanne","Pressure-controlled aggregation in carboxylic acids. A case study on the polymorphism of bromochlorofluoroacetic acid","CrystEngComm","2009","11","12","2668","","10.1039/b910409g","","","0.71073","MoKα","","0.0694","0.0616","","","0.1475","0.153","","","","","","1.026","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201404","7.898","0.002","7.84","0.003","8.043","0.002","90","","95.553","0.014","90","","495.7","0.3","293","2","293","2","","","800000","","","","","6","P 1 21/c 1","-P 2ybc","14","bromochlorofluorocarboxylic acid","bromochlorofluorocarboxylic acid","","- C2 H Br Cl F O2 -","- C2 H Br Cl F O2 -","- C8 H4 Br4 Cl4 F4 O8 -","4","1","","Gajda, Roman; Katrusiak, Andrzej; Crassous, Jeanne","Pressure-controlled aggregation in carboxylic acids. A case study on the polymorphism of bromochlorofluoroacetic acid","CrystEngComm","2009","11","12","2668","","10.1039/b910409g","","","0.71073","MoKα","","0.0589","0.0575","","","0.1732","0.1751","","","","","","1.203","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201405","7.73","0.003","7.685","0.003","7.997","0.002","90","","95.74","0.02","90","","472.7","0.3","293","2","293","2","","","1370000","","","","","6","P 1 21/c 1","-P 2ybc","14","bromochlorofluorocarboxylic acid","bromochlorofluorocarboxylic acid","","- C2 H Br Cl F O2 -","- C2 H Br Cl F O2 -","- C8 H4 Br4 Cl4 F4 O8 -","4","1","","Gajda, Roman; Katrusiak, Andrzej; Crassous, Jeanne","Pressure-controlled aggregation in carboxylic acids. A case study on the polymorphism of bromochlorofluoroacetic acid","CrystEngComm","2009","11","12","2668","","10.1039/b910409g","","","0.71073","MoKα","","0.0467","0.0443","","","0.1173","0.1201","","","","","","1.173","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201406","15.274","0.004","5.8537","0.0003","20.7562","0.0012","90","","90","","90","","1855.8","0.5","293","2","293","2","","","1930000","","","","","6","P b c n","-P 2n 2ab","60","bromochlorofluorocarboxylic acid","bromochlorofluorocarboxylic acid","","- C2 H Br Cl F O2 -","- C2 H Br Cl F O2 -","- C32 H16 Br16 Cl16 F16 O32 -","16","2","","Gajda, Roman; Katrusiak, Andrzej; Crassous, Jeanne","Pressure-controlled aggregation in carboxylic acids. A case study on the polymorphism of bromochlorofluoroacetic acid","CrystEngComm","2009","11","12","2668","","10.1039/b910409g","","","0.71073","MoKα","","0.1144","0.1076","","","0.2752","0.2815","","","","","","1.241","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201407","11.0197","0.0001","11.501","0.0002","35.2773","0.0005","89.1256","0.0004","85.2348","0.0005","70.0039","0.0006","4186.5","0.1","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H46 Cl2 Fe O14 S40 -","- C57 H42 Cl2 Fe O14 S40 -","- C114 H84 Cl4 Fe2 O28 S80 -","2","1","","Zhang, Bin; Zhang, Yan; Liu, Fen; Guo, Yanjun","Synthesis, crystal structure, and characterization of charge-transfer salt: (BEDT-TTF)5[Fe(C2O4)3]·(H2O)2·CH2Cl2 (BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene)","CrystEngComm","2009","11","11","2523","","10.1039/b910483f","","","0.71073","MoKα","","0.0869","0.0414","","","0.0898","0.0987","","","","","","0.936","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201408","11.148","0.0001","11.55","0.0001","35.312","0.0006","89.3682","0.0004","85.1561","0.0005","70.333","0.0007","4265.49","0.09","290","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H46 Cl2 Fe O14 S40 -","- C57 H40 Cl2 Fe O14 S40 -","- C114 H80 Cl4 Fe2 O28 S80 -","2","1","","Zhang, Bin; Zhang, Yan; Liu, Fen; Guo, Yanjun","Synthesis, crystal structure, and characterization of charge-transfer salt: (BEDT-TTF)5[Fe(C2O4)3]·(H2O)2·CH2Cl2 (BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene)","CrystEngComm","2009","11","11","2523","","10.1039/b910483f","","","0.71073","MoKα","","0.1256","0.0474","","","0.09","0.1045","","","","","","0.898","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201409","8.747","0.0017","26.028","0.005","15.665","0.003","90","","104.07","0.03","90","","3459.4","1.2","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 Co Cr K N3 O18 -","- C28 H33 Co Cr K N3 O18 -","- C112 H132 Co4 Cr4 K4 N12 O72 -","4","1","","Coronado, Eugenio; Galán-Mascarós, José R.; Martí-Gastaldo, Carlos","Design of bimetallic magnetic chains based on oxalate complexes: towards single chain magnets","CrystEngComm","2009","11","10","2143","","10.1039/b910490a","","","0.71073","MoKα","","0.1552","0.0764","","","0.1768","0.2322","","","","","","1.026","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201410","8.819","0.0018","26.198","0.005","15.739","0.003","90","","103.39","0.03","90","","3537.5","1.3","298","2","298","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 Co Fe K N3 O18 -","- C28 H33 Co Fe K N3 O18 -","- C112 H132 Co4 Fe4 K4 N12 O72 -","4","1","","Coronado, Eugenio; Galán-Mascarós, José R.; Martí-Gastaldo, Carlos","Design of bimetallic magnetic chains based on oxalate complexes: towards single chain magnets","CrystEngComm","2009","11","10","2143","","10.1039/b910490a","","","0.71073","MoKα","","0.0987","0.0613","","","0.1551","0.1777","","","","","","1.034","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201411","17.2848","0.0006","17.2848","0.0006","19.256","0.0011","90","","90","","120","","4982.2","0.4","120","2","120","2","","","","","","","","7","P -3 1 c","-P 3 2c","163","","","","- C72 H114 Cu3 Mo6 N12 O57 Te -","- C72 H114 Cu3 Mo6 N12 O57 Te -","- C144 H228 Cu6 Mo12 N24 O114 Te2 -","2","0.166667","","Ali, Mahammad; Dutta, Daipayan; Biswas, Surajit; Marek, Jaromir; Jana, Atish Dipankar","The first crystallographic observation of up to the third hydration layer of Cu(II) ion in an unusual ‘water-cation layer’ templated by an Anderson polyoxometallate","CrystEngComm","2009","11","12","2608","","10.1039/b910732k","","","0.71073","MoKα","","0.064","0.0554","","","0.1312","0.1351","","","","","","1.152","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201414","8.5529","0.0002","20.5796","0.0005","11.9813","0.0002","90","","96.594","0.001","90","","2094.94","0.08","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H34 N6 O8 -","- C48 H34 N6 O8 -","- C96 H68 N12 O16 -","2","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Different solvates of two isomeric dicarboxylic acids with pyridine and quinoline","CrystEngComm","2009","11","12","2688","","10.1039/b911084d","","","0.71073","MoKα","","0.0984","0.05","","","0.1291","0.1512","","","","","","1.044","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201415","8.7635","0.0006","11.8723","0.0009","12.1962","0.0014","116.061","0.006","95.775","0.006","107.994","0.004","1041.85","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H34 N6 O8 -","- C48 H34 N6 O8 -","- C48 H34 N6 O8 -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Different solvates of two isomeric dicarboxylic acids with pyridine and quinoline","CrystEngComm","2009","11","12","2688","","10.1039/b911084d","","","0.71073","MoKα","","0.0855","0.0588","","","0.1627","0.1837","","","","","","1.062","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201416","9.3","0.0003","12.2201","0.0004","12.98","0.0005","97.639","0.002","90.821","0.003","99.932","0.002","1439.09","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C73 H49 N7 O8 -","- C73 H49 N7 O8 -","- C73 H49 N7 O8 -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Different solvates of two isomeric dicarboxylic acids with pyridine and quinoline","CrystEngComm","2009","11","12","2688","","10.1039/b911084d","","","0.71073","MoKα","","0.1123","0.0532","","","0.1289","0.1561","","","","","","1.03","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201417","7.2585","0.0004","8.3289","0.0005","15.4654","0.0009","96.907","0.003","102.363","0.003","97.388","0.003","895.1","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H29 N5 O8 -","- C43 H29 N5 O8 -","- C43 H29 N5 O8 -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Different solvates of two isomeric dicarboxylic acids with pyridine and quinoline","CrystEngComm","2009","11","12","2688","","10.1039/b911084d","","","0.71073","MoKα","","0.0871","0.0517","","","0.1456","0.1697","","","","","","1.066","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201418","16.228","0.003","15.687","0.003","18.544","0.003","90","","108.182","0.009","90","","4485","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H35 N5 O8 -","- C55 H35 N5 O8 -","- C220 H140 N20 O32 -","4","1","","Singh, Devendra; Baruah, Jubaraj B.","Different solvates of two isomeric dicarboxylic acids with pyridine and quinoline","CrystEngComm","2009","11","12","2688","","10.1039/b911084d","","","0.71073","MoKα","","0.2006","0.0911","","","0.2657","0.3535","","","","","","1.004","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201419","7.5934","0.0005","9.385","0.0007","15.9125","0.0011","101.006","0.004","98.361","0.004","95.64","0.004","1091.99","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H35 N5 O8 -","- C55 H35 N5 O8 -","- C55 H35 N5 O8 -","1","0.5","","Singh, Devendra; Baruah, Jubaraj B.","Different solvates of two isomeric dicarboxylic acids with pyridine and quinoline","CrystEngComm","2009","11","12","2688","","10.1039/b911084d","","","0.71073","MoKα","","0.0875","0.049","","","0.1131","0.1321","","","","","","1.018","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201420","11.7112","0.0012","13.2845","0.0013","13.5924","0.0014","64.22","0.002","83.998","0.002","67.818","0.002","1758.8","0.3","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H46 La2 N10 O12 -","- C84 H46 La2 N10 O12 -","- C84 H46 La2 N10 O12 -","1","0.5","","Zhou, Jie; Yan, Shaohua; Yuan, Daqiang; Zheng, Xiangjun; Li, Licun; Jin, Linpei","Structural diversity of lanthanide coordination polymers with 2,2′-biquinoline-4,4′-dicarboxylate","CrystEngComm","2009","11","12","2640","","10.1039/b911100j","","","0.71073","MoKα","","0.0326","0.0266","","","0.061","0.0642","","","","","","1.044","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201421","11.6678","0.0018","13.1906","0.0017","13.541","0.002","64.14","0.005","83.693","0.008","67.911","0.006","1734","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H23 N5 O6 Pr -","- C42 H23 N5 O6 Pr -","- C84 H46 N10 O12 Pr2 -","2","1","","Zhou, Jie; Yan, Shaohua; Yuan, Daqiang; Zheng, Xiangjun; Li, Licun; Jin, Linpei","Structural diversity of lanthanide coordination polymers with 2,2′-biquinoline-4,4′-dicarboxylate","CrystEngComm","2009","11","12","2640","","10.1039/b911100j","","","0.7107","MoKα","","0.0399","0.0335","","","0.0639","0.0673","","","","","","1.05","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201422","18.235","0.004","17.42","0.003","28.42","0.009","90","","124.02","0.02","90","","7483","4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C80 H60 Gd4 N8 O28 -","- C80 H60 Gd4 N8 O28 -","- C320 H240 Gd16 N32 O112 -","4","1","","Zhou, Jie; Yan, Shaohua; Yuan, Daqiang; Zheng, Xiangjun; Li, Licun; Jin, Linpei","Structural diversity of lanthanide coordination polymers with 2,2′-biquinoline-4,4′-dicarboxylate","CrystEngComm","2009","11","12","2640","","10.1039/b911100j","","","0.71073","MoKα","","0.0908","0.074","","","0.1232","0.1318","","","","","","1.192","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201423","18.275","0.002","8.778","0.001","23.746","0.003","90","","95.529","0.002","90","","3791.6","0.8","294","2","294","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H30 N4 O14 Tb2 -","- C40 H30 N4 O14 Tb2 -","- C160 H120 N16 O56 Tb8 -","4","1","","Zhou, Jie; Yan, Shaohua; Yuan, Daqiang; Zheng, Xiangjun; Li, Licun; Jin, Linpei","Structural diversity of lanthanide coordination polymers with 2,2′-biquinoline-4,4′-dicarboxylate","CrystEngComm","2009","11","12","2640","","10.1039/b911100j","","","0.71073","MoKα","","0.1008","0.0441","","","0.0782","0.095","","","","","","0.954","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201424","18.145","0.004","8.6821","0.0017","23.527","0.005","90","","95.47","0.03","90","","3689.5","1.4","294","2","294","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C40 H30 N4 O14 Yb2 -","- C40 H30 N4 O14 Yb2 -","- C160 H120 N16 O56 Yb8 -","4","1","","Zhou, Jie; Yan, Shaohua; Yuan, Daqiang; Zheng, Xiangjun; Li, Licun; Jin, Linpei","Structural diversity of lanthanide coordination polymers with 2,2′-biquinoline-4,4′-dicarboxylate","CrystEngComm","2009","11","12","2640","","10.1039/b911100j","","","0.71073","MoKα","","0.0387","0.0369","","","0.0943","0.0962","","","","","","1.116","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201425","7.871","0.0003","13.117","0.0005","14.7856","0.0005","82.907","0.002","78.582","0.002","83.523","0.002","1478.72","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 N3 Na O10 Pr -","- C32 H22 N3 Na O10 Pr -","- C64 H44 N6 Na2 O20 Pr2 -","2","1","","Zhou, Jie; Yan, Shaohua; Yuan, Daqiang; Zheng, Xiangjun; Li, Licun; Jin, Linpei","Structural diversity of lanthanide coordination polymers with 2,2′-biquinoline-4,4′-dicarboxylate","CrystEngComm","2009","11","12","2640","","10.1039/b911100j","","","0.71073","MoKα","","0.0483","0.0472","","","0.123","0.1236","","","","","","1.186","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201426","7.7605","0.0011","13.037","0.002","14.738","0.002","82.568","0.008","78.735","0.01","83.762","0.01","1444.7","0.4","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 N3 Na Nd O10 -","- C32 H22 N3 Na Nd O10 -","- C64 H44 N6 Na2 Nd2 O20 -","2","1","","Zhou, Jie; Yan, Shaohua; Yuan, Daqiang; Zheng, Xiangjun; Li, Licun; Jin, Linpei","Structural diversity of lanthanide coordination polymers with 2,2′-biquinoline-4,4′-dicarboxylate","CrystEngComm","2009","11","12","2640","","10.1039/b911100j","","","0.7107","MoKα","","0.0336","0.0303","","","0.0918","0.0928","","","","","","1.274","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201427","7.779","0.0001","12.9907","0.0002","14.6997","0.0002","83.551","0.001","79.421","0.001","82.953","0.001","1443.04","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H22 N3 Na O10 Y -","- C32 H22 N3 Na O10 Y -","- C64 H44 N6 Na2 O20 Y2 -","2","1","","Zhou, Jie; Yan, Shaohua; Yuan, Daqiang; Zheng, Xiangjun; Li, Licun; Jin, Linpei","Structural diversity of lanthanide coordination polymers with 2,2′-biquinoline-4,4′-dicarboxylate","CrystEngComm","2009","11","12","2640","","10.1039/b911100j","","","0.71073","MoKα","","0.0383","0.031","","","0.0714","0.0745","","","","","","1.019","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201428","8.291","0.0006","15.3993","0.0012","28.362","0.003","90","","91.027","0.006","90","","3620.6","0.5","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H39 Fe N10 O11.5 -","- C31 H39 Fe N10 O11.5 -","- C124 H156 Fe4 N40 O46 -","4","1","","Coronado, Eugenio; Giménez-López, M. Carmen; Giménez-Saiz, Carlos; Romero, Francisco M.","Spin crossover complexes as building units of hydrogen-bonded nanoporous structures","CrystEngComm","2009","11","10","2198","","10.1039/b911137a","","","0.71073","MoKα","","0.1354","0.0482","","","0.0673","0.0779","","","","","","0.729","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201429","5.567","0.0007","8.5723","0.001","8.8394","0.0011","71.139","0.002","73.078","0.002","86.534","0.002","381.64","0.08","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl4 N2 O2 U -","- C10 H10 Cl4 N2 O2 U -","- C10 H10 Cl4 N2 O2 U -","1","0.5","","Deifel, Nicholas P.; Cahill, Christopher L.","The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials","CrystEngComm","2009","11","12","2739","","10.1039/b911470j","","","0.71073","MoKα","","0.026","0.026","","","0.0665","0.0665","","","","","","1.018","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201430","7.0295","0.0002","8.2438","0.0002","8.7676","0.0002","82.81","","70.63","","66.07","","438.094","0.019","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H14 Cl4 N2 O2 U -","- C12 H14 Cl4 N2 O2 U -","- C12 H14 Cl4 N2 O2 U -","1","0.5","","Deifel, Nicholas P.; Cahill, Christopher L.","The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials","CrystEngComm","2009","11","12","2739","","10.1039/b911470j","","","0.71073","MoKα","","0.0184","0.0183","","","0.0437","0.0437","","","","","","0.904","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201431","7","0.0002","8.1759","0.0002","8.4438","0.0002","81.59","","73.86","","66.8","","426.295","0.019","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Cl4 N2 O2 U -","- C12 H12 Cl4 N2 O2 U -","- C12 H12 Cl4 N2 O2 U -","1","0.5","","Deifel, Nicholas P.; Cahill, Christopher L.","The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials","CrystEngComm","2009","11","12","2739","","10.1039/b911470j","","","0.71073","MoKα","","0.0142","0.0142","","","0.0343","0.0343","","","","","","0.997","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201432","8.0673","0.0003","8.6337","0.0003","9.2526","0.0003","67.99","0.001","71.985","0.001","77.572","0.001","564.57","0.03","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Cl4 N2 O6 U -","- C16 H16 Cl4 N2 O6 U -","- C16 H16 Cl4 N2 O6 U -","1","0.5","","Deifel, Nicholas P.; Cahill, Christopher L.","The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials","CrystEngComm","2009","11","12","2739","","10.1039/b911470j","","","0.71073","MoKα","","0.0214","0.0212","","","0.0448","0.0449","","","","","","1.018","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201433","12.837","0.0003","11.6971","0.0003","12.374","0.0003","90","","102.24","","90","","1815.79","0.08","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H16 Cl4 N2 O2 U -","- C13 H16 Cl4 N2 O2 U -","- C52 H64 Cl16 N8 O8 U4 -","4","0.5","","Deifel, Nicholas P.; Cahill, Christopher L.","The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials","CrystEngComm","2009","11","12","2739","","10.1039/b911470j","","","0.71073","MoKα","","0.028","0.0167","","","0.0361","0.0402","","","","","","1.023","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201434","7.129","0.0004","9.9708","0.0005","11.4392","0.0006","71.309","0.001","72.594","0.001","77.249","0.001","727.92","0.07","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H26 Cl6 N6 O4 U -","- C20 H22 Cl6 N6 O4 U -","- C20 H22 Cl6 N6 O4 U -","1","0.5","","Deifel, Nicholas P.; Cahill, Christopher L.","The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials","CrystEngComm","2009","11","12","2739","","10.1039/b911470j","","","0.71073","MoKα","","0.0155","0.0155","","","0.042","0.042","","","","","","1.077","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201435","7.023","0.0002","15.412","0.0004","13.4514","0.0003","90","","102.76","","90","","1420","0.06","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cl6 N4 O4 U -","- C20 H20 Cl6 N4 O4 U -","- C40 H40 Cl12 N8 O8 U2 -","2","0.5","","Deifel, Nicholas P.; Cahill, Christopher L.","The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials","CrystEngComm","2009","11","12","2739","","10.1039/b911470j","","","0.71073","MoKα","","0.0263","0.019","","","0.0472","0.0508","","","","","","0.962","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201436","16.962","0.003","7.9204","0.0016","25.187","0.005","90","","105.45","0.03","90","","3261.5","1.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C41 H30 N2 O8 -","- C41 H30 N2 O8 -","- C164 H120 N8 O32 -","4","0.5","","Men, Yong-Biao; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Construction of 3-fold interpenetrated pcu organic frameworks from methanetetrabenzoic acid with zigzag bipyridines","CrystEngComm","2009","11","11","2277","","10.1039/b911506d","","","0.71073","MoKα","","0.0579","0.0519","","","0.1275","0.1315","","","","","","1.096","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201437","17.02","0.003","7.9746","0.0016","24.621","0.005","90","","104.15","0.03","90","","3240.4","1.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C39 H28 N4 O8 -","- C39 H28 N4 O8 -","- C156 H112 N16 O32 -","4","0.5","","Men, Yong-Biao; Sun, Junliang; Huang, Zhi-Tang; Zheng, Qi-Yu","Construction of 3-fold interpenetrated pcu organic frameworks from methanetetrabenzoic acid with zigzag bipyridines","CrystEngComm","2009","11","11","2277","","10.1039/b911506d","","","0.71073","MoKα","","0.0998","0.0714","","","0.1356","0.1464","","","","","","1.175","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201441","26.02","0.006","7.128","0.002","11.941","0.006","90","","100.79","0.02","90","","2175.5","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H10 Br N5 O -","- C9 H10 Br N5 O -","- C72 H80 Br8 N40 O8 -","8","1","","Lee, Kwang-Ming; Chen, Jack C. C.; Huang, Chao-June; Lin, Ivan J. B.","Anion-controlled assemble of C‒H⋯X hydrogen bonded helical tubes or catemers by crescent imidazolium salts","CrystEngComm","2009","11","12","2804","","10.1039/b911665f","","","0.71073","MoKα","","0.0476","0.04","","","0.1044","0.1096","","","","","","1.103","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201442","12.9852","0.0016","24.937","0.002","8.9006","0.0012","90","","104.745","0.016","90","","2787.2","0.6","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 F6 N5 O P -","- C9 H10 F6 N5 O P -","- C72 H80 F48 N40 O8 P8 -","8","2","","Lee, Kwang-Ming; Chen, Jack C. C.; Huang, Chao-June; Lin, Ivan J. B.","Anion-controlled assemble of C‒H⋯X hydrogen bonded helical tubes or catemers by crescent imidazolium salts","CrystEngComm","2009","11","12","2804","","10.1039/b911665f","","","0.71073","MoKα","","0.0609","0.0432","","","0.1078","0.1181","","","","","","1.032","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201443","13.887","0.0004","7.1595","0.0002","11.3891","0.0004","90","","99.505","0.001","90","","1116.8","0.06","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 N6 O4 -","- C9 H10 N6 O4 -","- C36 H40 N24 O16 -","4","1","","Lee, Kwang-Ming; Chen, Jack C. C.; Huang, Chao-June; Lin, Ivan J. B.","Anion-controlled assemble of C‒H⋯X hydrogen bonded helical tubes or catemers by crescent imidazolium salts","CrystEngComm","2009","11","12","2804","","10.1039/b911665f","","","0.71073","MoKα","","0.0435","0.0375","","","0.1061","0.1114","","","","","","1.058","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201444","15.0019","0.0017","5.3086","0.0006","15.7979","0.0017","90","","112.159","0.002","90","","1165.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 B F4 N5 O -","- C9 H10 B F4 N5 O -","- C36 H40 B4 F16 N20 O4 -","4","1","","Lee, Kwang-Ming; Chen, Jack C. C.; Huang, Chao-June; Lin, Ivan J. B.","Anion-controlled assemble of C‒H⋯X hydrogen bonded helical tubes or catemers by crescent imidazolium salts","CrystEngComm","2009","11","12","2804","","10.1039/b911665f","","","0.71073","MoKα","","0.06","0.0433","","","0.0943","0.1008","","","","","","0.976","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201445","32.418","0.003","9.5238","0.0008","15.9371","0.0016","90","","118.442","0.005","90","","4326.6","0.7","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 N6 Ni O2 S2 -","- C22 H17 N6 Ni O2 S2 -","- C176 H136 N48 Ni8 O16 S16 -","8","1","","Sekiya, Ryo; Nishikiori, Shin-ichi; Kuroda, Reiko","Combination between metal–ligand coordination and hydrogen bond interaction: a facile route for the construction of 3D coordination networks with the ability to include relatively large aromatic molecules","CrystEngComm","2009","11","11","2251","","10.1039/b911849g","","x-ray","0.71069","MoKα","","0.1617","0.0592","","","0.0997","0.14","","","","","","0.846","","","","has coordinates","282882","2023-04-27","15:29:06",""
"7201446","7.9523","0.0006","10.9632","0.0006","16.9567","0.001","90.564","0.004","65.422","0.003","56.997","0.009","1071.9","0.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H16 N6 Ni O3 S2 -","- C21 H16 N6 Ni O3 S2 -","- C42 H32 N12 Ni2 O6 S4 -","2","1","","Sekiya, Ryo; Nishikiori, Shin-ichi; Kuroda, Reiko","Combination between metal–ligand coordination and hydrogen bond interaction: a facile route for the construction of 3D coordination networks with the ability to include relatively large aromatic molecules","CrystEngComm","2009","11","11","2251","","10.1039/b911849g","","x-ray","0.71069","MoKα","","0.0782","0.043","","","0.1096","0.1336","","","","","","1.046","","","","has coordinates","282882","2023-04-27","15:29:06",""
"7201449","9.2844","0.0011","20.105","0.002","7.6606","0.0009","90","","100.057","0.002","90","","1408","0.3","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N6 O12 Zn2 -","- C28 H24 N6 O12 Zn2 -","- C56 H48 N12 O24 Zn4 -","2","0.5","","Yang, Ai-Hong; Quan, Ying-Ping; Gao, Hong-Ling; Fang, Su-Rong; Zhang, Yan-Ping; Zhao, Li-Hua; Cui, Jian-Zhong; Wang, Jian-Hui; Shi, Wei; Cheng, Peng","ds-Block metal ions catalyzed decarboxylation of pyrazine-2,3,5,6-tetracarboxylic acid and the complexes obtained from hydrothermal reactions and novel water clusters","CrystEngComm","2009","11","12","2719","","10.1039/b911939f","","","0.71073","MoKα","","0.0351","0.0285","","","0.0714","0.0747","","","","","","1.061","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201450","11.182","0.002","12.088","0.002","13.495","0.003","97.61","0.03","97.61","0.03","116.83","0.03","1574.8","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 Cu2 N6 O13 -","- C28 H26 Cu2 N6 O13 -","- C56 H52 Cu4 N12 O26 -","2","1","","Yang, Ai-Hong; Quan, Ying-Ping; Gao, Hong-Ling; Fang, Su-Rong; Zhang, Yan-Ping; Zhao, Li-Hua; Cui, Jian-Zhong; Wang, Jian-Hui; Shi, Wei; Cheng, Peng","ds-Block metal ions catalyzed decarboxylation of pyrazine-2,3,5,6-tetracarboxylic acid and the complexes obtained from hydrothermal reactions and novel water clusters","CrystEngComm","2009","11","12","2719","","10.1039/b911939f","","","0.71073","MoKα","","0.1342","0.0722","","","0.1138","0.1331","","","","","","1.046","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201451","10.951","0.002","19.019","0.004","26.714","0.005","90","","90","","90","","5563.9","1.9","113","2","113","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H28 N5 O10 Zn -","- C28 H28 N5 O10 Zn -","- C224 H224 N40 O80 Zn8 -","8","1","","Yang, Ai-Hong; Quan, Ying-Ping; Gao, Hong-Ling; Fang, Su-Rong; Zhang, Yan-Ping; Zhao, Li-Hua; Cui, Jian-Zhong; Wang, Jian-Hui; Shi, Wei; Cheng, Peng","ds-Block metal ions catalyzed decarboxylation of pyrazine-2,3,5,6-tetracarboxylic acid and the complexes obtained from hydrothermal reactions and novel water clusters","CrystEngComm","2009","11","12","2719","","10.1039/b911939f","","","0.71073","MoKα","","0.0671","0.0541","","","0.1221","0.129","","","","","","1.129","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201452","10.328","0.002","26.647","0.005","10.672","0.002","90","","107.89","0.03","90","","2795","1","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N6 O10 Zn -","- C27 H27 N6 O10 Zn -","- C108 H108 N24 O40 Zn4 -","4","1","","Yang, Ai-Hong; Quan, Ying-Ping; Gao, Hong-Ling; Fang, Su-Rong; Zhang, Yan-Ping; Zhao, Li-Hua; Cui, Jian-Zhong; Wang, Jian-Hui; Shi, Wei; Cheng, Peng","ds-Block metal ions catalyzed decarboxylation of pyrazine-2,3,5,6-tetracarboxylic acid and the complexes obtained from hydrothermal reactions and novel water clusters","CrystEngComm","2009","11","12","2719","","10.1039/b911939f","","","0.71073","MoKα","","0.0899","0.0732","","","0.1715","0.1821","","","","","","1.116","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201453","10.3969","0.0019","26.575","0.005","10.705","0.002","90","","108.183","0.003","90","","2810.1","0.9","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 Cu N6 O10 -","- C27 H27 Cu N6 O10 -","- C108 H108 Cu4 N24 O40 -","4","1","","Yang, Ai-Hong; Quan, Ying-Ping; Gao, Hong-Ling; Fang, Su-Rong; Zhang, Yan-Ping; Zhao, Li-Hua; Cui, Jian-Zhong; Wang, Jian-Hui; Shi, Wei; Cheng, Peng","ds-Block metal ions catalyzed decarboxylation of pyrazine-2,3,5,6-tetracarboxylic acid and the complexes obtained from hydrothermal reactions and novel water clusters","CrystEngComm","2009","11","12","2719","","10.1039/b911939f","","","0.71073","MoKα","","0.1134","0.0541","","","0.1207","0.1451","","","","","","1.004","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201454","7.0457","0.0014","18.245","0.004","12.884","0.003","90","","98.89","0.03","90","","1636.3","0.6","113","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 Cu2 N8 O18 -","- C28 H26 Cu2 N8 O18 -","- C56 H52 Cu4 N16 O36 -","2","0.5","","Yang, Ai-Hong; Quan, Ying-Ping; Gao, Hong-Ling; Fang, Su-Rong; Zhang, Yan-Ping; Zhao, Li-Hua; Cui, Jian-Zhong; Wang, Jian-Hui; Shi, Wei; Cheng, Peng","ds-Block metal ions catalyzed decarboxylation of pyrazine-2,3,5,6-tetracarboxylic acid and the complexes obtained from hydrothermal reactions and novel water clusters","CrystEngComm","2009","11","12","2719","","10.1039/b911939f","","","0.71073","MoKα","","0.0705","0.054","","","0.1057","0.1129","","","","","","1.089","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201455","7.7443","0.0015","10.237","0.002","11.806","0.002","104.08","0.03","102.11","0.03","93.61","0.03","881.2","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cd N4 O6 -","- C18 H14 Cd N4 O6 -","- C36 H28 Cd2 N8 O12 -","2","1","","Yang, Ai-Hong; Quan, Ying-Ping; Gao, Hong-Ling; Fang, Su-Rong; Zhang, Yan-Ping; Zhao, Li-Hua; Cui, Jian-Zhong; Wang, Jian-Hui; Shi, Wei; Cheng, Peng","ds-Block metal ions catalyzed decarboxylation of pyrazine-2,3,5,6-tetracarboxylic acid and the complexes obtained from hydrothermal reactions and novel water clusters","CrystEngComm","2009","11","12","2719","","10.1039/b911939f","","","0.71073","MoKα","","0.043","0.0339","","","0.0935","0.1383","","","","","","1.116","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201456","7.3378","0.0015","10.694","0.002","11.744","0.002","114.24","0.03","103.29","0.03","93.4","0.03","805.4","0.4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Cd N4 O6 -","- C16 H14 Cd N4 O6 -","- C32 H28 Cd2 N8 O12 -","2","1","","Yang, Ai-Hong; Quan, Ying-Ping; Gao, Hong-Ling; Fang, Su-Rong; Zhang, Yan-Ping; Zhao, Li-Hua; Cui, Jian-Zhong; Wang, Jian-Hui; Shi, Wei; Cheng, Peng","ds-Block metal ions catalyzed decarboxylation of pyrazine-2,3,5,6-tetracarboxylic acid and the complexes obtained from hydrothermal reactions and novel water clusters","CrystEngComm","2009","11","12","2719","","10.1039/b911939f","","","0.71073","MoKα","","0.0223","0.0204","","","0.0529","0.0535","","","","","","1.025","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201457","15.679","0.004","12.699","0.003","8.932","0.002","90","","90","","90","","1778.4","0.7","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H21 Cu2 N9 O8 -","- C9 H21 Cu2 N9 O8 -","- C36 H84 Cu8 N36 O32 -","4","0.5","","Moggach, Stephen A.; Galloway, Kyle W.; Lennie, Alistair R.; Parois, Pascal; Rowantree, Niall; Brechin, Euan K.; Warren, John E.; Murrie, Mark; Parsons, Simon","Polymerisation of a Cu(II) dimer into 1D chains using high pressure","CrystEngComm","2009","11","12","2601","","10.1039/b912707k","","","0.71073","MoKα","","0.0685","0.0582","","0.124","0.1215","0.124","","","","","","0.9563","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201458","15.6012","0.0009","12.5198","0.0003","8.8557","0.0002","90","","90","","90","","1729.73","0.11","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H21 Cu2 N9 O8 -","- C9 H21 Cu2 N9 O8 -","- C36 H84 Cu8 N36 O32 -","4","0.5","","Moggach, Stephen A.; Galloway, Kyle W.; Lennie, Alistair R.; Parois, Pascal; Rowantree, Niall; Brechin, Euan K.; Warren, John E.; Murrie, Mark; Parsons, Simon","Polymerisation of a Cu(II) dimer into 1D chains using high pressure","CrystEngComm","2009","11","12","2601","","10.1039/b912707k","","","0.4767","Synchrotron","","0.0454","0.0305","","0.0446","0.0436","0.0446","","","","","","1.4785","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201459","15.4344","0.0018","12.3617","0.0006","8.7439","0.0004","90","","90","","90","","1668.3","0.2","293","","293","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C9 H21 Cu2 N9 O8 -","- C9 H21 Cu2 N9 O8 -","- C36 H84 Cu8 N36 O32 -","4","0.5","","Moggach, Stephen A.; Galloway, Kyle W.; Lennie, Alistair R.; Parois, Pascal; Rowantree, Niall; Brechin, Euan K.; Warren, John E.; Murrie, Mark; Parsons, Simon","Polymerisation of a Cu(II) dimer into 1D chains using high pressure","CrystEngComm","2009","11","12","2601","","10.1039/b912707k","","","0.4767","Synchrotron","","0.0453","0.0307","","0.0448","0.0438","0.0448","","","","","","1.5406","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201460","15.0833","0.0011","12.1396","0.0003","8.7075","0.0003","90","","90","","90","","1594.39","0.13","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H21 Cu2 N9 O8 -","- C9 H21 Cu2 N9 O8 -","- C36 H84 Cu8 N36 O32 -","4","1","","Moggach, Stephen A.; Galloway, Kyle W.; Lennie, Alistair R.; Parois, Pascal; Rowantree, Niall; Brechin, Euan K.; Warren, John E.; Murrie, Mark; Parsons, Simon","Polymerisation of a Cu(II) dimer into 1D chains using high pressure","CrystEngComm","2009","11","12","2601","","10.1039/b912707k","","","0.4767","Synchrotron","","0.0876","0.0751","","0.092","0.091","0.092","","","","","","1.0004","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7201461","16.3031","0.0013","11.9204","0.0005","17.133","0.0008","90","","114.469","0.005","90","","3030.6","0.3","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 Cu4 N18 O16 -","- C18 H42 Cu4 N18 O16 -","- C72 H168 Cu16 N72 O64 -","4","1","","Moggach, Stephen A.; Galloway, Kyle W.; Lennie, Alistair R.; Parois, Pascal; Rowantree, Niall; Brechin, Euan K.; Warren, John E.; Murrie, Mark; Parsons, Simon","Polymerisation of a Cu(II) dimer into 1D chains using high pressure","CrystEngComm","2009","11","12","2601","","10.1039/b912707k","","","0.4767","Synchrotron","","0.1113","0.0722","","0.0772","0.0735","0.0772","","","","","","0.9864","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201462","8.5563","0.0011","11.8407","0.0015","16.475","0.002","90","","98.639","0.002","90","","1650.2","0.4","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 S6 -","- C16 H8 S6 -","- C64 H32 S24 -","4","1","","Lu, Kun; Liu, Yunqi; Di, Chong-an; Du, Chunyan; Ye, Shanghui; Wu, Ti; Liu, Hongtao; Xu, Xudong; Yu, Gui","Unusual tubular organization with crystal stacks from a new cyclic thiophene compound,","CrystEngComm","2009","11","11","2288","","10.1039/b913254f","","","0.71073","MoKα","","0.0427","0.0294","","","0.0708","0.0783","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201464","28.665","0.003","5.402","0.007","10.882","0.006","90","","90","","90","","1685","2","293","2","293","2","","","","","","","","5","P m c n","-P 2n 2a","62","","","","- C14 H12 Ag N3 O9 -","- C14 H10 Ag N3 O9 -","- C56 H40 Ag4 N12 O36 -","4","0.5","","Braga, Dario; Grepioni, Fabrizia; André, Vânia; Duarte, M. Teresa","Drug-containing coordination and hydrogen bonding networks obtained mechanochemically","CrystEngComm","2009","11","12","2618","","10.1039/b913433f","","","0.71073","MoKα","","0.2363","0.0697","","","0.0714","0.0972","","","","","","0.864","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201465","7.58","0.005","7.627","0.005","17.111","0.005","92.062","0.005","97.578","0.005","118.434","0.005","856.7","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 Ag2 N6 O20 -","- C28 H20 Ag2 N6 O20 -","- C28 H20 Ag2 N6 O20 -","1","0.5","","Braga, Dario; Grepioni, Fabrizia; André, Vânia; Duarte, M. Teresa","Drug-containing coordination and hydrogen bonding networks obtained mechanochemically","CrystEngComm","2009","11","12","2618","","10.1039/b913433f","","","0.71073","MoKα","","0.3692","0.0569","","","0.0649","0.1149","","","","","","0.633","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201466","9.6316","0.0007","7.3983","0.0005","15.873","0.0014","90","","113.769","0.006","90","","1035.13","0.15","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H28 Cl2 N4 Ni O8 -","- C12 H28 Cl2 N4 Ni O8 -","- C24 H56 Cl4 N8 Ni2 O16 -","2","0.5","","Braga, Dario; Grepioni, Fabrizia; André, Vânia; Duarte, M. Teresa","Drug-containing coordination and hydrogen bonding networks obtained mechanochemically","CrystEngComm","2009","11","12","2618","","10.1039/b913433f","","","0.71073","MoKα","","0.1543","0.0695","","","0.1879","0.2429","","","","","","0.728","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7201468","16.7937","0.0006","37.6395","0.0014","16.0278","0.0006","90","","90","","90","","10131.3","0.6","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C30 H26 N2 O4 Zn -","- C30 H26 N2 O4 Zn -","- C480 H416 N32 O64 Zn16 -","16","1","","Guo, Huadong; Qiu, Dongfang; Guo, Xianmin; Batten, Stuart R.; Zhang, Hongjie","An unusual 3D polycatenane motif generated by the 2D →2D parallel →3D parallel interpenetration of (4,4) sheets","CrystEngComm","2009","11","12","2611","","10.1039/b913747e","","","0.71073","MoKα","","0.0422","0.0332","","","0.0719","0.0756","","","","","","0.981","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201469","6.985","0.0006","7.315","0.0006","16.94","0.0016","80.825","0.004","81.027","0.004","63.636","0.005","762.05","0.12","150","2","150","2","","","","","","","synthesis","6","P -1","-P 1","2","","","","- C11 H19 Cl2 O5 P Ru -","- C11 H19 Cl2 O5 P Ru -","- C22 H38 Cl4 O10 P2 Ru2 -","2","1","","Lastra-Barreira, Beatriz; Díez, Josefina; Crochet, Pascale","Highly water-soluble arene-ruthenium(ii) complexes: application to catalytic isomerization of allylic alcohols in aqueous medium","Green Chemistry","2009","11","10","1681","","10.1039/b914789f","","","0.71073","MoKα","","0.046","0.0364","","","0.0948","0.0991","","","","","","0.996","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201470","7.6034","0.0001","14.0769","0.0002","18.318","0.0003","90","","109.371","0.001","90","","1849.63","0.05","150","2","150","2","","","","","","","synthesis","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H25 Cl2 O5 P Ru -","- C14 H25 Cl2 O5 P Ru -","- C56 H100 Cl8 O20 P4 Ru4 -","4","1","","Lastra-Barreira, Beatriz; Díez, Josefina; Crochet, Pascale","Highly water-soluble arene-ruthenium(ii) complexes: application to catalytic isomerization of allylic alcohols in aqueous medium","Green Chemistry","2009","11","10","1681","","10.1039/b914789f","","","0.71073","MoKα","","0.0381","0.0308","","","0.0871","0.1175","","","","","","1.318","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201471","15.442","0.003","13.224","0.003","23.711","0.005","90","","107.445","0.002","90","","4619.2","1.7","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 Mn2 N6 O8 S5 -","- C48 H36 Mn2 N6 O8 S5 -","- C192 H144 Mn8 N24 O32 S20 -","4","0.5","","Ma, Lu-Fang; Wang, Li-Ya; Du, Miao","A novel 3D Mn(II) coordination polymer involving 4,4′-dipyridylsulfide and 4,4′-dipyridyltrisulfide obtained by in situ ligand formation from 4,4′-dipyridyldisulfide","CrystEngComm","2009","11","12","2593","","10.1039/b914827m","","","0.71073","MoKα","","0.0606","0.054","","","0.149","0.155","","","","","","1.055","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201477","8.133","0.0002","10.9315","0.0003","11.3491","0.0004","111.001","0.001","103.328","0.002","103.603","0.003","858.68","0.05","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C18 H16 F N O2 S2 -","- C18 H16 F N O2 S2 -","- C36 H32 F2 N2 O4 S4 -","2","1","","Cohen, Anita; Crozet, Maxime D.; Rathelot, Pascal; Vanelle, Patrice","An efficient aqueous microwave-assisted Suzuki‒Miyaura cross-coupling reaction in the thiazole series","Green Chemistry","2009","11","11","1736","","10.1039/b916123f","","x-ray","0.71073","MoKα","","0.1008","0.0772","","","0.2084","0.2201","","","","","","1.098","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201478","9.7404","0.0004","12.4073","0.0006","16.2808","0.0008","93.956","0.001","103.214","0.001","97.771","0.001","1887.68","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H32 N4 O9 Zn2 -","- C42 H32 N4 O9 Zn2 -","- C84 H64 N8 O18 Zn4 -","2","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Construction of hybrid d10 metal‒organic frameworks by flexible aromatic dicarboxylate and N-donor ligands : syntheses, structures and physical properties","CrystEngComm","2009","11","12","2784","","10.1039/b916280c","","","0.71073","MoKα","","0.053","0.0379","","","0.1001","0.1073","","","","","","1.086","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201479","12.2627","0.0001","12.2627","0.0001","43.0285","0.0009","90","","90","","120","","5603.5","0.13","293","2","293","2","","","","","","","","5","P 61","P 61","169","","","","- C42 H30 Cd2 N4 O8 -","- C42 H30 Cd2 N4 O8 -","- C252 H180 Cd12 N24 O48 -","6","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Construction of hybrid d10 metal‒organic frameworks by flexible aromatic dicarboxylate and N-donor ligands : syntheses, structures and physical properties","CrystEngComm","2009","11","12","2784","","10.1039/b916280c","","","0.71073","MoKα","","0.0498","0.0355","","","0.0516","0.0551","","","","","","1.04","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201480","11.9785","0.0008","12.6636","0.0008","13.6303","0.0009","72.639","0.001","86.584","0.001","70.36","0.001","1856.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H30 Cd N4 O8 Zn -","- C42 H30 Cd N4 O8 Zn -","- C84 H60 Cd2 N8 O16 Zn2 -","2","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Construction of hybrid d10 metal‒organic frameworks by flexible aromatic dicarboxylate and N-donor ligands : syntheses, structures and physical properties","CrystEngComm","2009","11","12","2784","","10.1039/b916280c","","","0.71073","MoKα","","0.05","0.0342","","","0.0714","0.0763","","","","","","1.054","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201481","5.9273","0.0012","26.321","0.005","17.508","0.004","90","","96.428","0.003","90","","2714.3","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cd N4 O8 S -","- C28 H26 Cd N4 O8 S -","- C112 H104 Cd4 N16 O32 S4 -","4","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Construction of hybrid d10 metal‒organic frameworks by flexible aromatic dicarboxylate and N-donor ligands : syntheses, structures and physical properties","CrystEngComm","2009","11","12","2784","","10.1039/b916280c","","","0.71073","MoKα","","0.0404","0.0291","","","0.057","0.0595","","","","","","1.049","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201482","6.1615","0.0005","16.4514","0.0013","15.1503","0.0012","90","","99.433","0.001","90","","1514.9","0.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C34 H26 Cd N4 O6 S -","- C34 H26 Cd N4 O6 S -","- C68 H52 Cd2 N8 O12 S2 -","2","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Construction of hybrid d10 metal‒organic frameworks by flexible aromatic dicarboxylate and N-donor ligands : syntheses, structures and physical properties","CrystEngComm","2009","11","12","2784","","10.1039/b916280c","","","0.71073","MoKα","","0.0299","0.0266","","","0.0634","0.0655","","","","","","1.004","","","","has coordinates,has disorder","180345","2020-10-21","18:00:00",""
"7201483","19.353","0.0014","9.9584","0.0007","21.0315","0.0015","90","","101.076","0.001","90","","3977.8","0.5","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 Cd N O8 S -","- C19 H16 Cd N O8 S -","- C152 H128 Cd8 N8 O64 S8 -","8","1","","Liu, Guang-Xiang; Zhu, Kun; Xu, Huan-Min; Nishihara, Sadafumi; Huang, Rong-Yi; Ren, Xiao-Ming","Construction of hybrid d10 metal‒organic frameworks by flexible aromatic dicarboxylate and N-donor ligands : syntheses, structures and physical properties","CrystEngComm","2009","11","12","2784","","10.1039/b916280c","","","0.71073","MoKα","","0.0238","0.0213","","","0.0538","0.0549","","","","","","1.046","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201484","7.6593","0.0007","12.5747","0.0011","20.4376","0.0018","90","","90","","90","","1968.4","0.3","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H31 F3 N2 O3 S -","- C15 H31 F3 N2 O3 S -","- C60 H124 F12 N8 O12 S4 -","4","1","","Lin, Jin-Hong; Zhang, Cheng-Pan; Xiao, Ji-Chang","Enantioselective aldol reaction of cyclic ketones with aryl aldehydes catalyzed by a cyclohexanediamine derived salt in the presence of water","Green Chemistry","2009","11","11","1750","","10.1039/b916583e","","","0.71073","MoKα","","0.0521","0.0451","","","0.1018","0.1048","","","","","","0.986","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7201486","24.3284","","24.3005","","10.0656","","90.0089","","89.9894","","119.734","","5167.23","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C72 H72 N48 Zn12 -","- C72 H72 N48 Zn12 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201487","33.4703","","33.4703","","33.4703","","60","","60","","60","","26513.3","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C288 H288 N192 Zn48 -","- C288 H288 N192 Zn48 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201488","24.4663","","24.3965","","24.5397","","79.9602","","110.673","","144.948","","7689.44","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C108 H108 N72 Zn18 -","- C108 H108 N72 Zn18 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201489","34.9595","","34.9595","","14.5821","","90","","90","","120","","15434.1","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C216 H216 N144 Zn36 -","- C216 H216 N144 Zn36 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201490","21.6837","","21.7123","","21.6859","","101.82","","101.84","","126.45","","7312.73","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C96 H96 N64 Zn16 -","- C96 H96 N64 Zn16 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201491","9.9949","","15.3976","","15.18","","89.9998","","98.5469","","90.0003","","2310.22","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C48 H48 N32 Zn8 -","- C48 H48 N32 Zn8 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201492","32.1539","","32.1539","","32.1539","","60","","60","","60","","23506.4","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C288 H288 N192 Zn48 -","- C288 H288 N192 Zn48 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201493","9.6719","","24.1597","","24.3574","","89.9981","","90.0017","","90.0142","","5691.6","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C96 H96 N64 Zn16 -","- C96 H96 N64 Zn16 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201494","18.9633","","18.9628","","16.7727","","89.9997","","90","","89.9996","","6031.42","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C96 H96 N64 Zn16 -","- C96 H96 N64 Zn16 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201495","15.4231","","15.4042","","18.4379","","90.0004","","90.0018","","90.0007","","4380.49","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C96 H96 N64 Zn16 -","- C96 H96 N64 Zn16 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201496","16.8046","","16.7764","","16.8139","","112.854","","112.824","","103.417","","3594.27","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C48 H48 N32 Zn8 -","- C48 H48 N32 Zn8 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201497","14.2311","","14.3093","","14.2833","","107.216","","106.405","","107.155","","2427.12","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C36 H36 N24 Zn6 -","- C36 H36 N24 Zn6 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201498","14.7363","","14.7801","","14.764","","109.61","","109.469","","109.356","","2474.73","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C36 H36 N24 Zn6 -","- C36 H36 N24 Zn6 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201499","22.9134","","22.9102","","15.882","","90.1202","","90.0148","","119.949","","7223.99","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C108 H108 N72 Zn18 -","- C108 H108 N72 Zn18 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180345","2020-10-21","18:00:00",""
"7201500","17.9844","","17.9841","","18.0545","","97.2362","","97.2326","","138.559","","3611.7","","","","","","","","","","","","","4","P 1","P 1","1","","","","?","- C96 H96 N64 Zn16 -","- C96 H96 N64 Zn16 -","","","","Fu, Xiao-Fei; Yue, Yan-Feng; Guo, Rui; Li, Le-Le; Sun, Wei; Fang, Chen-Jie; Xu, Chun-Hu; Yan, Chun-Hua","An enhanced fluorescence in a tunable face-to-face π⋯π stacking assembly directed by the H-bonding","CrystEngComm","2009","11","11","2268","","10.1039/b910263a","","","","","","","","","","","","","","","","","","","","","has coordinates","180346","2020-10-21","18:00:00",""
"7203980","5.2475","0.0009","13.795","0.002","11.689","0.002","90","","90","","90","","846.2","0.2","298","2","298","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- Co F Na2 O4 P -","- Co F Na2 O4 P -","- Co8 F8 Na16 O32 P8 -","8","1","","Sanz, Francisca; Parada, Carmen; Ruíz-Valero, Caridad","Crystal growth, crystal structure and magnetic properties of disodium cobalt fluorophosphate","Journal of Materials Chemistry","2001","11","1","208","","10.1039/b003150j","","","0.71073","MoKα","","0.1122","0.0632","","0.2624","0.1824","","","","1.061","0.923","0.923","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7203983","13.795","0.003","12.83","0.003","18.815","0.005","90","","89.959","0.007","90","","3330.1","1.4","150","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C1.05 Al N0.35 O4 P -","- C1.05 Al N0.35 O4 P -","- C25.2 Al24 N8.4 O96 P24 -","24","3","","Maple, Martin J.; Philp, Eilidh F.; Slawin, Alexandra M. Z.; Lightfoot, Philip; Cox, Paul A.; Wright, Paul A.","Azamacrocycles and the azaoxacryptand 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane as structure-directing agents in the synthesis of microporous metalloaluminophosphates","Journal of Materials Chemistry","2001","11","1","98","104","10.1039/b003430o","","","0.6942","MonochromatedX-raysynchrotronradiation","","","0.0837","","","0.1056","","","","","3.344","3.344","","","","","has coordinates,has disorder","277935","2022-09-17","00:24:27",""
"7203984","14.978","0.0008","14.72","0.0008","8.4792","0.0005","90","","98.323","0.001","90","","1849.77","0.18","293","2","293","2","","","","","","","-","7","P 1 21/c 1","-P 2ybc","14","","","","- C10 H25 Al Co N4 O8 P2 -","- C10 H25 Al Co N4 O8 P2 -","- C40 H100 Al4 Co4 N16 O32 P8 -","4","1","","Maple, Martin J.; Philp, Eilidh F.; Slawin, Alexandra M. Z.; Lightfoot, Philip; Cox, Paul A.; Wright, Paul A.","Azamacrocycles and the azaoxacryptand 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane as structure-directing agents in the synthesis of microporous metalloaluminophosphates","Journal of Materials Chemistry","2001","11","1","98","104","10.1039/b003430o","","","0.71073","MoKα","","0.0435","0.0285","","0.0818","0.0643","","","","0.984","1.042","1.042","","","","","has coordinates","277932","2022-09-16","23:04:30",""
"7203985","23.99","0.008","23.99","0.008","23.99","0.008","90","","90","","90","","13807","8","150","","150","","","","","","","","","6","F m -3 c","-F 4a 2 3","226","","","","- C1.5 Al0.8 N0.17 O4.5 P Zn0.2 -","- C2.66983 Al0.8 N0.332 O4.996 P Zn0.2 -","- C256.304 Al76.8 N31.872 O479.616 P96 Zn19.2 -","96","0.5","","Maple, Martin J.; Philp, Eilidh F.; Slawin, Alexandra M. Z.; Lightfoot, Philip; Cox, Paul A.; Wright, Paul A.","Azamacrocycles and the azaoxacryptand 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane as structure-directing agents in the synthesis of microporous metalloaluminophosphates","Journal of Materials Chemistry","2001","11","1","98","104","10.1039/b003430o","","","0.6942","MonochromatedsynchrotronX-rays","","","0.1233","","","0.1329","","","","","8.098","8.098","","","","","has coordinates,has disorder","277936","2022-09-17","11:45:58",""
"7204011","14.6581","0.0001","14.5933","0.0002","21.7985","0.0001","90","","100.32","0.001","90","","4587.48","0.07","120","1","120","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H62 O10 V -","- C50 H62 O10 V -","- C200 H248 O40 V4 -","4","1","","Lin, Raymond; Tsai, Chun-Hsien; Chao, Man-Qian; Lai, Chung K.","Columnar metallomesogens: vanadyl complexes derived from β,δ-triketones","Journal of Materials Chemistry","2001","11","2","359","","10.1039/b005759m","","","0.71073","MoKα","","0.1308","0.0693","","0.1589","0.1377","","","","1.041","1.181","1.181","","","","","has coordinates","180371","2020-10-21","18:00:00",""
"7204012","7.991","0.002","26.326","0.005","6.588","0.0013","90","","90","","90","","1385.9","0.5","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H19 N3 O2 -","- C15 H19 N3 O2 -","- C60 H76 N12 O8 -","4","1","","Antipin, Mikhail Yu.; Timofeeva, Tatiana V.; Clark, Ronald D.; Nesterov, Vladimir N.; Dolgushin, Fedor M.; Wu, Javier; Leyderman, Alex","Crystal structures and molecular mechanics calculation of nonlinear optical compounds: 2-cyclooctylamino-5-nitropyridine (COANP) and 2-adamantylamino-5-nitropyridine (AANP). New polymorphic modification of AANP and electro-optical effects","Journal of Materials Chemistry","2001","11","2","351","","10.1039/b005822j","","","0.71073","MoKα","","0.3264","0.0659","","0.231","0.0701","","","","0.863","1.36","1.36","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204013","28.31","0.01","6.612","0.002","7.474","0.002","90","","90","","90","","1399","0.8","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H19 N3 O2 -","- C15 H19 N3 O2 -","- C60 H76 N12 O8 -","4","1","","Antipin, Mikhail Yu.; Timofeeva, Tatiana V.; Clark, Ronald D.; Nesterov, Vladimir N.; Dolgushin, Fedor M.; Wu, Javier; Leyderman, Alex","Crystal structures and molecular mechanics calculation of nonlinear optical compounds: 2-cyclooctylamino-5-nitropyridine (COANP) and 2-adamantylamino-5-nitropyridine (AANP). New polymorphic modification of AANP and electro-optical effects","Journal of Materials Chemistry","2001","11","2","351","","10.1039/b005822j","","","0.71073","MoKα","","0.2874","0.0719","","0.4079","0.1218","","","","1.008","1.247","1.247","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204014","26.099","0.005","6.637","0.002","7.555","0.002","90","","90","","90","","1308.7","0.6","167","2","167","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H19 N3 O2 -","- C13 H19 N3 O2 -","- C52 H76 N12 O8 -","4","1","","Antipin, Mikhail Yu.; Timofeeva, Tatiana V.; Clark, Ronald D.; Nesterov, Vladimir N.; Dolgushin, Fedor M.; Wu, Javier; Leyderman, Alex","Crystal structures and molecular mechanics calculation of nonlinear optical compounds: 2-cyclooctylamino-5-nitropyridine (COANP) and 2-adamantylamino-5-nitropyridine (AANP). New polymorphic modification of AANP and electro-optical effects","Journal of Materials Chemistry","2001","11","2","351","","10.1039/b005822j","","","0.71073","MoKα","","0.1519","0.0592","","0.1637","0.1082","","","","1.021","1.205","1.205","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204015","26.285","0.005","6.647","0.001","7.631","0.002","90","","90","","90","","1333.3","0.5","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C13 H19 N3 O2 -","- C13 H19 N3 O2 -","- C52 H76 N12 O8 -","4","1","","Antipin, Mikhail Yu.; Timofeeva, Tatiana V.; Clark, Ronald D.; Nesterov, Vladimir N.; Dolgushin, Fedor M.; Wu, Javier; Leyderman, Alex","Crystal structures and molecular mechanics calculation of nonlinear optical compounds: 2-cyclooctylamino-5-nitropyridine (COANP) and 2-adamantylamino-5-nitropyridine (AANP). New polymorphic modification of AANP and electro-optical effects","Journal of Materials Chemistry","2001","11","2","351","","10.1039/b005822j","","","0.71073","MoKα","","0.1729","0.0736","","0.2592","0.1673","","","","1.068","1.238","1.238","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204016","28.158","0.006","6.584","0.002","7.395","0.001","90","","90","","90","","1371","0.5","163","2","163","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H19 N3 O2 -","- C15 H19 N3 O2 -","- C60 H76 N12 O8 -","4","1","","Antipin, Mikhail Yu.; Timofeeva, Tatiana V.; Clark, Ronald D.; Nesterov, Vladimir N.; Dolgushin, Fedor M.; Wu, Javier; Leyderman, Alex","Crystal structures and molecular mechanics calculation of nonlinear optical compounds: 2-cyclooctylamino-5-nitropyridine (COANP) and 2-adamantylamino-5-nitropyridine (AANP). New polymorphic modification of AANP and electro-optical effects","Journal of Materials Chemistry","2001","11","2","351","","10.1039/b005822j","","","0.71073","MoKα","","0.1084","0.0513","","0.1535","0.1184","","","","1.022","1.073","1.073","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204017","4.9697","0.0006","16.1192","0.0011","10.6277","0.0017","90","","90","","90","","851.36","0.18","150","2","150","2","","","","","","","","4","P b c m","-P 2c 2b","57","","Yttrium silicon nitride oxide","","- N9 O Si5 Y3 -","- N9 O Si5 Y3 -","- N36 O4 Si20 Y12 -","4","0.5","","Liddell, Katharine; Thompson, Derek P.","The crystal structure of Y3Si5N9O and revision of the compositions of some high nitrogen-containing M‒Si‒O‒N (M = Y, La) phases","Journal of Materials Chemistry","2001","11","2","507","","10.1039/b006053o","","","0.6929","MoKα","","0.0331","0.0307","","","0.074","0.0748","","","","","","1.206","","","","has coordinates","180371","2020-10-21","18:00:00",""
"7204018","7.877","0.004","14.141","0.002","14.541","0.002","90","","100.35","0.02","90","","1593.3","0.9","293.2","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 S9 -","- C11 H6 S9 -","- C44 H24 S36 -","4","1","","Iwamatsu, Masaki; Kominami, Tsuyoshi; Ueda, Kazumasa; Sugimoto, Toyonari; Tada, Toshiji; Nishimura, Kei-ichiro; Adachi, Tomohiro; Fujita, Hideo; Guo, Fangzhun; Yokogawa, Shoichi; Yoshino, Harukazu; Murata, Keizo; Shiro, Motoo","Crystal structures, and electrical conduction and magnetic properties in CuCl4 salts of dimethylthio- and ethylenedithio-tetrathiafulvalenothioquinone-1,3-dithiolemethides","Journal of Materials Chemistry","2001","11","2","385","","10.1039/b006173p","","","0.7107","MoKα","","","0.0422","","","","0.0976","","","","","","1.09","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204019","9.517","0.004","14.076","0.006","7.789","0.002","94.11","0.03","109.37","0.03","70.69","0.03","928.1","0.7","293.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Cl2 Cu0.5 S9 -","- C11 H8 Cl2 Cu0.5 S9 -","- C22 H16 Cl4 Cu S18 -","2","1","","Iwamatsu, Masaki; Kominami, Tsuyoshi; Ueda, Kazumasa; Sugimoto, Toyonari; Tada, Toshiji; Nishimura, Kei-ichiro; Adachi, Tomohiro; Fujita, Hideo; Guo, Fangzhun; Yokogawa, Shoichi; Yoshino, Harukazu; Murata, Keizo; Shiro, Motoo","Crystal structures, and electrical conduction and magnetic properties in CuCl4 salts of dimethylthio- and ethylenedithio-tetrathiafulvalenothioquinone-1,3-dithiolemethides","Journal of Materials Chemistry","2001","11","2","385","","10.1039/b006173p","","","0.7107","MoKα","","","0.0709","","","","0.1321","","","","","","1.533","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204020","33.738","0.001","10.6239","0.0003","16.3825","0.0006","90","","95.552","0.001","90","","5844.4","0.3","200.2","","203.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H18 Cl4 Cu S31 -","- C35 H18 Cl4 Cu S31 -","- C140 H72 Cl16 Cu4 S124 -","4","0.5","","Iwamatsu, Masaki; Kominami, Tsuyoshi; Ueda, Kazumasa; Sugimoto, Toyonari; Tada, Toshiji; Nishimura, Kei-ichiro; Adachi, Tomohiro; Fujita, Hideo; Guo, Fangzhun; Yokogawa, Shoichi; Yoshino, Harukazu; Murata, Keizo; Shiro, Motoo","Crystal structures, and electrical conduction and magnetic properties in CuCl4 salts of dimethylthio- and ethylenedithio-tetrathiafulvalenothioquinone-1,3-dithiolemethides","Journal of Materials Chemistry","2001","11","2","385","","10.1039/b006173p","","","0.7107","MoKα","","0.0755","0.0642","","0.1698","","0.151","","","1.0572","","","1.0572","","","","has coordinates","180371","2020-10-21","18:00:00",""
"7204021","33.708","0.002","10.574","0.0004","16.401","0.0008","90","","95.609","0.002","90","","5817.8","0.5","120.2","","120.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H18 Cl4 Cu S31 -","- C35 H18 Cl4 Cu S31 -","- C140 H72 Cl16 Cu4 S124 -","4","0.5","","Iwamatsu, Masaki; Kominami, Tsuyoshi; Ueda, Kazumasa; Sugimoto, Toyonari; Tada, Toshiji; Nishimura, Kei-ichiro; Adachi, Tomohiro; Fujita, Hideo; Guo, Fangzhun; Yokogawa, Shoichi; Yoshino, Harukazu; Murata, Keizo; Shiro, Motoo","Crystal structures, and electrical conduction and magnetic properties in CuCl4 salts of dimethylthio- and ethylenedithio-tetrathiafulvalenothioquinone-1,3-dithiolemethides","Journal of Materials Chemistry","2001","11","2","385","","10.1039/b006173p","","","0.7107","MoKα","","0.1174","0.0742","","0.1898","","0.1781","","","1.3071","","","1.3071","","","","has coordinates","180371","2020-10-21","18:00:00",""
"7204022","33.851","0.004","10.79","0.01","16.474","0.003","90","","95.38","0.01","90","","5991","6","293.2","","293.2","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H18 Cl4 Cu S31 -","- C35 H18 Cl4 Cu S31 -","- C140 H72 Cl16 Cu4 S124 -","4","0.5","","Iwamatsu, Masaki; Kominami, Tsuyoshi; Ueda, Kazumasa; Sugimoto, Toyonari; Tada, Toshiji; Nishimura, Kei-ichiro; Adachi, Tomohiro; Fujita, Hideo; Guo, Fangzhun; Yokogawa, Shoichi; Yoshino, Harukazu; Murata, Keizo; Shiro, Motoo","Crystal structures, and electrical conduction and magnetic properties in CuCl4 salts of dimethylthio- and ethylenedithio-tetrathiafulvalenothioquinone-1,3-dithiolemethides","Journal of Materials Chemistry","2001","11","2","385","","10.1039/b006173p","","","0.7107","MoKα","","0.2339","0.0936","","0.2313","","0.2313","","","1.186","","","1.186","","","","has coordinates","180371","2020-10-21","18:00:00",""
"7204024","11.666","0.003","19.62","0.004","9.523","0.002","96.38","0.04","112.72","0.02","89.35","0.03","1996.9","0.9","293","2","293","2","","","","","","","Local laboratory","5","P 1","P 1","1","","","","- C62 H48 N8 O2 S32 -","- C64 H24 N8 S32 -","- C64 H24 N8 S32 -","1","1","","Saito, Gunzi; Sekizaki, Shuichi; Konsha, Akihiko; Yamochi, Hideki; Matsumoto, Kiyoshi; Kusunoki, Masami; Sakaguchi, Ken-ichi","A stable and flexible dianion: 2­dicyanomethylene­1,1,3,4,5,5­hexacyanopentenediide (DHCP2−), and its complex formation","Journal of Materials Chemistry","2001","11","2","364","","10.1039/b006426m","","","0.71069","MoKα","","0.1314","0.0521","","1.2934","0.1301","","","","1.084","1.157","1.157","","","","","has coordinates","180371","2020-10-21","18:00:00",""
"7204025","15.365","0.007","21.369","0.009","12.961","0.005","99.92","0.03","105.22","0.05","77.02","0.05","3972","3","293","2","293","2","","","","","","","Local laboratory","5","P -1","-P 1","2","","","","- C62 H48 N8 O2 S32 -","- C64 H32 N8 S32 -","- C128 H64 N16 S64 -","2","1","","Saito, Gunzi; Sekizaki, Shuichi; Konsha, Akihiko; Yamochi, Hideki; Matsumoto, Kiyoshi; Kusunoki, Masami; Sakaguchi, Ken-ichi","A stable and flexible dianion: 2­dicyanomethylene­1,1,3,4,5,5­hexacyanopentenediide (DHCP2−), and its complex formation","Journal of Materials Chemistry","2001","11","2","364","","10.1039/b006426m","","","0.71073","MoKα","","0.1423","0.0603","","1.187","0.1764","","","","1.082","1.195","1.195","","","","","has coordinates,has disorder","180371","2020-10-21","18:00:00",""
"7204026","10.851","0.004","14.492","0.005","19.113","0.007","97.43","0.03","96.38","0.04","102.84","0.03","2875.2","1.9","203","2","203","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H98 O14 Sr Ta2 -","- C42 H98 O14 Sr Ta2 -","- C84 H196 O28 Sr2 Ta4 -","2","1","","Jones, Anthony C.; Davies, Hywel O.; Leedham, Timothy J.; Wright, Peter J.; Crosbie, Michael J.; Steiner, Alexander; Bickley, Jamie F.; O'Brien, Paul; White, Andrew J. P.; Williams, David J.","Crystal structure of a strontium‒tantalum and a magnesium‒niobium heterometal alkoxide: precursors for the MOCVD of ferroelectric oxides","Journal of Materials Chemistry","2001","11","2","544","","10.1039/b006529n","","","0.71073","MoKα","","0.0787","0.0473","","0.113","0.0983","","","","1.027","1.091","1.091","","","","","has coordinates,has disorder","180371","2020-10-21","18:00:00",""
"7204027","8.956","0.003","11.37","0.003","11.63","0.005","95.79","0.04","110.06","0.04","94.27","0.04","1099.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H72 Mg Nb2 O14 -","- C28 H72 Mg Nb2 O14 -","- C28 H72 Mg Nb2 O14 -","1","0.5","","Jones, Anthony C.; Davies, Hywel O.; Leedham, Timothy J.; Wright, Peter J.; Crosbie, Michael J.; Steiner, Alexander; Bickley, Jamie F.; O'Brien, Paul; White, Andrew J. P.; Williams, David J.","Crystal structure of a strontium‒tantalum and a magnesium‒niobium heterometal alkoxide: precursors for the MOCVD of ferroelectric oxides","Journal of Materials Chemistry","2001","11","2","544","","10.1039/b006529n","","","0.71073","MoKα","","0.0557","0.0478","","","0.1313","0.1366","","","","","","1.053","","","","has coordinates,has disorder","180371","2020-10-21","18:00:00",""
"7204030","13.167","0.002","13.969","0.006","14.443","0.003","90","","90","","90","","2656.5","1.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O2 S2 -","- C13 H16 N O2 S2 -","- C104 H128 N8 O16 S16 -","8","2","","Blake, Alexander J.; Bruce, Duncan W.; Danks, Jonathan P.; Fallis, Ian A.; Guillon, Daniel; Ross, Steven A.; Richtzenhain, Heiko; Schröder, Martin","Formation of columnar hexagonal mesophases near room temperature from functionalised [9]aneNS2 (1,4-dithia-7-azacyclononane)","Journal of Materials Chemistry","2001","11","4","1011","","10.1039/b006753i","","","0.71073","MoKα","","0.075","0.0574","","0.187","0.1545","","","","1.066","0.951","0.951","","","","","has coordinates","180371","2020-10-21","18:00:00",""
"7204034","11.482","0.006","8.33","0.003","35.04","0.01","90","","94.87","0.04","90","","3339","2","50","","50","","","","","","","","","5","A 1 2/a 1","-A 2ya","15","","","","- C12 H8 N1.5 S4 Se4 -","- C12 H8 N1.5 S4 Se4 -","- C96 H64 N12 S32 Se32 -","8","1","","Narymbetov, Bakhyt Zh.; Canadell, Enric; Togonidze, Tamaz; Khasanov, Salavat S.; Zorina, Leokadiya V.; Shibaeva, Rimma P.; Kobayashi, Hayao","First-order phase transition in the organic metal κ-(BETS)2C(CN)3","Journal of Materials Chemistry","2001","11","2","332","","10.1039/b007174i","","","0.71069","MoKα","","","0.082","","","0.092","","","","","2.69","2.69","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204035","11.806","0.004","25.33","0.005","7.337","0.007","89","","104.65","0.04","89","","2122","2","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,4-bis(1-oxyl-3-oxide-4,4,5,5-tetramethyl-2-imidazolin-2-yl) phenol","","- C20 H27 N4 O5 -","- C20 H26.75 N4 O5 -","- C80 H107 N16 O20 -","4","1","","Hase, Syuichiro; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji","Phenol-substituted nitronyl nitroxide biradicals with a triplet (S = 1) ground state","Journal of Materials Chemistry","2001","11","3","756","","10.1039/b007316o","","","1.5418","CuKα","","","0.0617","","","","0.1917","","","","","","4.844","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204036","20.206","0.004","40.405","0.004","11.888","0.003","90","","90","","90","","9706","3","296.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-methyl-2,6-bis(1-oxyl-3-oxide-4,4,5,5-tetramethyl-2-imidazolin-2-yl) phenol","","- C45 H66 N8 O11 -","- C46 H58 N8 O10 -","- C368 H464 N64 O80 -","8","1","","Hase, Syuichiro; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji","Phenol-substituted nitronyl nitroxide biradicals with a triplet (S = 1) ground state","Journal of Materials Chemistry","2001","11","3","756","","10.1039/b007316o","","","1.5418","CuKα","","","0.0587","","","","0.1428","","","","","","1.816","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204037","9.349","0.002","12.953","0.002","9.294","0.002","105.866","0.014","98.569","0.015","107.584","0.015","998.6","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","1,3,6,8-tetrakis(dimethylamino)pyrene","1,3,6,8-tetrakis(dimethylamino)pyrene","","- C24 H30 N4 -","- C24 H30 N4 -","- C48 H60 N8 -","2","1","","Saito, Gunzi; Hirate, Seiji; Nishimura, Kazukuni; Yamochi, Hideki","Nature of the strong electron donor 1,3,6,8-tetrakis(dimethylamino)pyrene and ionicity of its charge transfer complexes","Journal of Materials Chemistry","2001","11","3","723","","10.1039/b007319i","","","0.71073","MoKα","","0.1445","0.1112","","","0.2986","0.3143","","","","","","1.935","","","","has coordinates","180371","2020-10-21","18:00:00",""
"7204038","5.0629","0.0003","11.77","0.002","11.551","0.001","90","","91.039","0.006","90","","688.21","0.14","293","","293","","","","","","","","Solid state synthezis","4","P 1 21/n 1","-P 2yn","14","","Potassium tungsten(V) diphosphate","","- K O8 P2 W -","- K O8 P2 W -","- K4 O32 P8 W4 -","4","1","","Leclaire, A.; Chardon, J.; Raveau, B.","Stabilization of the tungstyl ion configuration: the W(v) diphosphate KWOP2O7","Journal of Materials Chemistry","2001","11","3","846","","10.1039/b007592m","","","0.71073","xray_tube","","","0.0357","","","","0.0356","","","","","","1.811","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204039","8.7318","0.0007","9.5299","0.0008","19.3682","0.0016","90","","99.891","0.001","90","","1587.7","0.2","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 I4 N4 Pb -","- C6 H8 I4 N4 Pb -","- C24 H32 I16 N16 Pb4 -","4","0.5","","Tang, Zhongjia; Guan, Jun; Guloy, Arnold M.","Synthesis and crystal structure of new organic-based layered perovskites with 2,2'-biimidazolium cations","Journal of Materials Chemistry","2001","11","2","479","","10.1039/b007639m","","","0.71073","MoKα","","0.0257","0.0243","","","0.0686","0.0702","","","","","","1.169","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204040","8.7238","0.0008","9.5695","0.0009","19.288","0.002","90","","100.18","0.002","90","","1584.9","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 I4 N4 Sn -","- C6 H6 I4 N4 Sn -","- C24 H24 I16 N16 Sn4 -","4","0.5","","Tang, Zhongjia; Guan, Jun; Guloy, Arnold M.","Synthesis and crystal structure of new organic-based layered perovskites with 2,2'-biimidazolium cations","Journal of Materials Chemistry","2001","11","2","479","","10.1039/b007639m","","","0.71073","MoKα","","0.0261","0.0231","","0.0555","0.0543","","","","1.047","1.064","1.064","","","","","has coordinates","180371","2020-10-21","18:00:00",""
"7204041","6.39","0.0003","9.694","0.0004","7.287","0.0003","90","","90","","90","","451.39","0.03","293","2","293","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","","","- Bi Br Cu3 O8 Se2 -","- Bi Br Cu3 O8 Se2 -","- Bi2 Br2 Cu6 O16 Se4 -","2","0.25","","Millet, P.; Bastide, B.; Pashchenko, V.; Gnatchenko, S.; Gapon, V.; Ksari, Y.; Stepanov, A.","Syntheses, crystal structures and magnetic properties of francisite compounds Cu3Bi(SeO3)2O2X (X = Cl, Br and I)","Journal of Materials Chemistry","2001","11","4","1152","","10.1039/b007920k","","","0.5623","","","0.0358","0.0313","","0.082","0.0791","","","","1.083","1.07","1.07","","","","","has coordinates","180371","2020-10-21","18:00:00",""
"7204044","7.761","0.006","10.257","0.007","11.119","0.008","73.408","0.012","80.744","0.012","70.24","0.014","796.3","1","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 N2 O4 -","- C19 H18 N2 O4 -","- C38 H36 N4 O8 -","2","1","","Kay, A. J.; Woolhouse, A. D.; Gainsford, G. J.; Haskell, T. G.; Barnes, T. H.; McKinnie, I. T.; Wyss, C. P.","A simple, novel method for the preparation of polymer-tetherable, zwitterionic merocyanine NLO-chromophores","Journal of Materials Chemistry","2001","11","4","996","","10.1039/b008316j","","","0.71073","MoKα","","0.2327","0.072","","","0.1325","0.1719","","","0.793","","","1.217","","","","has coordinates,has disorder","295878","2024-11-12","07:52:47",""
"7204045","14.437","0.004","13.763","0.004","17.278","0.004","90","","112.45","0.02","90","","3172.9","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","trimethylammonio-tempo iodide","N,N,N-trimethyl-(1-oxyl-2,2,6,6-tetramethylpiperidin-4-yl)ammonium iodide","","- C12 H26 I N2 O -","- C12 H26 I N2 O -","- C96 H208 I8 N16 O8 -","8","2","","Aonuma, Shuji; Casellas, Helene; Faulmann, Christophe; Garreau de Bonneval, Benedicte; Malfant, Isabelle; Cassoux, Patrick; Lacroix, Pascal G.; Hosokoshi, Yuko; Inoue, Katsuya","Structure and properties of novel M(dmit)2 salts with the Me3N+­TEMPO cation radical (Me3N+­TEMPO = N,N,N­trimethyl(1­oxyl­2,2,6,6­tetramethylpiperidin­4­yl)ammonium)","Journal of Materials Chemistry","2001","11","2","337","","10.1039/b008424g","","","0.71069","MoKα","","0.2193","0.0327","","","0.0785","0.1191","","","","","","0.92","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204046","11.4","0.001","10.852","0.001","13.354","0.0017","90","","90","","90","","1652.1","0.3","160","2","160","2","","","","","","","","6","P n m a","-P 2ac 2n","62","trimethylammonio-tempo hexafluorophosphate","N,N,N-trimethyl-(1-oxyl-2,2,6,6-tetramethylpiperidin-4-yl)ammonium hexafluorophosphate","","- C12 H26 F6 N2 O P -","- C12 H26 F6 N2 O P -","- C48 H104 F24 N8 O4 P4 -","4","0.5","","Aonuma, Shuji; Casellas, Helene; Faulmann, Christophe; Garreau de Bonneval, Benedicte; Malfant, Isabelle; Cassoux, Patrick; Lacroix, Pascal G.; Hosokoshi, Yuko; Inoue, Katsuya","Structure and properties of novel M(dmit)2 salts with the Me3N+­TEMPO cation radical (Me3N+­TEMPO = N,N,N­trimethyl(1­oxyl­2,2,6,6­tetramethylpiperidin­4­yl)ammonium)","Journal of Materials Chemistry","2001","11","2","337","","10.1039/b008424g","","","0.71073","MoKα","","0.0519","0.0453","","","0.113","0.117","","","","","","1.072","","","","has coordinates,has disorder","180371","2020-10-21","18:00:00",""
"7204047","14.5213","0.0017","15.982","0.003","18.15","0.005","90","","90","","90","","4212.2","1.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","bis(Me3N-Tempo)Ni(dmit)2","bis[(N,N,N-trimethyl-(1-oxyl-2,2,6,6-tetramethylpiperidin-4-yl)ammonium] bis(2-thioxo-1,3-dithiole-4,5-dithiolato-S4,S5)nickelate(II)","","- C30 H52 N4 Ni O2 S10 -","- C30 H52 N4 Ni O2 S10 -","- C120 H208 N16 Ni4 O8 S40 -","4","0.5","","Aonuma, Shuji; Casellas, Helene; Faulmann, Christophe; Garreau de Bonneval, Benedicte; Malfant, Isabelle; Cassoux, Patrick; Lacroix, Pascal G.; Hosokoshi, Yuko; Inoue, Katsuya","Structure and properties of novel M(dmit)2 salts with the Me3N+­TEMPO cation radical (Me3N+­TEMPO = N,N,N­trimethyl(1­oxyl­2,2,6,6­tetramethylpiperidin­4­yl)ammonium)","Journal of Materials Chemistry","2001","11","2","337","","10.1039/b008424g","","","0.71069","MoKα","","0.0633","0.0271","","","0.0525","0.0609","","","","","","1.023","","","","has coordinates","180371","2020-10-21","18:00:00",""
"7204048","14.646","0.003","16.012","0.004","18.126","0.005","90","","90","","90","","4250.8","1.8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","bis(Me3N-Tempo)Pd(dmit)2","bis[(N,N,N-trimethyl-(1-oxyl-2,2,6,6-tetramethylpiperidin-4-yl)ammonium] bis(2-thioxo-1,3-dithiole-4,5-dithiolato-S4,S5)palladate(II)","","- C30 H52 N4 O2 Pd S10 -","- C30 H52 N4 O2 Pd S10 -","- C120 H208 N16 O8 Pd4 S40 -","4","0.5","","Aonuma, Shuji; Casellas, Helene; Faulmann, Christophe; Garreau de Bonneval, Benedicte; Malfant, Isabelle; Cassoux, Patrick; Lacroix, Pascal G.; Hosokoshi, Yuko; Inoue, Katsuya","Structure and properties of novel M(dmit)2 salts with the Me3N+­TEMPO cation radical (Me3N+­TEMPO = N,N,N­trimethyl(1­oxyl­2,2,6,6­tetramethylpiperidin­4­yl)ammonium)","Journal of Materials Chemistry","2001","11","2","337","","10.1039/b008424g","","","0.71073","MoKα","","0.1712","0.0401","","","0.1048","0.1445","","","","","","0.968","","","","has coordinates","180371","2020-10-21","18:00:00",""
"7204049","8.3716","0.0011","11.998","0.0019","28.592","0.004","90","","91.251","0.016","90","","2871.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Me3N-Tempo)Ni(dmit)2","[(N,N,N-trimethyl-(1-oxyl-2,2,6,6-tetramethylpiperidin-4-yl)ammonium] bis(2-thioxo-1,3-dithiole-4,5-dithiolato-S4,S5)nickelate(III)","","- C18 H26 N2 Ni O S10 -","- C18 H26 N2 Ni O S10 -","- C72 H104 N8 Ni4 O4 S40 -","4","1","","Aonuma, Shuji; Casellas, Helene; Faulmann, Christophe; Garreau de Bonneval, Benedicte; Malfant, Isabelle; Cassoux, Patrick; Lacroix, Pascal G.; Hosokoshi, Yuko; Inoue, Katsuya","Structure and properties of novel M(dmit)2 salts with the Me3N+­TEMPO cation radical (Me3N+­TEMPO = N,N,N­trimethyl(1­oxyl­2,2,6,6­tetramethylpiperidin­4­yl)ammonium)","Journal of Materials Chemistry","2001","11","2","337","","10.1039/b008424g","","","0.71073","MoKα","","0.3304","0.0715","","","0.1551","0.2509","","","","","","0.716","","","","has coordinates","180371","2020-10-21","18:00:00",""
"7204050","13.8327","0.0004","13.8327","0.0004","13.8327","0.0004","90","","90","","90","","2646.8","0.13","293","2","293","2","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- Cl15 Lu3 Nb6 O6 Pb -","- Cl15 Lu3 Nb6 O6 Pb0.956 -","- Cl60 Lu12 Nb24 O24 Pb3.824 -","4","0.166667","","Gulo, Fakhili; Roisnel, Thierry; Perrin, Christiane","The crystal structure of PbLu3Nb6Cl15O6, a new oxychloride based on discrete Nb6Cl12O6 units","Journal of Materials Chemistry","2001","11","4","1237","","10.1039/b008609f","","","0.71073","MoKα","","0.0383","0.0316","","","0.0699","0.0726","","","","","","1.097","","","","has coordinates","180371","2020-10-21","18:00:00",""
"7204051","9.2233","0.0005","11.5932","0.0006","17.8088","0.0009","93.863","0.001","94.543","0.001","103.071","0.001","1841.94","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","Bis(ethylenedithio)tetrathiafulvalenium 1-pentafluorothio-1,2,2-trifluoro-ethylsulfonate (2:1)","","- C22 H17 F8 O3 S18 -","- C21.996 H17 F7.988 O2.996 S18 -","- C43.992 H34 F15.976 O5.992 S36 -","2","1","","John A. Schlueter; Brian H. Ward; Urs Geiser; Hau H. Wang; Aravinda M. Kini; James Parakka; Emilio Morales; H.-J. Koo; M.-H. Whangbo; R. W. Winter; J. Mohtasham; Gary L. Gard","Crystal structure, physical properties and electronic structure of a new organic conductor β″-(BEDT-TTF)2SF5CHFCF2SO3","J. Mater. Chem.","2001","11","8","2008","2013","10.1039/b008735l","","","0.71073","MoKα","","0.1126","0.079","","","0.171","0.1922","","","","","","1.055","","","","has coordinates,has disorder","180371","2020-10-21","18:00:00",""
"7204052","9.2462","0.0004","11.361","0.0005","17.7145","0.0008","94.121","0.001","94.914","0.001","103.139","0.001","1797.45","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","Bis(ethylenedithio)tetrathiafulvalenium 1-pentafluorothio-1,2,2-trifluoro-ethylsulfonate (2:1)","","- C22 H17 F8 O3 S18 -","- C22.006 H17 F8.018 O3.006 S18 -","- C44.012 H34 F16.036 O6.012 S36 -","2","1","","John A. Schlueter; Brian H. Ward; Urs Geiser; Hau H. Wang; Aravinda M. Kini; James Parakka; Emilio Morales; H.-J. Koo; M.-H. Whangbo; R. W. Winter; J. Mohtasham; Gary L. Gard","Crystal structure, physical properties and electronic structure of a new organic conductor β″-(BEDT-TTF)2SF5CHFCF2SO3","J. Mater. Chem.","2001","11","8","2008","2013","10.1039/b008735l","","","0.71073","MoKα","","0.0656","0.0527","","","0.1209","0.1301","","","","","","1.047","","","","has coordinates,has disorder","180371","2020-10-21","18:00:00",""
"7204053","15.6","0.01","16.323","0.01","6.96","0.01","103.94","0.08","103.98","0.08","95.77","0.06","1645","3","288.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C27 H12 Cl0.5 F6 N4 O2 P S8 -","- C27 H14 Cl0.5 F6 N4 O2 P S8 -","- C54 H28 Cl F12 N8 O4 P2 S16 -","2","1","","Ise, Toshihiro; Mori, Takehiko; Takahashi, Kazuko","Preparation, crystal structures and electrical properties of PF6 and AsF6 salts of a novel furopyrazine-extended donor (BDTFP) with a two-leg ladder type orbital overlapping mode","Journal of Materials Chemistry","2001","11","2","264","","10.1039/b008758k","","","0.7107","MoKα","","","0.068","","","","0.0792","","","","","","0.296","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204054","15.66","0.02","16.531","0.01","6.98","0.003","104.21","0.02","102.92","0.03","96.42","0.05","1681","3","288.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C27 H12 As Cl F6 N4 O2 S8 -","- C27 H14 As Cl0.5 F6 N4 O2 S8 -","- C54 H28 As2 Cl F12 N8 O4 S16 -","2","1","","Ise, Toshihiro; Mori, Takehiko; Takahashi, Kazuko","Preparation, crystal structures and electrical properties of PF6 and AsF6 salts of a novel furopyrazine-extended donor (BDTFP) with a two-leg ladder type orbital overlapping mode","Journal of Materials Chemistry","2001","11","2","264","","10.1039/b008758k","","","0.7107","MoKα","","","0.0782","","","","0.0884","","","","","","0.241","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204055","14.577","0.002","22.601","0.004","22.184","0.003","90","","105.52","0.03","90","","7042","2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","trans-4-[2-(3,4,5-trimethoxyphenyl)vinyl]benzoic acid / tris(imidazoline), 3:1 complex / ethanol hydrate","","- C70 H83 N6 O19.5 -","- C70 H75 N6 O19.5 -","- C280 H300 N24 O78 -","4","1","","Osterod, Frank; Peters, Lars; Kraft, Arno; Sano, Takeshi; Morrison, John J.; Feeder, Neil; Holmes, Andrew B.","Luminescent supramolecular assemblies based on hydrogen­bonded complexes of stilbenecarboxylic acids and dithieno[3,2­b:2',3'­d]thiophene­2­carboxylic acids with a tris(imidazoline) base","Journal of Materials Chemistry","2001","11","6","1625","","10.1039/b009406o","","","0.6919","Synchrotron","","0.2761","0.1586","","","0.3645","0.4216","","","","","","1.14","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7204056","9.8977","0.0007","32.031","0.002","16.209","0.001","90","","107.72","0.01","90","","4895","0.6","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","dithieno[3,2-b;2',3'-d]thiophene-2-carboxylic acid / tris(imidazoline), 3:1 complex / ethanol/chloroform solvate","","- C45 H37 Cl3 N6 O7 S9 -","- C45 H37 Cl3 N6 O7 S9 -","- C180 H148 Cl12 N24 O28 S36 -","4","1","","Osterod, Frank; Peters, Lars; Kraft, Arno; Sano, Takeshi; Morrison, John J.; Feeder, Neil; Holmes, Andrew B.","Luminescent supramolecular assemblies based on hydrogen­bonded complexes of stilbenecarboxylic acids and dithieno[3,2­b:2',3'­d]thiophene­2­carboxylic acids with a tris(imidazoline) base","Journal of Materials Chemistry","2001","11","6","1625","","10.1039/b009406o","","","0.6883","Synchrotron","","0.0905","0.0687","","","0.1764","0.1862","","","","","","0.969","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204058","12.4117","0.0019","28.47","0.004","12.4864","0.0019","90","","98.596","0.003","90","","4362.6","1.1","193","2","193","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C39 H34 F12 N6 O P2 Ru S4 -","- C39 H34 F12 N6 O P2 Ru S4 -","- C156 H136 F48 N24 O4 P8 Ru4 S16 -","4","0.5","","MacLean, Brian J.; Pickup, Peter G.","Bithiophene‒bithiazole copolymers and their metal complexes","Journal of Materials Chemistry","2001","11","5","1357","","10.1039/b009568k","","","0.71073","MoKα","","0.1037","0.0785","","","0.212","0.2301","","","","","","1.023","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204059","7.891","0.006","16.406","0.005","6.629","0.003","96.09","0.03","100.43","0.05","87.1","0.05","838.8","0.8","296.2","","296.2","","","","","","","","","6","P -1","-P 1","2","(BPT-TSF)2AsF6","","","- C24 H24 As F6 S4 Se8 -","- C25.8 As F6 S3.32 Se8 -","- C25.8 As F6 S3.32 Se8 -","1","0.5","","Jigami, Tetsuya; Kodani, Mie; Murakami, Satoshi; Takimiya, Kazuo; Aso, Yoshio; Otsubo, Tetsuo","Synthesis and properties of novel heterocycle-fused TTF-type electron donors: bis(propylenethio)tetrathiafulvalene (BPT-TTF), bis(propyleneseleno)tetrathiafulvalene (BPS-TTF), and their tetraselenafulvalene analogues (BPT-TSF and BPS-TSF)","Journal of Materials Chemistry","2001","11","4","1026","","10.1039/b009700o","","","0.7107","MoKα","","0.0326","0.0326","","","0.034","0.034","","","","","","3.303","","","","has coordinates","180371","2020-10-21","18:00:00",""
"7204060","11.731","0.004","35.41","0.02","8.609","0.003","90.03","0.04","89.99","0.03","90.06","0.04","3576","3","296.2","","296.2","","","","","","","","","6","P n m a","-P 2ac 2n","62","(BPT-TSF)2-FeCl4","","","- C24 H24 Cl4 Fe S4 Se8 -","- C26.34 Cl4 Fe S3.14 Se8 -","- C105.36 Cl16 Fe4 S12.56 Se32 -","4","0.5","","Jigami, Tetsuya; Kodani, Mie; Murakami, Satoshi; Takimiya, Kazuo; Aso, Yoshio; Otsubo, Tetsuo","Synthesis and properties of novel heterocycle-fused TTF-type electron donors: bis(propylenethio)tetrathiafulvalene (BPT-TTF), bis(propyleneseleno)tetrathiafulvalene (BPS-TTF), and their tetraselenafulvalene analogues (BPT-TSF and BPS-TSF)","Journal of Materials Chemistry","2001","11","4","1026","","10.1039/b009700o","","","0.7107","MoKα","","0.0671","0.0671","","","0.055","0.055","","","","","","4.389","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204061","10.793","0.004","15.769","0.005","8.312","0.003","93.85","0.03","109.43","0.02","88.04","0.03","1331","0.8","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","(BPS-TSF)2-SbF6","","","- C36 H36 As2 F12 Se18 -","- C38.84 As2 F12 Se17.5 -","- C38.84 As2 F12 Se17.5 -","1","0.5","","Jigami, Tetsuya; Kodani, Mie; Murakami, Satoshi; Takimiya, Kazuo; Aso, Yoshio; Otsubo, Tetsuo","Synthesis and properties of novel heterocycle-fused TTF-type electron donors: bis(propylenethio)tetrathiafulvalene (BPT-TTF), bis(propyleneseleno)tetrathiafulvalene (BPS-TTF), and their tetraselenafulvalene analogues (BPT-TSF and BPS-TSF)","Journal of Materials Chemistry","2001","11","4","1026","","10.1039/b009700o","","","0.7107","MoKα","","0.0421","0.0421","","","0.0455","0.0455","","","","","","1.689","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204062","10.6231","0.0012","11.3337","0.001","12.491","0.003","73.503","0.009","89.978","0.01","79.759","0.008","1417","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H30 N2 -","- C38 H30 N2 -","- C76 H60 N4 -","2","1","","XiaoMei Wang; Dong Wang; GuangYong Zhou; WenTao Yu; YuFang Zhou; Qi Fang; MinHua Jiang","Symmetric and asymmetric charge transfer process of two-photon absorbing chromophores: bis-donor substituted stilbenes, and substituted styrylquinolinium and styrylpyridinium derivatives","J. Mater. Chem.","2001","11","6","1600","1605","10.1039/b009769l","","","0.71073","MoKα","","0.1408","0.0562","","","0.1245","0.1586","","","","","","0.966","","","","has coordinates","180371","2020-10-21","18:00:00",""
"7204063","18.6842","0.0012","18.6842","0.0012","9.408","0.0008","90","","90","","90","","3284.3","0.4","293","2","293","2","","","","","","","","8","P 4/n :2","-P 4a","85","nicoapo-sta7","","","- C3.8 H9.9 Al2.5 Co0.5 N1.1 Ni0.25 O12.5 P3 -","- C3.8 Al2.5 Co0.5 N1.1 Ni0.25 O12.5 P3 -","- C30.4 Al20 Co4 N8.8 Ni2 O100 P24 -","8","1","","Garcia, Raquel; Philp, Eilidh F.; Slawin, Alexandra M. Z.; Wright, Paul A.; Cox, Paul A.","Nickel complexed within an azamacrocycle as a structure directing agent in the crystallization of the framework metalloaluminophosphates STA-6 and STA-7","Journal of Materials Chemistry","2001","11","5","1421","","10.1039/b009813m","","","0.71073","MoKα","","0.1563","0.0781","","0.2645","0.1917","","","","1.079","1.081","1.081","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204064","8.8835","0.0019","6.8743","0.0015","9.5526","0.0017","90","","93.82","0.005","90","","582.1","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H7 Al N O5 P -","- C2 H7 Al N O5 P -","- C8 H28 Al4 N4 O20 P4 -","4","1","","Wang, Kaixue; Yu, Jihong; Miao, Peng; Song, Yu; Li, Jiyang; Shi, Zhan; Xu, Ruren","A new layered aluminophosphate [C4H12N2][Al2P2O8(OH)2] templated by piperazine","Journal of Materials Chemistry","2001","11","7","1898","","10.1039/b010206g","","","0.71073","MoKα","","0.0384","0.0277","","","0.0689","0.0729","","","","","","1.096","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204066","14.226","0.002","14.226","0.002","6.414","0.001","90","","90","","90","","1298.1","0.3","288.2","","288.2","","","","","","","","","7","P 4/m c c","-P 4 2c","124","","","","- C64 H32 As Co0.9 F6 N16 Ni1.1 -","- C32 H16 As0.12 Co0.12 F3.84 N8 Ni0.14 -","- C32 H16 As0.12 Co0.12 F3.84 N8 Ni0.14 -","1","0.0625","","Ding, Yuqin; Simonyan, Mkhital; Yonehara, Yukako; Uruichi, Mikio; Yakushi, Kyuya","Preparation and characterization of phthalocyanine-based organic alloy CoxNi1 − xPc(AsF6)0.5 (0 ≤ x ≤ 1)","Journal of Materials Chemistry","2001","11","5","1469","","10.1039/b100043h","","","0.7107","MoKα","","","0.0701","","","0.0727","","","","","2.138","2.138","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204067","14.033","0.004","28.54","0.01","6.435","0.002","90","","90","","90","","2577.2","1.4","288.2","","288.2","","","","","","","","","7","P n c 2","P 2 -2bc","30","","","","- C64 H32 As Co0.5 F6 N16 Ni1.5 -","- C64 H32 As0.5 Co0.5 F6 N16 Ni1.5 -","- C128 H64 As Co F12 N32 Ni3 -","2","0.5","","Ding, Yuqin; Simonyan, Mkhital; Yonehara, Yukako; Uruichi, Mikio; Yakushi, Kyuya","Preparation and characterization of phthalocyanine-based organic alloy CoxNi1 − xPc(AsF6)0.5 (0 ≤ x ≤ 1)","Journal of Materials Chemistry","2001","11","5","1469","","10.1039/b100043h","","","0.7107","MoKα","","","0.0677","","","0.0881","","","","","2.709","2.709","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204068","6.7026","0.0013","7.4586","0.0015","15.789","0.003","95.6","0.03","98.47","0.03","104.2","0.03","749.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(EDT-TTFBr2)2 IBr2","Bis(3,4-dibromo-3',4'-ethylenedithiotetrathiafulvalene) dibromoiodide","","- C16 H8 Br6 I S12 -","- C16 H8 Br6 I S12 -","- C16 H8 Br6 I S12 -","1","0.5","","Benoît Domercq; Thomas Devic; Marc Fourmigué; Pascale Auban-Senzier; Enric Canadell","HalHal interactions in a series of three isostructural salts of halogenated tetrathiafulvalenes. Contribution of the halogen atoms to the HOMO‒HOMO overlap interactions","J. Mater. Chem.","2001","11","6","1570","1575","10.1039/b100103p","","","0.71073","MoKα","","0.0372","0.025","","","0.0504","0.0528","","","","","","0.904","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204069","6.7796","0.0014","7.5112","0.0015","16.117","0.003","95.61","0.03","99.74","0.03","103.1","0.03","779.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","2(EDT-TTF-BR2), I3","Bis(3,4-dibromo-3',4'-ethylenedithiotetrathiafulvalene) triiodide","","- C8 H4 Br2 I1.5 S6 -","- C8 H4 Br2 I1.5 S6 -","- C16 H8 Br4 I3 S12 -","2","1","","Benoît Domercq; Thomas Devic; Marc Fourmigué; Pascale Auban-Senzier; Enric Canadell","HalHal interactions in a series of three isostructural salts of halogenated tetrathiafulvalenes. Contribution of the halogen atoms to the HOMO‒HOMO overlap interactions","J. Mater. Chem.","2001","11","6","1570","1575","10.1039/b100103p","","","0.71073","MoKα","","0.0384","0.0256","","","0.0504","0.0527","","","","","","0.845","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204070","7.0316","0.0014","7.6515","0.0015","16.138","0.003","95.2","0.03","98.54","0.03","103.49","0.03","827.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2(EDT-TTF-I2), I3","Bis(3,4-diiodo-3',4'-ethylenedithiotetrathiafulvalene), triiodide","","- C16 H8 I7 S12 -","- C16 H8 I7 S12 -","- C16 H8 I7 S12 -","1","0.5","","Benoît Domercq; Thomas Devic; Marc Fourmigué; Pascale Auban-Senzier; Enric Canadell","HalHal interactions in a series of three isostructural salts of halogenated tetrathiafulvalenes. Contribution of the halogen atoms to the HOMO‒HOMO overlap interactions","J. Mater. Chem.","2001","11","6","1570","1575","10.1039/b100103p","","","0.71073","MoKα","","0.0529","0.0456","","","0.1172","0.1207","","","","","","1.104","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204071","8.2993","0.0017","9.3651","0.0019","9.707","0.0019","104.7","0.02","104.99","0.02","96.58","0.02","691.7","0.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H48 N4 O8 Ti2 -","- C20 H48 N4 O8 Ti2 -","- C20 H48 N4 O8 Ti2 -","1","0.5","","Jones, Anthony C.; Williams, Paul A.; Bickley, Jamie F.; Steiner, Alexander; Davies, Hywel O.; Leedham, Timothy J.; Awaluddin, Amir; Pemble, Martyn E.; Critchlow, Gary W.","Synthesis and crystal structures of two new titanium alkoxy‒diolate complexes. Potential precursors for oxide ceramics","Journal of Materials Chemistry","2001","11","5","1428","","10.1039/b100411p","","","0.71073","MoKα","","0.0516","0.0355","","","0.0799","0.0833","","","","","","0.913","","","","has coordinates","180371","2020-10-21","18:00:00",""
"7204072","9.3358","0.0014","10.0168","0.0016","11.4403","0.0018","110.358","0.017","107.365","0.018","99.353","0.018","913.9","0.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H64 N4 O8 Ti2 -","- C28 H64 N4 O8 Ti2 -","- C28 H64 N4 O8 Ti2 -","1","0.5","","Jones, Anthony C.; Williams, Paul A.; Bickley, Jamie F.; Steiner, Alexander; Davies, Hywel O.; Leedham, Timothy J.; Awaluddin, Amir; Pemble, Martyn E.; Critchlow, Gary W.","Synthesis and crystal structures of two new titanium alkoxy‒diolate complexes. Potential precursors for oxide ceramics","Journal of Materials Chemistry","2001","11","5","1428","","10.1039/b100411p","","","0.71073","MoKα","","0.0377","0.0299","","","0.0794","0.0823","","","","","","1.014","","","","has coordinates","180371","2020-10-21","18:00:00",""
"7204073","11.391","0.004","12.414","0.003","12.846","0.004","71.04","0.03","68.39","0.02","66.88","0.02","1518.3","0.9","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H14 F2 Ga6 N2 O25 P6 -","- C10 H12 F2 Ga6 N2 O25 P6 -","- C20 H24 F4 Ga12 N4 O50 P12 -","2","1","","Wragg, David S.; Slawin, Alexandra M. Z.; Morris, Russell E.","The synthesis of gallium phosphate frameworks with and without fluoride ions present: attempts to direct the synthesis of double four-ring containing materials","Journal of Materials Chemistry","2001","11","7","1850","","10.1039/b100471i","","","0.6849","","","0.0481","0.0454","","","0.1272","0.1288","","","","","","1.207","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204074","9.265","0.005","9.397","0.008","9.238","0.005","94.36","0.06","90.64","0.05","103.67","0.05","778.9","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C10 H14 F2 Ga6 N2 O25 P6 -","- C10 H12 F2 Ga6 N2 O25 P6 -","- C10 H12 F2 Ga6 N2 O25 P6 -","1","0.5","","Wragg, David S.; Slawin, Alexandra M. Z.; Morris, Russell E.","The synthesis of gallium phosphate frameworks with and without fluoride ions present: attempts to direct the synthesis of double four-ring containing materials","Journal of Materials Chemistry","2001","11","7","1850","","10.1039/b100471i","","","0.71073","MoKα","","0.0313","0.0276","","","0.0788","0.0809","","","","","","1.02","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204075","12.157","0.003","14.202","0.003","13.065","0.005","90","","91.848","0.002","90","","2254.5","1.1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 F2 Ga4 N2 O17 P4 -","- C10 H14 F2 Ga4 N2 O17 P4 -","- C40 H56 F8 Ga16 N8 O68 P16 -","4","1","","Wragg, David S.; Slawin, Alexandra M. Z.; Morris, Russell E.","The synthesis of gallium phosphate frameworks with and without fluoride ions present: attempts to direct the synthesis of double four-ring containing materials","Journal of Materials Chemistry","2001","11","7","1850","","10.1039/b100471i","","","0.71073","MoKα","","0.0776","0.0485","","","0.1437","0.1593","","","","","","1.123","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204076","13.016","0.003","13.016","0.003","7.356","0.004","90","","90","","90","","1246.2","0.8","293","2","293","2","","","","","","","","6","I -4 2 m","I -4 2","121","","","","- C10 H20 Ga4 N2 O21 P4 -","- C12 H12 Ga4 O21 P4 -","- C24 H24 Ga8 O42 P8 -","2","0.125","","Wragg, David S.; Slawin, Alexandra M. Z.; Morris, Russell E.","The synthesis of gallium phosphate frameworks with and without fluoride ions present: attempts to direct the synthesis of double four-ring containing materials","Journal of Materials Chemistry","2001","11","7","1850","","10.1039/b100471i","","","1.54178","CuKα","","0.079","0.0704","","0.1953","0.1838","","","","1.089","1.111","1.111","","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7204077","13.9001","0.0005","7.3319","0.0002","16.3165","0.0005","90","","90","","90","","1662.88","0.09","295","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C40.5 H26 Fe N11.5 -","- C40.5 H16 Fe N11.5 -","- C81 H32 Fe2 N23 -","2","0.25","","Matsuda, Masaki; Naito, Toshio; Inabe, Tamotsu; Hanasaki, Noriaki; Tajima, Hiroyuki","Structure and electrical and magnetic properties of (PTMA)x[M(Pc)(CN)2]·y(solvent) (PTMA = phenyltrimethylammonium and [M(Pc)(CN)2] = dicyano(phthalocyaninato)Miii with M = Co and Fe). Partial oxidation by partial solvent occupation of the cationic site","Journal of Materials Chemistry","2001","11","10","2493","","10.1039/b100623l","","","0.7107","MoKα","","","0.0505","","","","0.0577","","","","","","3.182","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204078","13.8706","0.0006","7.3498","0.0003","16.2958","0.0007","90","","90","","90","","1661.29","0.12","295","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C40.5 H26 Co N11.5 -","- C40.5 H16 Co N11.5 -","- C81 H32 Co2 N23 -","2","0.25","","Matsuda, Masaki; Naito, Toshio; Inabe, Tamotsu; Hanasaki, Noriaki; Tajima, Hiroyuki","Structure and electrical and magnetic properties of (PTMA)x[M(Pc)(CN)2]·y(solvent) (PTMA = phenyltrimethylammonium and [M(Pc)(CN)2] = dicyano(phthalocyaninato)Miii with M = Co and Fe). Partial oxidation by partial solvent occupation of the cationic site","Journal of Materials Chemistry","2001","11","10","2493","","10.1039/b100623l","","","0.7107","MoKα","","","0.0467","","","","0.046","","","","","","2.387","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204079","13.85","0.001","7.2494","0.0004","16.155","0.001","90","","90","","90","","1622.03","0.18","123","","","","","","","","","","","4","P n n m","-P 2 2n","58","","","","- C40.5 H26 Fe N11.5 -","- C41.5 H16 Fe N11.5 -","- C83 H32 Fe2 N23 -","2","0.25","","Matsuda, Masaki; Naito, Toshio; Inabe, Tamotsu; Hanasaki, Noriaki; Tajima, Hiroyuki","Structure and electrical and magnetic properties of (PTMA)x[M(Pc)(CN)2]·y(solvent) (PTMA = phenyltrimethylammonium and [M(Pc)(CN)2] = dicyano(phthalocyaninato)Miii with M = Co and Fe). Partial oxidation by partial solvent occupation of the cationic site","Journal of Materials Chemistry","2001","11","10","2493","","10.1039/b100623l","","","0.7107","MoKα","","","0.0512","","","","0.0534","","","","","","2.943","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204080","13.6682","0.0005","7.3102","0.0002","16.3705","0.0007","90","","90","","90","","1635.7","0.1","113","","","","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C41.5 H30 Co N10.5 O -","- C40.5 H16 Co N11.5 O -","- C81 H32 Co2 N23 O2 -","2","0.25","","Matsuda, Masaki; Naito, Toshio; Inabe, Tamotsu; Hanasaki, Noriaki; Tajima, Hiroyuki","Structure and electrical and magnetic properties of (PTMA)x[M(Pc)(CN)2]·y(solvent) (PTMA = phenyltrimethylammonium and [M(Pc)(CN)2] = dicyano(phthalocyaninato)Miii with M = Co and Fe). Partial oxidation by partial solvent occupation of the cationic site","Journal of Materials Chemistry","2001","11","10","2493","","10.1039/b100623l","","","0.7107","MoKα","","","0.0432","","","","0.053","","","","","","1.343","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204088","4.716","0.002","16.583","0.002","6.709","0.002","90","","104.84","0.02","90","","507.2","0.3","223.7","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N4 O2 -","- C10 H8 N4 O2 -","- C20 H16 N8 O4 -","2","0.5","","Sugiura, Ken-ichi; Mikami, Shinji; Johnson, Mitchell T.; Raebiger, James W.; Miller, Joel S.; Iwasaki, Kentaro; Okada, Yuko; Hino, Shojun; Sakata, Yoshiteru","Ferrimagnetic ordering of one-dimensional N,N'-dicyanoquinone diimine (DCNQI) electron transfer salts with porphyrinatomanganese(II)","Journal of Materials Chemistry","2001","11","9","2152","","10.1039/b100936m","","","0.7107","MoKα","","","0.0529","","","","0.0782","","","","","","1.272","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204089","12.988","0.005","20.02","0.006","15.548","0.005","90","","104.6","0.03","90","","3912","2","198.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H80 Cl4 Mn N8 -","- C90 H78 Cl4 Mn N8 -","- C180 H156 Cl8 Mn2 N16 -","2","0.5","","Sugiura, Ken-ichi; Mikami, Shinji; Johnson, Mitchell T.; Raebiger, James W.; Miller, Joel S.; Iwasaki, Kentaro; Okada, Yuko; Hino, Shojun; Sakata, Yoshiteru","Ferrimagnetic ordering of one-dimensional N,N'-dicyanoquinone diimine (DCNQI) electron transfer salts with porphyrinatomanganese(II)","Journal of Materials Chemistry","2001","11","9","2152","","10.1039/b100936m","","","0.7107","MoKα","","","0.1095","","","","0.1653","","","","","","1.942","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204090","12.795","0.002","14.082","0.002","12.042","0.002","104.33","0.01","95.09","0.02","111.35","0.01","1919.1","0.6","223.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C90 H90 Mn N8 O2 -","- C90 H90 Mn N8 O2 -","- C90 H90 Mn N8 O2 -","1","0.5","","Sugiura, Ken-ichi; Mikami, Shinji; Johnson, Mitchell T.; Raebiger, James W.; Miller, Joel S.; Iwasaki, Kentaro; Okada, Yuko; Hino, Shojun; Sakata, Yoshiteru","Ferrimagnetic ordering of one-dimensional N,N'-dicyanoquinone diimine (DCNQI) electron transfer salts with porphyrinatomanganese(II)","Journal of Materials Chemistry","2001","11","9","2152","","10.1039/b100936m","","","0.7107","MoKα","","","0.0602","","","","0.085","","","","","","1.657","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204091","10.2732","0.0002","19.9494","0.0003","35.0304","0.0006","90","","92.969","0.001","90","","7169.6","0.2","120","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","ET4NH4Fe(OX)3C6H5NO2","","","- C26 H20.5 Fe0.5 N O7 S16 -","- C26 H20.5 Fe0.5 N O7 S16 -","- C208 H164 Fe4 N8 O56 S128 -","8","1","","Rashid, Samina; Turner, Scott S.; Day, Peter; Howard, Judith A. K.; Guionneau, Philippe; McInnes, Eric J. L.; Mabbs, Frank E.; Clark, Robin J. H.; Firth, Steven; Biggs, Tim","New superconducting charge-transfer salts (BEDT-TTF)4[A·M(C2O4)3]·C6H5NO2 (A = H3O or NH4, M = Cr or Fe, BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene)","Journal of Materials Chemistry","2001","11","9","2095","","10.1039/b101134k","","","0.71073","MoKα","","0.0527","0.0378","","0.08","0.0724","","","","1.13","1.141","1.141","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204092","10.2834","0.0001","19.9172","0.0001","34.9399","0.0002","90","","93.299","0.001","90","","7144.41","0.09","120","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H20.5 Cr0.5 N O7 S16 -","- C26 H20.5 Cr0.5 N O7 S16 -","- C208 H164 Cr4 N8 O56 S128 -","8","1","","Rashid, Samina; Turner, Scott S.; Day, Peter; Howard, Judith A. K.; Guionneau, Philippe; McInnes, Eric J. L.; Mabbs, Frank E.; Clark, Robin J. H.; Firth, Steven; Biggs, Tim","New superconducting charge-transfer salts (BEDT-TTF)4[A·M(C2O4)3]·C6H5NO2 (A = H3O or NH4, M = Cr or Fe, BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene)","Journal of Materials Chemistry","2001","11","9","2095","","10.1039/b101134k","","","0.71073","MoKα","","0.096","0.047","","0.1109","0.0902","","","","1.028","1.065","1.065","","","","","has coordinates","189056","2020-10-21","18:00:00",""
"7204093","10.3039","0.0002","20.0908","0.0003","35.2508","0.0004","90","","92.701","0.001","90","","7289.3","0.2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H20.5 Cr0.5 N O7 S16 -","- C26 H20.5 Cr0.5 N O7 S16 -","- C208 H164 Cr4 N8 O56 S128 -","8","1","","Rashid, Samina; Turner, Scott S.; Day, Peter; Howard, Judith A. K.; Guionneau, Philippe; McInnes, Eric J. L.; Mabbs, Frank E.; Clark, Robin J. H.; Firth, Steven; Biggs, Tim","New superconducting charge-transfer salts (BEDT-TTF)4[A·M(C2O4)3]·C6H5NO2 (A = H3O or NH4, M = Cr or Fe, BEDT-TTF = bis(ethylenedithio)tetrathiafulvalene)","Journal of Materials Chemistry","2001","11","9","2095","","10.1039/b101134k","","","0.71073","MoKα","","0.1637","0.0646","","","0.1265","0.1719","","","","","","1.061","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204102","7.694","0.001","9.21","0.001","10.764","0.002","108.598","0.003","92.3","0.003","109.814","0.003","670.66","0.17","288.2","","288.2","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H38 Ni3 O21 -","- C18 H20 Ni2.5 O21 -","- C18 H20 Ni2.5 O21 -","1","0.5","","Kumagai, Hitoshi; Akita-Tanaka, Motoko; Inoue, Katsuya; Kurmoo, Mohamedally","Hydrothermal synthesis and characterization of a new 3D-network containing the versatile cis,cis-cyclohexane-1,3,5-tricarboxylate","Journal of Materials Chemistry","2001","11","9","2146","","10.1039/b101531l","","","0.7107","MoKα","","0.0527","0.0483","","0.0611","0.0605","","","","4.113","4.378","4.378","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204103","7.799","0.002","9.212","0.002","10.784","0.002","107.595","0.003","92.877","0.003","110.248","0.003","682.4","0.3","288.2","","288.2","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H36 Co3 O21 -","- C18 H20 Co2.5 O21 -","- C18 H20 Co2.5 O21 -","1","0.5","","Kumagai, Hitoshi; Akita-Tanaka, Motoko; Inoue, Katsuya; Kurmoo, Mohamedally","Hydrothermal synthesis and characterization of a new 3D-network containing the versatile cis,cis-cyclohexane-1,3,5-tricarboxylate","Journal of Materials Chemistry","2001","11","9","2146","","10.1039/b101531l","","","0.7107","MoKα","","0.0416","0.0392","","0.0512","0.0505","","","","0.143","0.148","0.148","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204104","13.849","0.006","14.215","0.008","8.6","0.007","106.78","0.05","94.77","0.05","78.22","0.04","1586.3","1.8","293.2","","293.2","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14.5 Cl4.5 Ga S12 -","- C17 H12 Cl4.5 Ga S12 -","- C34 H24 Cl9 Ga2 S24 -","2","1","","Katsuhara, Mao; Aragaki, Masanobu; Kimura, Shinya; Mori, Takehiko; Misaki, Yohji; Tanaka, Kazuyoshi","Tetrathiapentalene-based organic conductors with 1 ∶ 1 composition","Journal of Materials Chemistry","2001","11","9","2125","","10.1039/b101542g","","","0.7107","MoKα","","0.0651","0.065","","0.071","","0.071","","","3.407","","","3.41","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204105","14.318","0.004","14.507","0.004","8.54","0.007","105.11","0.04","93.16","0.04","75.44","0.02","1657.4","1.5","293.2","","293.2","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14.5 Br4 Cl0.5 Ga S12 -","- C8.5 H6 Br2 Cl0.25 Ga0.5 S6 -","- C34 H24 Br8 Cl Ga2 S24 -","4","2","","Katsuhara, Mao; Aragaki, Masanobu; Kimura, Shinya; Mori, Takehiko; Misaki, Yohji; Tanaka, Kazuyoshi","Tetrathiapentalene-based organic conductors with 1 ∶ 1 composition","Journal of Materials Chemistry","2001","11","9","2125","","10.1039/b101542g","","","0.7107","MoKα","","0.1148","0.115","","0.152","","0.152","","","5.993","","","5.99","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204106","14.136","0.002","14.361","0.003","8.571","0.001","105.88","0.01","93.89","0.01","76.65","0.01","1628.3","0.5","293.2","","293.2","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H14.5 Br2 Cl2.5 Ga S12 -","- C17 H12 Br2.921 Cl0.5 Ga S12 -","- C34 H24 Br5.842 Cl Ga2 S24 -","2","1","","Katsuhara, Mao; Aragaki, Masanobu; Kimura, Shinya; Mori, Takehiko; Misaki, Yohji; Tanaka, Kazuyoshi","Tetrathiapentalene-based organic conductors with 1 ∶ 1 composition","Journal of Materials Chemistry","2001","11","9","2125","","10.1039/b101542g","","","0.7107","MoKα","","0.0737","0.074","","0.093","","0.093","","","5.095","","","5.1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204107","24.021","0.007","5.85","0.002","22.435","0.007","90","","118.77","0.02","90","","2763.5","1.6","293.2","","293.2","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 Cl4 Fe0.9 Ga0.1 S12 -","- C14 H12 Cl4 Fe0.502 S12 -","- C56 H48 Cl16 Fe2.008 S48 -","4","0.5","","Katsuhara, Mao; Aragaki, Masanobu; Kimura, Shinya; Mori, Takehiko; Misaki, Yohji; Tanaka, Kazuyoshi","Tetrathiapentalene-based organic conductors with 1 ∶ 1 composition","Journal of Materials Chemistry","2001","11","9","2125","","10.1039/b101542g","","","0.7107","MoKα","","0.0489","0.049","","0.052","","0.052","","","1.047","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204108","8.6768","0.0007","10.517","0.0003","14.2544","0.0009","69.509","0.007","76.406","0.003","83.126","0.003","1183.33","0.14","113.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H8 Br4 Fe S9 -","- C11 H8 Br4 Fe S9 -","- C22 H16 Br8 Fe2 S18 -","2","1","","Kominami, Tsuyoshi; Matsumoto, Takuya; Ueda, Kazumasa; Sugimoto, Toyonari; Murata, Keizo; Shiro, Motoo; Fujita, Hideo","Crystal structures and electrical conducting/magnetic properties in 1 ∶ 1 FeCl4 and FeBr4 salts of dimethylthio- and ethylenedithio-(1,3-dithiolylidene)thioxotetrathiafulvalene radical cations","Journal of Materials Chemistry","2001","11","9","2089","","10.1039/b101547h","","","0.7107","MoKα","","","0.0807","","","","0.2141","","","","","","1.906","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204109","15.222","0.003","7.4915","0.0009","18.537","0.003","90","","91.874","0.006","90","","2112.7","0.6","298.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 Cl4 Fe S9 -","- C11 H6 Cl4 Fe S9 -","- C44 H24 Cl16 Fe4 S36 -","4","1","","Kominami, Tsuyoshi; Matsumoto, Takuya; Ueda, Kazumasa; Sugimoto, Toyonari; Murata, Keizo; Shiro, Motoo; Fujita, Hideo","Crystal structures and electrical conducting/magnetic properties in 1 ∶ 1 FeCl4 and FeBr4 salts of dimethylthio- and ethylenedithio-(1,3-dithiolylidene)thioxotetrathiafulvalene radical cations","Journal of Materials Chemistry","2001","11","9","2089","","10.1039/b101547h","","","0.7107","MoKα","","","0.0559","","","","0.1035","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204110","15.464","0.001","7.4292","0.0004","19.085","0.001","90","","92.438","0.005","90","","2190.6","0.2","298.3","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 Br4 Fe S9 -","- C11 H6 Br4 Fe S9 -","- C44 H24 Br16 Fe4 S36 -","4","1","","Kominami, Tsuyoshi; Matsumoto, Takuya; Ueda, Kazumasa; Sugimoto, Toyonari; Murata, Keizo; Shiro, Motoo; Fujita, Hideo","Crystal structures and electrical conducting/magnetic properties in 1 ∶ 1 FeCl4 and FeBr4 salts of dimethylthio- and ethylenedithio-(1,3-dithiolylidene)thioxotetrathiafulvalene radical cations","Journal of Materials Chemistry","2001","11","9","2089","","10.1039/b101547h","","","0.7107","MoKα","","","0.0662","","","","0.1272","","","","","","1.028","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204111","7.606","0.003","6.773","0.003","34.531","0.002","90","","93.12","0.01","90","","1776.2","1.1","296.2","","","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C28 H17 N2 O4 S16 -","- C28 H17 N2 O4 S16 -","- C56 H34 N4 O8 S32 -","2","0.5","","Zaman, Md. B.; Toyoda, J.; Morita, Y.; Nakamura, S.; Yamochi, H.; Saito, G.; Nishimura, K.; Yoneyama, N.; Enoki, T.; Nakasuji, K.","Preparation of a Mott insulator based on a BEDT-TTF charge transfer complex of hydrogen cyananilate: α'-(BEDT-TTF)2HCNAL","Journal of Materials Chemistry","2001","11","9","2211","","10.1039/b101635k","","","0.7107","MoKα","","","0.0378","","","","0.037","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204115","11.2031","0.0006","11.2031","0.0006","3.6001","0.0003","90","","90","","90","","451.85","0.05","300","","300","","","","","","","","","6","P 42/m n m","-P 4n 2n","136","","","","- C6.26 H4 Cl0.43 N0.26 S4 Se0.26 -","- C6.26 H4 Cl0.43 S4 -","- C12.52 H8 Cl0.86 S8 -","2","0.125","","Mizuno, Masagi; Kokubo, Hisashi; Honda, Kazumasa","Preparation, structure and conduction properties of SeCN-containing mixed anion TTF conductors","Journal of Materials Chemistry","2001","11","9","2192","","10.1039/b101864g","","","0.7107","MoKα","","0.1261","0.0815","","0.1086","","0.1063","","","","","","4.043","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204116","4.19","0.001","11.746","0.002","14.294","0.003","95.18","0.01","91.92","0.01","96.69","0.01","695.2","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","4,4',5,5'-tetraiodotetrathiafulvalene","","- C6 I4 S4 -","- C6 I4 S4 -","- C12 I8 S8 -","2","1","","Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony; Howard, Judith A. K.; John, Derek E.; Moore, Adrian J.; Wood, Clare L.; Gershtenman, Hagit; Becker, James Y.; Khodorkovsky, Vladimir Y.; Ellern, Arkady; Bernstein, Joel; Perepichka, Igor F.; Rotello, Vincent; Gray, Mark; Cuello, Alejandro O.","Synthesis and crystal engineering of new halogenated tetrathiafulvalene (TTF) derivatives and their charge transfer complexes and radical ion salts","Journal of Materials Chemistry","2001","11","9","2181","","10.1039/b101866n","","","0.71073","MoKα","","0.0606","0.054","","0.1533","0.1409","","","","1.14","1.165","1.165","","","","","has coordinates","180372","2020-10-21","18:00:00",""
"7204117","6.225","0.001","15.209","0.002","6.766","0.001","90","","96.65","0.01","90","","636.27","0.16","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4-iodo-4',5,5'-trimethyltetrathiafulvalene","","- C9 H9 I S4 -","- C8.742 H8.325 I0.999 S4 -","- C17.484 H16.65 I1.998 S8 -","2","1","","Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony; Howard, Judith A. K.; John, Derek E.; Moore, Adrian J.; Wood, Clare L.; Gershtenman, Hagit; Becker, James Y.; Khodorkovsky, Vladimir Y.; Ellern, Arkady; Bernstein, Joel; Perepichka, Igor F.; Rotello, Vincent; Gray, Mark; Cuello, Alejandro O.","Synthesis and crystal engineering of new halogenated tetrathiafulvalene (TTF) derivatives and their charge transfer complexes and radical ion salts","Journal of Materials Chemistry","2001","11","9","2181","","10.1039/b101866n","","","0.71073","MoKα","","0.1238","0.0782","","0.2208","0.1643","","","","1.272","1.243","1.243","","","","","has coordinates,has disorder","180372","2020-10-21","18:00:00",""
"7204118","6.033","0.002","6.83","0.001","7.862","0.004","107.7","0.02","103.17","0.01","95.81","0.01","295.38","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","4-bromo-4',5,5'-trimethyltetrathiafulvalene","","- C9 H9 Br S4 -","- C9 H9 Br S4 -","- C9 H9 Br S4 -","1","0.5","","Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony; Howard, Judith A. K.; John, Derek E.; Moore, Adrian J.; Wood, Clare L.; Gershtenman, Hagit; Becker, James Y.; Khodorkovsky, Vladimir Y.; Ellern, Arkady; Bernstein, Joel; Perepichka, Igor F.; Rotello, Vincent; Gray, Mark; Cuello, Alejandro O.","Synthesis and crystal engineering of new halogenated tetrathiafulvalene (TTF) derivatives and their charge transfer complexes and radical ion salts","Journal of Materials Chemistry","2001","11","9","2181","","10.1039/b101866n","","","0.71073","MoKα","","0.0783","0.0556","","0.1555","0.1197","","","","1.173","1.173","1.173","","","","","has coordinates,has disorder","180372","2020-10-21","18:00:00",""
"7204119","6.0472","0.0003","6.7723","0.0004","7.7964","0.0004","107.635","0.002","103.913","0.002","96.561","0.002","289.25","0.03","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","4,4',5,5'-tetramethyltetrathiafulvalene","","- C10 H12 S4 -","- C10 H12 S4 -","- C10 H12 S4 -","1","0.5","","Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony; Howard, Judith A. K.; John, Derek E.; Moore, Adrian J.; Wood, Clare L.; Gershtenman, Hagit; Becker, James Y.; Khodorkovsky, Vladimir Y.; Ellern, Arkady; Bernstein, Joel; Perepichka, Igor F.; Rotello, Vincent; Gray, Mark; Cuello, Alejandro O.","Synthesis and crystal engineering of new halogenated tetrathiafulvalene (TTF) derivatives and their charge transfer complexes and radical ion salts","Journal of Materials Chemistry","2001","11","9","2181","","10.1039/b101866n","","","0.71073","MoKα","","0.0287","0.0247","","","0.0633","0.0656","","","","","","1.066","","","","has coordinates","180372","2020-10-21","18:00:00",""
"7204120","14.609","0.001","11.607","0.001","21.02","0.001","90","","90","","90","","3564.3","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4,5-dibromo-4',5'-bis(2'-cyanoethylsulfanyl)- tetrathiafulvalene","","- C12 H8 Br2 N2 S6 -","- C12 H8 Br2 N2 S6 -","- C96 H64 Br16 N16 S48 -","8","1","","Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony; Howard, Judith A. K.; John, Derek E.; Moore, Adrian J.; Wood, Clare L.; Gershtenman, Hagit; Becker, James Y.; Khodorkovsky, Vladimir Y.; Ellern, Arkady; Bernstein, Joel; Perepichka, Igor F.; Rotello, Vincent; Gray, Mark; Cuello, Alejandro O.","Synthesis and crystal engineering of new halogenated tetrathiafulvalene (TTF) derivatives and their charge transfer complexes and radical ion salts","Journal of Materials Chemistry","2001","11","9","2181","","10.1039/b101866n","","","0.71073","MoKα","","0.0411","0.0291","","0.0655","0.0571","","","","1.209","1.185","1.185","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204121","7.635","0.001","7.959","0.002","20.021","0.003","81.2","0.01","88.64","0.01","87.21","0.01","1200.7","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","4-iodo-5-methyl-4',5'-bis(methylsulfanyl)tetrathiafulvalene 7,7,8,8-tetracyanoquinodimethane","","- C21 H13 I N4 S6 -","- C21 H13 I N4 S6 -","- C42 H26 I2 N8 S12 -","2","1","","Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony; Howard, Judith A. K.; John, Derek E.; Moore, Adrian J.; Wood, Clare L.; Gershtenman, Hagit; Becker, James Y.; Khodorkovsky, Vladimir Y.; Ellern, Arkady; Bernstein, Joel; Perepichka, Igor F.; Rotello, Vincent; Gray, Mark; Cuello, Alejandro O.","Synthesis and crystal engineering of new halogenated tetrathiafulvalene (TTF) derivatives and their charge transfer complexes and radical ion salts","Journal of Materials Chemistry","2001","11","9","2181","","10.1039/b101866n","","","0.71073","MoKα","","0.0528","0.0407","","0.0923","0.0801","","","","1.242","1.228","1.228","","","","","has coordinates,has disorder","180372","2020-10-21","18:00:00",""
"7204122","7.969","0.001","9.066","0.001","17.482","0.001","81.02","0.01","83.25","0.01","77.12","0.01","1211.7","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","4-iodo-4',5'-bis(methylsulfanyl)tetrathiafulvalene 7,7,8,8-tetracyanoquinodimethane","","- C20 H11 I N4 S6 -","- C20 H10.97 I N4 S6 -","- C40 H21.94 I2 N8 S12 -","2","1","","Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony; Howard, Judith A. K.; John, Derek E.; Moore, Adrian J.; Wood, Clare L.; Gershtenman, Hagit; Becker, James Y.; Khodorkovsky, Vladimir Y.; Ellern, Arkady; Bernstein, Joel; Perepichka, Igor F.; Rotello, Vincent; Gray, Mark; Cuello, Alejandro O.","Synthesis and crystal engineering of new halogenated tetrathiafulvalene (TTF) derivatives and their charge transfer complexes and radical ion salts","Journal of Materials Chemistry","2001","11","9","2181","","10.1039/b101866n","","","0.71073","MoKα","","0.0777","0.0412","","0.0939","0.0761","","","","1.077","1.093","1.093","","","","","has coordinates,has disorder","180372","2020-10-21","18:00:00",""
"7204123","14.034","0.001","8.077","0.001","17.96","0.001","90","","107.2","0.01","90","","1944.8","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-iodo-4',5,5'-trimethyltetrathiafulvalenium triiodide hemi(diiodine)","","- C9 H9 I5 S4 -","- C9 H9 I5 S4 -","- C36 H36 I20 S16 -","4","1","","Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony; Howard, Judith A. K.; John, Derek E.; Moore, Adrian J.; Wood, Clare L.; Gershtenman, Hagit; Becker, James Y.; Khodorkovsky, Vladimir Y.; Ellern, Arkady; Bernstein, Joel; Perepichka, Igor F.; Rotello, Vincent; Gray, Mark; Cuello, Alejandro O.","Synthesis and crystal engineering of new halogenated tetrathiafulvalene (TTF) derivatives and their charge transfer complexes and radical ion salts","Journal of Materials Chemistry","2001","11","9","2181","","10.1039/b101866n","","","0.71073","MoKα","","0.1174","0.0766","","0.2244","0.1772","","","","1.177","1.248","1.248","","","","","has coordinates,has disorder","180372","2020-10-21","18:00:00",""
"7204124","7.098","0.001","16.255","0.001","16.541","0.001","90","","90","","90","","1908.5","0.3","150","2","150","2","","","","","","","","5","C m c m","-C 2c 2","63","","4,5-dibromo-4',5'-bis(methylsulfanyl)tetrathiafulvalenium triiodide","","- C8 H6 Br2 I3 S6 -","- C8 H6 Br2 I3 S6 -","- C32 H24 Br8 I12 S24 -","4","0.25","","Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony; Howard, Judith A. K.; John, Derek E.; Moore, Adrian J.; Wood, Clare L.; Gershtenman, Hagit; Becker, James Y.; Khodorkovsky, Vladimir Y.; Ellern, Arkady; Bernstein, Joel; Perepichka, Igor F.; Rotello, Vincent; Gray, Mark; Cuello, Alejandro O.","Synthesis and crystal engineering of new halogenated tetrathiafulvalene (TTF) derivatives and their charge transfer complexes and radical ion salts","Journal of Materials Chemistry","2001","11","9","2181","","10.1039/b101866n","","","0.71073","MoKα","","0.0305","0.0245","","0.0614","0.0561","","","","1.188","1.178","1.178","","","","","has coordinates","180372","2020-10-21","18:00:00",""
"7204125","10.178","0.001","24.49","0.001","14.101","0.001","90","","100.99","0.01","90","","3450.3","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-iodotetrathiafulvalene 2,4,5,7-tetranitro-9- dicyanomethylenefluorene bis-dioxane","","- C30 H23 I N6 O12 S4 -","- C30 H23 I N6 O12 S4 -","- C120 H92 I4 N24 O48 S16 -","4","1","","Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony; Howard, Judith A. K.; John, Derek E.; Moore, Adrian J.; Wood, Clare L.; Gershtenman, Hagit; Becker, James Y.; Khodorkovsky, Vladimir Y.; Ellern, Arkady; Bernstein, Joel; Perepichka, Igor F.; Rotello, Vincent; Gray, Mark; Cuello, Alejandro O.","Synthesis and crystal engineering of new halogenated tetrathiafulvalene (TTF) derivatives and their charge transfer complexes and radical ion salts","Journal of Materials Chemistry","2001","11","9","2181","","10.1039/b101866n","","","0.71073","MoKα","","0.0507","0.0344","","0.0764","0.063","","","","1.19","1.159","1.159","","","","","has coordinates","180372","2020-10-21","18:00:00",""
"7204126","11.209","0.004","7.16","0.003","29.917","0.003","90","","94.03","0.02","90","","2395.1","1.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2,4,7-trinitro-9-dicyanomethylenefluorene 4-iodotetrathiafulvalene","","- C22 H8 I N5 O6 S4 -","- C22 H7 I N5 O6 S4 -","- C88 H28 I4 N20 O24 S16 -","4","1","","Batsanov, Andrei S.; Bryce, Martin R.; Chesney, Antony; Howard, Judith A. K.; John, Derek E.; Moore, Adrian J.; Wood, Clare L.; Gershtenman, Hagit; Becker, James Y.; Khodorkovsky, Vladimir Y.; Ellern, Arkady; Bernstein, Joel; Perepichka, Igor F.; Rotello, Vincent; Gray, Mark; Cuello, Alejandro O.","Synthesis and crystal engineering of new halogenated tetrathiafulvalene (TTF) derivatives and their charge transfer complexes and radical ion salts","Journal of Materials Chemistry","2001","11","9","2181","","10.1039/b101866n","","","1.54178","CuKα","","0.1581","0.1299","","","0.3127","0.3381","","","","","","1.285","","","","has coordinates,has disorder","180372","2020-10-21","18:00:00",""
"7204127","19.872","0.001","19.7547","0.0008","12.6242","0.0006","90","","95.442","0.001","90","","4933.5","0.4","297","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 Ca Ni2 O8 S20 -","- C28 H32 Ca Ni2 O8 S20 -","- C112 H128 Ca4 Ni8 O32 S80 -","4","1","","Akutagawa, Tomoyuki; Takamatsu, Nobuhiro; Shitagami, Kozo; Hasegawa, Tatsuo; Nakamura, Takayoshi; Inabe, Tamotsu; Fujita, Wataru; Awaga, Kunio","Diversity in the ½ spin arrangement of [Ni(dmit)2]‒ anions in divalent Ca2+(crown ether) supramolecular cation salts","Journal of Materials Chemistry","2001","11","9","2118","","10.1039/b101873f","","","0.7107","MoKα","","","0.041","","","0.05","","","","","1.776","1.776","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204128","19.8366","0.0002","19.5053","0.0003","12.5358","0.0004","90","","94.761","0.0002","90","","4833.6","0.18","150.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 Ca Ni2 O8 S20 -","- C28 H32 Ca Ni2 O8 S20 -","- C112 H128 Ca4 Ni8 O32 S80 -","4","1","","Akutagawa, Tomoyuki; Takamatsu, Nobuhiro; Shitagami, Kozo; Hasegawa, Tatsuo; Nakamura, Takayoshi; Inabe, Tamotsu; Fujita, Wataru; Awaga, Kunio","Diversity in the ½ spin arrangement of [Ni(dmit)2]‒ anions in divalent Ca2+(crown ether) supramolecular cation salts","Journal of Materials Chemistry","2001","11","9","2118","","10.1039/b101873f","","","0.7107","MoKα","","","0.023","","","","0.037","","","","","","1.79","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204129","12.4442","0.0004","12.5299","0.0004","26.872","0.001","97.067","0.0007","91.7234","0.0008","97.214","0.001","4120.8","0.2","293.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C33.33333 H42 Ca N0.66667 Ni2 O10 S20 -","- C33.3333 H42 Ca N0.666667 Ni2 O10 S20 -","- C100 H126 Ca3 N2 Ni6 O30 S60 -","3","1.5","","Akutagawa, Tomoyuki; Takamatsu, Nobuhiro; Shitagami, Kozo; Hasegawa, Tatsuo; Nakamura, Takayoshi; Inabe, Tamotsu; Fujita, Wataru; Awaga, Kunio","Diversity in the ½ spin arrangement of [Ni(dmit)2]‒ anions in divalent Ca2+(crown ether) supramolecular cation salts","Journal of Materials Chemistry","2001","11","9","2118","","10.1039/b101873f","","","0.7107","MoKα","","","0.0493","","","0.126","","","","","1.596","1.596","","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204130","15.598","0.003","15.5975","","10.222","0.004","90","","90","","90","","2486.9","1.1","296.1","","","","","","","","","","","7","P 42/m n m","-P 4n 2n","136","","","","- C28 H31 Ca N3 Ni2 O5 S20 -","- C28 Ca N4 Ni2 O4 S20 -","- C56 Ca2 N8 Ni4 O8 S40 -","2","0.125","","Akutagawa, Tomoyuki; Takamatsu, Nobuhiro; Shitagami, Kozo; Hasegawa, Tatsuo; Nakamura, Takayoshi; Inabe, Tamotsu; Fujita, Wataru; Awaga, Kunio","Diversity in the ½ spin arrangement of [Ni(dmit)2]‒ anions in divalent Ca2+(crown ether) supramolecular cation salts","Journal of Materials Chemistry","2001","11","9","2118","","10.1039/b101873f","","","0.7107","MoKα","","","0.05","","","0.081","","","","","3.47","3.47","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204131","10.16","0.007","13.851","0.003","13.678","0.001","90","0","96.57","0.02","90","0","1912.2","1.4","295","2","","","","","","","","","Local laboratory","5","P 1 21/a 1","-P 2yab","14","","","","?","- C32 H32 N4 Ni0.5 S14 -","- C64 H64 N8 Ni S28 -","2","0.5","","Yamochi, Hideki; Sogoshi, Norihito; Simizu, Yasuhiro; Saito, Gunzi; Matsumoto, Kiyoshi","The crystal and electronic structure analysis of (OMTTF)2[Ni(tdas)2]","Journal of Materials Chemistry","2001","11","9","2216","","10.1039/b101909k","","","0.71073","MoK-alpha","","","0.055","","","","","","","","2.73","2.73","","","","","has coordinates","180372","2020-10-21","18:00:00",""
"7204136","7.804","0.004","36.171","0.018","6.284","0.002","91.68","0.04","112.08","0.04","88.79","0.05","1642.9","1.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 Pd2 S21 -","- C17 H13 Pd2 S21 -","- C34 H26 Pd4 S42 -","2","1","","Faulmann, C.; Doublet, M.-L.; Granier, F.; Garreau de Bonneval, B.; Malfant, I.; Legros, J.-P.; Togonidze, T.; Cassoux, P.","Synthesis, electrical behaviour, and crystal and electronic band structures of two different phases of the (SMeEt2)[Pd(dmit)2]2 salt. Consequences of cationic disorder on the electrical properties","Journal of Materials Chemistry","2001","11","9","2205","","10.1039/b102133h","","","0.71073","MoKα","","0.1022","0.0651","","","0.1708","0.1987","","","","","","1.15","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7204137","7.7888","0.0009","36.181","0.003","6.2573","0.0006","92.112","0.011","112.169","0.012","88.74","0.012","1631.8","0.3","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 Pd2 S21 -","- C17 H13 Pd2 S21 -","- C34 H26 Pd4 S42 -","2","1","","Faulmann, C.; Doublet, M.-L.; Granier, F.; Garreau de Bonneval, B.; Malfant, I.; Legros, J.-P.; Togonidze, T.; Cassoux, P.","Synthesis, electrical behaviour, and crystal and electronic band structures of two different phases of the (SMeEt2)[Pd(dmit)2]2 salt. Consequences of cationic disorder on the electrical properties","Journal of Materials Chemistry","2001","11","9","2205","","10.1039/b102133h","","","0.71073","MoKα","","0.0962","0.0861","","","0.2233","0.2292","","","","","","1.175","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204138","7.7877","0.0012","18.323","0.003","6.2846","0.001","96.8","0.02","112.257","0.018","84.17","0.02","822.5","0.3","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 Pd2 S21 -","- C17 H13 Pd2 S21 -","- C17 H13 Pd2 S21 -","1","0.5","","Faulmann, C.; Doublet, M.-L.; Granier, F.; Garreau de Bonneval, B.; Malfant, I.; Legros, J.-P.; Togonidze, T.; Cassoux, P.","Synthesis, electrical behaviour, and crystal and electronic band structures of two different phases of the (SMeEt2)[Pd(dmit)2]2 salt. Consequences of cationic disorder on the electrical properties","Journal of Materials Chemistry","2001","11","9","2205","","10.1039/b102133h","","","0.71073","MoKα","","0.0368","0.0346","","","0.0925","0.0939","","","","","","1.11","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7204139","7.844","0.005","18.397","0.005","6.32","0.005","97.654","0.005","112.076","0.005","83.572","0.005","835.7","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 Pd2 S21 -","- C17 H13 Pd2 S21 -","- C17 H13 Pd2 S21 -","1","0.5","","Faulmann, C.; Doublet, M.-L.; Granier, F.; Garreau de Bonneval, B.; Malfant, I.; Legros, J.-P.; Togonidze, T.; Cassoux, P.","Synthesis, electrical behaviour, and crystal and electronic band structures of two different phases of the (SMeEt2)[Pd(dmit)2]2 salt. Consequences of cationic disorder on the electrical properties","Journal of Materials Chemistry","2001","11","9","2205","","10.1039/b102133h","","","0.71069","MoKα","","0.057","0.0312","","","0.0702","0.079","","","","","","1.02","","","","has coordinates,has disorder","180372","2020-10-21","18:00:00",""
"7204140","8.581","0.005","8.507","0.006","8.033","0.006","108.39","0.06","112.48","0.05","101.46","0.05","478.9","0.7","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C14 H26 In2 O4 -","- C14 H26 In2 O4 -","- C14 H26 In2 O4 -","1","0.5","","Park, Jin-Ho; Horley, Graeme A.; O'Brien, Paul; Jones, Anthony C.; Motevalli, Majid","The X-ray single crystal structure of [Me2In(acac)]2 and its use as a single-source precursor for the deposition of indium oxide thin films","Journal of Materials Chemistry","2001","11","9","2346","","10.1039/b102212l","","","0.71073","MoKα","","0.0199","0.019","","","0.0501","0.0505","","","","","","1.199","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204141","9.2248","0.0015","14.095","0.002","17.05","0.002","92.524","0.01","105.622","0.009","101.51","","2080.8","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H16 Au2 N8 S8 Se8 -","- C28 H16 Au2 N8 S8 Se8 -","- C56 H32 Au4 N16 S16 Se16 -","2","1","","Morgado, Jorge; Santos, Isabel C.; Veiros, Luís F.; Rodrigues, César; Henriques, Rui T.; Duarte, M. Teresa; Alcácer, Luís; Almeida, Manuel","Preparation, structural, electrical and magnetic properties of tetrathiafulvalene-Au(pds)2 salts (pds = pyrazine-2,3-diselenolate)","Journal of Materials Chemistry","2001","11","9","2108","","10.1039/b102220m","","","0.71069","MoKα","","0.1838","0.0714","","","0.1506","0.2207","","","","","","1.113","","","","has coordinates","180372","2020-10-21","18:00:00",""
"7204142","22.437","0.009","10.981","0.001","10.854","0.005","90","","91.79","0.02","90","","2672.9","1.7","293","2","293","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C8.5 H5 Au0.5 N2 S3 Se2 -","- C8.5 H5 Au0.5 N2 S3 Se2 -","- C68 H40 Au4 N16 S24 Se16 -","8","1","","Morgado, Jorge; Santos, Isabel C.; Veiros, Luís F.; Rodrigues, César; Henriques, Rui T.; Duarte, M. Teresa; Alcácer, Luís; Almeida, Manuel","Preparation, structural, electrical and magnetic properties of tetrathiafulvalene-Au(pds)2 salts (pds = pyrazine-2,3-diselenolate)","Journal of Materials Chemistry","2001","11","9","2108","","10.1039/b102220m","","","0.71069","MoKα","","0.1646","0.0554","","","0.1412","0.1538","","","","","","0.907","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204143","9.775","0.002","20.404","0.002","15.424","0.002","90","","95.25","0.02","90","","3063.4","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H12 Au1.5 N6 S6 Se6 -","- C21 H12 Au1.5 N6 S6 Se6 -","- C84 H48 Au6 N24 S24 Se24 -","4","1","","Morgado, Jorge; Santos, Isabel C.; Veiros, Luís F.; Rodrigues, César; Henriques, Rui T.; Duarte, M. Teresa; Alcácer, Luís; Almeida, Manuel","Preparation, structural, electrical and magnetic properties of tetrathiafulvalene-Au(pds)2 salts (pds = pyrazine-2,3-diselenolate)","Journal of Materials Chemistry","2001","11","9","2108","","10.1039/b102220m","","","0.71069","MoKα","","0.1092","0.0682","","","0.1402","0.1573","","","","","","1.129","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204145","14.603","0.003","6.3722","0.0011","36.335","0.006","90","","90.02","0.01","90","","3381.1","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Quinuclidinium bis(1,3-dithiol-2-thione-4,5-dithiolato)palladium at 298K","","- C19 H14 N Pd2 S20 -","- C19 H14 N Pd2 S20 -","- C76 H56 N4 Pd8 S80 -","4","0.5","","Naito, T.; Inabe, T.; Kobayashi, H.; Kobayashi, A.","A new molecular metal based on Pd(dmit)2: synthesis, structure and electrical properties of (C7H13NH)[Pd(dmit)2]2 (dmit2‒ = 2-thioxo-1,3-dithiole-4,5-dithiolate)","Journal of Materials Chemistry","2001","11","9","2199","","10.1039/b102260c","","","0.71073","MoKα","","0.0834","0.0766","","","0.2465","0.2506","","","","","","1.253","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7204146","14.5","0.02","6.333","0.009","36.13","0.05","90","","90.14","0.1","90","","3318","8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Qinuclidinium bis(1,3-dithiol-2-thione-4,5-dithiolato)palladium at 150K","","- C19 H14 N Pd2 S20 -","- C19 H14 N Pd2 S20 -","- C76 H56 N4 Pd8 S80 -","4","0.5","","Naito, T.; Inabe, T.; Kobayashi, H.; Kobayashi, A.","A new molecular metal based on Pd(dmit)2: synthesis, structure and electrical properties of (C7H13NH)[Pd(dmit)2]2 (dmit2‒ = 2-thioxo-1,3-dithiole-4,5-dithiolate)","Journal of Materials Chemistry","2001","11","9","2199","","10.1039/b102260c","","","0.71073","MoKα","","0.1424","0.1247","","","0.3151","0.3269","","","","","","1.146","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7204147","15.798","0.001","4.8939","0.0003","17.99","0.001","90","","114.816","0.004","90","","1262.44","0.14","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- Al1.75 Ce3 N9.25 O5.75 Si6.25 -","- Al1.76 Ce3 N9.22 O5.78 Si6.24 -","- Al7.04 Ce12 N36.88 O23.12 Si24.96 -","4","0.5","","Grins, Jekabs; Shen, Zhijian; Esmaeilzadeh, Saeid; Berastegui, Pedro","The structures of the Ce and La N-phases RE3Si8 ‒ xAlxN11 ‒ xO4 + x (x≈ 1.75 for RE = Ce, x ≈ 1.5 for RE = La), determined by single-crystal X-ray and time-of-flight neutron powder diffraction, respectively","Journal of Materials Chemistry","2001","11","9","2358","","10.1039/b102340n","","","0.71073","MoKα","","0.0446","0.0313","","","0.0639","0.0671","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204148","7.987","0.002","10.3","0.003","10.806","0.003","118.308","0.004","106.121","0.004","94.752","0.004","727.3","0.3","158","2","158","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C34 H32 N4 O8 -","2","1","","Kay, A. J.; Woolhouse, A. D.; Gainsford, G. J.; Haskell, T. G.; Wyss, C. P.; Giffin, S. M.; McKinnie, I. T.; Barnes, T. H.","Simple zwitterionic merocyanines as potential NLO chromophores","Journal of Materials Chemistry","2001","11","9","2271","","10.1039/b103148c","","","0.71073","MoKα","","0.0449","0.0392","","","0.1079","0.1116","","","","","","1.084","","","","has coordinates,has disorder","180372","2020-10-21","18:00:00",""
"7204153","7.737","0.008","10.309","0.007","11.812","0.008","105.97","0.08","104.33","0.11","97.56","0.11","857.2","1.4","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H25 N Ni O5 -","- C14 H25 N Ni O5 -","- C28 H50 N2 Ni2 O10 -","2","1","","Williams, Paul A.; Jones, Anthony C.; Bickley, Jamie F.; Steiner, Alexander; Davies, Hywel O.; Leedham, Timothy J.; Impey, Susan A.; Garcia, Joanne; Allen, Stephen; Rougier, Aline; Blyr, Alexandra","Synthesis and crystal structures of dimethylaminoethanol adducts of Ni(ii) acetate and Ni(ii) acetylacetonate. Precursors for the sol‒gel deposition of electrochromic nickel oxide thin films","Journal of Materials Chemistry","2001","11","9","2329","","10.1039/b103288g","","","0.71073","MoKα","","0.0651","0.0463","","","0.1063","0.1141","","","","","","0.925","","","","has coordinates","180372","2020-10-21","18:00:00",""
"7204154","8.2993","0.0014","8.5256","0.0014","13.017","0.002","95.917","0.019","95.92","0.02","109.469","0.019","854.4","0.3","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H28 N2 Ni O6 -","- C12 H28 N2 Ni O6 -","- C24 H56 N4 Ni2 O12 -","2","1","","Williams, Paul A.; Jones, Anthony C.; Bickley, Jamie F.; Steiner, Alexander; Davies, Hywel O.; Leedham, Timothy J.; Impey, Susan A.; Garcia, Joanne; Allen, Stephen; Rougier, Aline; Blyr, Alexandra","Synthesis and crystal structures of dimethylaminoethanol adducts of Ni(ii) acetate and Ni(ii) acetylacetonate. Precursors for the sol‒gel deposition of electrochromic nickel oxide thin films","Journal of Materials Chemistry","2001","11","9","2329","","10.1039/b103288g","","","0.71073","MoKα","","0.0473","0.0333","","","0.0727","0.0755","","","","","","0.914","","","","has coordinates","180372","2020-10-21","18:00:00",""
"7204158","11.2089","0.0007","11.2083","0.0006","8.4747","0.0005","90","","90","","90","","1064.7","0.11","293","2","293","2","","","","","","","","4","I m m 2","I 2 -2","44","","","","- C8 Cd2 O22.31 Zr -","- C8 Cd2 O22.31 Zr -","- C16 Cd4 O44.62 Zr2 -","2","0.25","","Jeanneau, Erwann; Audebrand, Nathalie; Auffrédic, Jean-Paul; Louër, Daniel","Crystal structure, thermal behaviour and zeolitic properties of Cd2Zr(C2O4)4·(4 + n)H2O","Journal of Materials Chemistry","2001","11","10","2545","","10.1039/b103711k","","","0.71073","MoKα","","0.1011","0.0677","","","0.1719","0.192","","","","","","1.09","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204162","12.633","0.003","3.901","0.003","18.557","0.002","90","","104.24","0.01","90","","886.4","0.7","296.2","","296.2","","","","","","","","synthesized","4","P 1 21/c 1","-P 2ybc","14","TSTeF-TCNQ","","","- C18 H8 N4 Se4 -","- C18 H8 N4 Se4.54 -","- C36 H16 N8 Se9.08 -","2","0.5","","Morikami, Atsushi; Takimiya, Kazuo; Aso, Yoshio; Otsubo, Tetsuo","Novel tellurium containing fulvalene-type electron donors, triselenatellurafulvalene (TSTeF) and diselenaditellurafulvalene (DSDTeF); synthesis, conductivities and crystal structures of their TCNQ complexes","Journal of Materials Chemistry","2001","11","10","2431","","10.1039/b104402h","","","0.7107","MoKα","","0.0241","0.0241","","","0.0215","0.0215","","","","","","2.881","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204163","7.271","0.003","16.735","0.009","3.876","0.002","96.38","0.05","98.17","0.04","87.04","0.04","463.6","0.4","296.2","","296.2","","","","","","","","synthesized","5","P -1","-P 1","2","DSDTeF-TCNQ","","","- C18 H8 N4 Se2 Te2 -","- C18 H8 N4 Se2 Te2 -","- C18 H8 N4 Se2 Te2 -","1","0.5","","Morikami, Atsushi; Takimiya, Kazuo; Aso, Yoshio; Otsubo, Tetsuo","Novel tellurium containing fulvalene-type electron donors, triselenatellurafulvalene (TSTeF) and diselenaditellurafulvalene (DSDTeF); synthesis, conductivities and crystal structures of their TCNQ complexes","Journal of Materials Chemistry","2001","11","10","2431","","10.1039/b104402h","","","0.7107","MoKα","","0.0516","0.0516","","","0.0518","0.0518","","","","","","4.118","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204164","9.088","0.003","10.845","0.003","8.875","0.003","106.46","0.03","109.79","0.03","104.14","0.03","731.1","0.5","296.2","","296.2","","","","","","","","synthesized","4","P -1","-P 1","2","DSDTeF","","","- C6 H4 Se2 Te2 -","- C6 H4 Se2.33333 Te1.78667 -","- C18 H12 Se7 Te5.36 -","3","1.5","","Morikami, Atsushi; Takimiya, Kazuo; Aso, Yoshio; Otsubo, Tetsuo","Novel tellurium containing fulvalene-type electron donors, triselenatellurafulvalene (TSTeF) and diselenaditellurafulvalene (DSDTeF); synthesis, conductivities and crystal structures of their TCNQ complexes","Journal of Materials Chemistry","2001","11","10","2431","","10.1039/b104402h","","","0.7107","MoKα","","0.0381","0.0378","","","0.0436","0.0437","","","","","","3.157","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204166","6.651","0.0003","9.343","0.0006","14.512","0.001","87.687","0.003","84.096","0.004","89.066","0.004","896.2","0.09","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C3 H20 Mn2 N3 O16 P4 -","- C3 H18 Mn2 N3 O16 P4 -","- C6 H36 Mn4 N6 O32 P8 -","2","1","","Ann M. Chippindale; Fabrice O. M. Gaslain; Andrew R. Cowley; Anthony V. Powell","Synthesis and characterisation of a layered organically-templated manganese phosphate, [Mn2(HPO4)3]·(NH3(CH2)2NH3)3/2·H2PO4, and its reaction with water","J. Mater. Chem.","2001","11","12","3172","3179","10.1039/b104491p","","","0.71069","MoKα","","","0.0409","","","0.0462","","","","","1.0398","1.0398","","","","","has coordinates","288252","2023-12-12","14:26:25",""
"7204167","17.5592","0.0004","12.9874","0.0002","6.6031","0.0001","90","","112.004","0.001","90","","1396.14","0.04","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C9 H15 Fe1.5 O12 -","- C9 H3 Fe1.5 O12 -","- C36 H12 Fe6 O48 -","4","1","","Myriam Riou-Cavellec; Catherine Albinet; Jean-Marc Grenèche; Gérard Férey","Study of the iron/trimesic acid system for the hydrothermal synthesis of hybrid materials","J. Mater. Chem.","","11","12","3166","3171","10.1039/b104495h","","","0.71073","MoKα","","0.0609","0.0578","","0.1606","0.154","","","","1.056","1.04","1.04","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204168","5.1572","0.0003","13.0703","0.0008","15.2673","0.001","90","","97.209","0.002","90","","1020.97","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 Fe0.5 O8 -","- C9 H9 Fe0.5 O8 -","- C36 H36 Fe2 O32 -","4","1","","Myriam Riou-Cavellec; Catherine Albinet; Jean-Marc Grenèche; Gérard Férey","Study of the iron/trimesic acid system for the hydrothermal synthesis of hybrid materials","J. Mater. Chem.","","11","12","3166","3171","10.1039/b104495h","","","0.71073","MoKα","","0.0894","0.0514","","0.1297","0.1111","","","","1.032","1.094","1.094","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204171","17.014","0.0004","11.214","0.0003","18.405","0.0004","90","","112.716","0.002","90","","3239.19","0.14","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","2'-deoxy-3',5'-O-bis(triisopropylsilyl)-guanosine","","- C28 H53 N5 O4 Si2 -","- C28 H53 N5 O4 Si2 -","- C112 H212 N20 O16 Si8 -","4","2","","Takafumi Sato; Masayuki Seko; Ryoichi Takasawa; Isao Yoshikawa; Koji Araki","Mesoscopic-scale sheet-like assembly: critical role of inter-tape hydrogen bonds in the organogel formation and gel‒liquid crystal transition of an alkylsilylated deoxyguanosine‒dodecane system","J. Mater. Chem.","","11","12","3018","3022","10.1039/b105000c","","","1.54184","CuKα","","0.0552","0.0547","","","0.1514","0.1535","","","","","","1.052","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204172","9.53","0.0001","11.075","0.0001","39.422","0.0003","90","","90","","90","","4160.79","0.07","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2'-deoxy-3',5'-O-bis(tert-butyldiphenylsilyl)-guanosine","","- C42 H49 N5 O4 Si2 -","- C42 H49 N5 O4 Si2 -","- C168 H196 N20 O16 Si8 -","4","1","","Takafumi Sato; Masayuki Seko; Ryoichi Takasawa; Isao Yoshikawa; Koji Araki","Mesoscopic-scale sheet-like assembly: critical role of inter-tape hydrogen bonds in the organogel formation and gel‒liquid crystal transition of an alkylsilylated deoxyguanosine‒dodecane system","J. Mater. Chem.","","11","12","3018","3022","10.1039/b105000c","","","1.54184","CuKα","","0.0658","0.0637","","","0.1776","0.1885","","","","","","1.044","","","","has coordinates","213974","2020-10-21","18:00:00",""
"7204174","10.7076","0.0005","13.6925","0.0005","15.3195","0.0006","65.773","0.002","70.237","0.002","88.749","0.002","1909.62","0.14","123","2","123","2","","","","","","","","5","P -1","-P 1","2","p-tetrakis(4-nitrophenylazo)-tetrahydroxythiacalix[4]arene","p-tetrakis(4-nitrophenylazo)-tetrahydroxythiacalix[4]arene","","- C83 H63 N19 O12 S4 -","- C83 H63 N19 O12 S4 -","- C83 H63 N19 O12 S4 -","1","0.5","","Cédric Desroches; Stéphane Parola; Francis Vocanson; Noëlle Ehlinger; Philippe Miele; Roger Lamartine; Jean Bouix; Anders Eriksson; Mikael Lindgren; Cesar Lopes","Synthesis, characterization and optical power limiting behaviour of phenylazo- and 4-nitrophenylazo-tetrahydroxytetrathiacalix[4]arene","J. Mater. Chem.","","11","12","3014","3017","10.1039/b105034f","","","0.71073","MoKα","","0.1571","0.0764","","","0.1906","0.2409","","","","","","1.012","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7204176","12.351","0.002","23.632","0.004","7.603","0.001","90","0","101.47","0.01","90","0","2174.8","0.6","298","","","","","","","","","","Local laboratory","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H11 N4 O S4 -","- C26 H11 N4 O S4 -","- C104 H44 N16 O4 S16 -","4","1","","Sekizaki, Shuichi; Tada, Chiyoko; Yamochi, Hideki; Saito, Gunzi","Structural aspects of a series of cation radical salts of tetrathiotetracene (TTT) with 2-alkoxy-1,1,3,3-tetracyanoallyl anions (RO-TCA‒; R = Me, Et, Prn, Bun)","Journal of Materials Chemistry","2001","11","9","2293","","10.1039/b105340j","","","0.71073","MoK-alpha","","","0.041","","","0.046","","","","","2.303","2.303","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204177","7.573","0.001","14.909","0.001","23.061","0.002","74.423","0.004","88.636","0.005","83.511","0.005","2492","0.4","298","","","","","","","","","","Local laboratory","5","P -1","-P 1","2","","","","- C27 H15 N4 O1.25 S4 -","- C28 H13 N4 O1.25 S4 -","- C112 H52 N16 O5 S16 -","4","2","","Sekizaki, Shuichi; Tada, Chiyoko; Yamochi, Hideki; Saito, Gunzi","Structural aspects of a series of cation radical salts of tetrathiotetracene (TTT) with 2-alkoxy-1,1,3,3-tetracyanoallyl anions (RO-TCA‒; R = Me, Et, Prn, Bun)","Journal of Materials Chemistry","2001","11","9","2293","","10.1039/b105340j","","","0.71073","MoK-alpha","","","0.039","","","0.042","","","","","1.289","1.289","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204178","20.971","0.007","21.949","0.008","14.078","0.005","90","0","128.7","0.02","90","0","5057","3","298","","","","","","","","","","Local laboratory","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H17 N4 O S4 -","- C29 H17 N4 O S4 -","- C232 H136 N32 O8 S32 -","8","1","","Sekizaki, Shuichi; Tada, Chiyoko; Yamochi, Hideki; Saito, Gunzi","Structural aspects of a series of cation radical salts of tetrathiotetracene (TTT) with 2-alkoxy-1,1,3,3-tetracyanoallyl anions (RO-TCA‒; R = Me, Et, Prn, Bun)","Journal of Materials Chemistry","2001","11","9","2293","","10.1039/b105340j","","","0.71073","MoK-alpha","","","0.048","","","0.047","","","","","2.742","2.742","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204179","11.969","0.002","12.06","0.002","11.166","0.002","73.67","0.01","84.16","0.01","59.91","0.008","1336.8","0.4","298","","","","","","","","","","Local laboratory","5","P -1","-P 1","2","","","","- C30 H19 N4 O1.5 S4 -","- C30 H15 N4 O1.5 S4 -","- C60 H30 N8 O3 S8 -","2","1","","Sekizaki, Shuichi; Tada, Chiyoko; Yamochi, Hideki; Saito, Gunzi","Structural aspects of a series of cation radical salts of tetrathiotetracene (TTT) with 2-alkoxy-1,1,3,3-tetracyanoallyl anions (RO-TCA‒; R = Me, Et, Prn, Bun)","Journal of Materials Chemistry","2001","11","9","2293","","10.1039/b105340j","","","0.71073","MoK-alpha","","","0.083","","","0.08","","","","","1.767","1.767","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204180","7.814","0.001","8.649","0.002","14.448","0.002","105.06","0.01","91.61","0.01","116.51","0.01","832","0.3","298","","","","","","","","","","Local laboratory","5","P -1","-P 1","2","","","","- C36 H18 N8 O2 S4 -","- C36 H18 N8 O2 S4 -","- C36 H18 N8 O2 S4 -","1","0.5","","Sekizaki, Shuichi; Tada, Chiyoko; Yamochi, Hideki; Saito, Gunzi","Structural aspects of a series of cation radical salts of tetrathiotetracene (TTT) with 2-alkoxy-1,1,3,3-tetracyanoallyl anions (RO-TCA‒; R = Me, Et, Prn, Bun)","Journal of Materials Chemistry","2001","11","9","2293","","10.1039/b105340j","","","0.71073","MoK-alpha","","","0.049","","","0.049","","","","","0.65","0.65","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204181","7.915","0.002","8.923","0.004","14.943","0.004","108.34","0.02","90.04","0.02","117.84","0.02","872","0.6","298","","","","","","","","","","Local laboratory","5","P -1","-P 1","2","","","","- C38 H22 N8 O2 S4 -","- C38 H22 N8 O2 S4 -","- C38 H22 N8 O2 S4 -","1","0.5","","Sekizaki, Shuichi; Tada, Chiyoko; Yamochi, Hideki; Saito, Gunzi","Structural aspects of a series of cation radical salts of tetrathiotetracene (TTT) with 2-alkoxy-1,1,3,3-tetracyanoallyl anions (RO-TCA‒; R = Me, Et, Prn, Bun)","Journal of Materials Chemistry","2001","11","9","2293","","10.1039/b105340j","","","0.71073","MoK-alpha","","","0.05","","","0.052","","","","","0.822","0.822","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204182","10.357","0.003","12.243","0.008","14.085","0.009","74.74","0.05","69.26","0.04","73.11","0.04","1572.3","1.6","298","","","","","","","","","","Local laboratory","5","P -1","-P 1","2","","","","- C74 H38 N8 O2 S12 -","- C74 H38 N8 O2 S12 -","- C74 H38 N8 O2 S12 -","1","0.5","","Sekizaki, Shuichi; Tada, Chiyoko; Yamochi, Hideki; Saito, Gunzi","Structural aspects of a series of cation radical salts of tetrathiotetracene (TTT) with 2-alkoxy-1,1,3,3-tetracyanoallyl anions (RO-TCA‒; R = Me, Et, Prn, Bun)","Journal of Materials Chemistry","2001","11","9","2293","","10.1039/b105340j","","","0.71073","MoK-alpha","","","0.05","","","0.048","","","","","2.104","2.104","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204931","13.036","0.003","8.7286","0.0017","12.938","0.003","90","","90","","90","","1472.2","0.6","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","sodium zinc germanate hydroxide hydrate","","","- Ge2 H4 Na2 O8 Zn -","- Ge4 H8 Na4 O16 Zn2 -","- Ge16 H32 Na16 O64 Zn8 -","4","0.5","","Reisner, Barbara A.; Tripathi, Akhilesh; Parise, John B.","Na8[Zn4Ge8O18(OH)12]·2H2O: An interrupted-framework zincogermanate built from [GeO3(OH)] and [Ge2(OH)2] units","Journal of Materials Chemistry","2001","11","3","887","","10.1039/b004668j","","","0.71073","MoKα","","0.0595","0.0434","","","0.1206","0.1293","","","","","","1.06","","","","has coordinates","288259","2023-12-12","16:04:06",""
"7204932","46.295","0.005","5.334","0.001","20.156","0.002","90","","94.11","0.01","90","","4964.5","1.2","170","2","170","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H16 F52 S4 Sn -","- C32 H16 F52 S4 Sn -","- C128 H64 F208 S16 Sn4 -","4","0.5","","Hibbert, Tom G.; Mahon, Mary F.; Molloy, Kieran C.; Price, Louise S.; Parkin, Ivan P.","Deposition of tin sulfide thin films from novel, volatile (fluoroalkythiolato)tin(iv) precursors","Journal of Materials Chemistry","2001","11","2","469","","10.1039/b005863g","","","0.71069","MoKα","","0.0479","0.0319","","","0.0839","0.0897","","","","","","0.869","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204933","17.192","0.001","8.553","0.002","8.342","0.001","90","","90","","90","","1226.6","0.3","293","2","293","2","","","","","","","","4","P b a 2","P 2 -2ab","32","","","","- C24 H20 S4 Sn -","- C24 H20 S4 Sn -","- C48 H40 S8 Sn2 -","2","0.5","","Barone, Giampaolo; Hibbert, Tom G.; Mahon, Mary F.; Molloy, Kieran C.; Price, Louise S.; Parkin, Ivan P.; Hardy, Amanda M. E.; Field, Mark N.","Deposition of tin sulfide thin films from tin(iv) thiolate precursors","Journal of Materials Chemistry","2001","11","2","464","","10.1039/b005888m","","","0.7093","","","0.0872","0.0527","","0.1494","0.1179","","","","1.073","1.244","1.244","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204934","5.481","0.004","6.791","0.008","35.877","0.029","90","","90","","90","","1335","2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C56 H60 N12 O8 -","4","1","","Langley, Philip J.; Bailey, Ray T.; Cruickshank, Frank R.; Kennedy, Alan R.; Lochran, Stephen; Pugh, David; Sherwood, John N.; Viikki, Anna; Wallis, John D.","Synthesis, characterisation and structure‒property analysis of derivatives of the non-linear optical material 5-nitro-N-(1-phenylethyl)pyridin-2-amine","Journal of Materials Chemistry","2001","11","4","1047","","10.1039/b008124h","","","0.71069","MoKα","","0.0765","0.0573","","0.1794","0.1718","","","","1.234","1.318","1.318","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204935","11.415","0.0007","10.6973","0.0005","16.935","0.002","90","","102.638","0.009","90","","2017.8","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C84 H90 N18 O12 -","6","3","","Langley, Philip J.; Bailey, Ray T.; Cruickshank, Frank R.; Kennedy, Alan R.; Lochran, Stephen; Pugh, David; Sherwood, John N.; Viikki, Anna; Wallis, John D.","Synthesis, characterisation and structure‒property analysis of derivatives of the non-linear optical material 5-nitro-N-(1-phenylethyl)pyridin-2-amine","Journal of Materials Chemistry","2001","11","4","1047","","10.1039/b008124h","","","0.71069","MoKα","","0.0635","0.0501","","0.1288","0.1186","","","","0.661","0.713","0.713","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204936","8.979","0.001","15.977","0.002","9.41","0.002","90","","96.52","0.01","90","","1341.2","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C56 H60 N12 O8 -","4","2","","Langley, Philip J.; Bailey, Ray T.; Cruickshank, Frank R.; Kennedy, Alan R.; Lochran, Stephen; Pugh, David; Sherwood, John N.; Viikki, Anna; Wallis, John D.","Synthesis, characterisation and structure‒property analysis of derivatives of the non-linear optical material 5-nitro-N-(1-phenylethyl)pyridin-2-amine","Journal of Materials Chemistry","2001","11","4","1047","","10.1039/b008124h","","","0.71069","MoKα","","0.0643","0.0481","","0.1351","0.1101","","","","0.942","1.029","1.029","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204937","6.9781","0.0011","22.337","0.004","8.3899","0.0012","90","","91.149","0.012","90","","1307.5","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N3 O2 -","- C14 H15 N3 O2 -","- C56 H60 N12 O8 -","4","1","","Langley, Philip J.; Bailey, Ray T.; Cruickshank, Frank R.; Kennedy, Alan R.; Lochran, Stephen; Pugh, David; Sherwood, John N.; Viikki, Anna; Wallis, John D.","Synthesis, characterisation and structure‒property analysis of derivatives of the non-linear optical material 5-nitro-N-(1-phenylethyl)pyridin-2-amine","Journal of Materials Chemistry","2001","11","4","1047","","10.1039/b008124h","","","0.71069","MoKα","","0.0663","0.0398","","","0.1006","0.1188","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7204938","10.348","0.0006","15.55","0.001","9.261","0.0005","98.125","0.005","107.703","0.004","75.622","0.003","1371.67","0.14","293.2","","293.2","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H26 Cl F2 I2 S24 -","- C40 H26 Cl0.5 F2 I2 S24 -","- C40 H26 Cl0.5 F2 I2 S24 -","1","0.5","","Yamamoto, Hiroshi M.; Maeda, Ryoko; Yamaura, Jun-Ichi; Kato, Reizo","Structural and physical properties of conducting cation radical salts containing supramolecular assemblies based on p-bis(iodoethynyl)benzene derivatives","Journal of Materials Chemistry","2001","11","4","1034","","10.1039/b008170l","","","0.7107","MoKα","","","0.0327","","","0.0408","","","","","2.762","2.762","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204939","10.353","0.001","15.387","0.002","9.394","0.001","98.466","0.007","107.504","0.008","76.364","0.008","1382.2","0.3","293.2","","293.2","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H26 Br F2 I2 S24 -","- C40 H26 Br0.5 F2 I2 S24 -","- C40 H26 Br0.5 F2 I2 S24 -","1","0.5","","Yamamoto, Hiroshi M.; Maeda, Ryoko; Yamaura, Jun-Ichi; Kato, Reizo","Structural and physical properties of conducting cation radical salts containing supramolecular assemblies based on p-bis(iodoethynyl)benzene derivatives","Journal of Materials Chemistry","2001","11","4","1034","","10.1039/b008170l","","","0.7107","MoKα","","0.1649","0.1413","","0.3765","","","","","0.931","","","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204940","10.198","0.001","15.559","0.002","9.296","0.001","99.634","0.006","106.931","0.007","76.581","0.007","1364.6","0.3","293.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H28 Cl I2 S24 -","- C40 H28 Cl I2 S24 -","- C40 H28 Cl I2 S24 -","1","0.5","","Yamamoto, Hiroshi M.; Maeda, Ryoko; Yamaura, Jun-Ichi; Kato, Reizo","Structural and physical properties of conducting cation radical salts containing supramolecular assemblies based on p-bis(iodoethynyl)benzene derivatives","Journal of Materials Chemistry","2001","11","4","1034","","10.1039/b008170l","","","0.7107","MoKα","","","0.0702","","","","0.0753","","","","","","3.83","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204941","10.193","0.002","15.034","0.003","9.423","0.002","95.75","0.02","106.92","0.02","86.66","0.02","1373.9","0.5","293.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H28 Br I2 S24 -","- C40 H28 Br I2 S24 -","- C40 H28 Br I2 S24 -","1","0.5","","Yamamoto, Hiroshi M.; Maeda, Ryoko; Yamaura, Jun-Ichi; Kato, Reizo","Structural and physical properties of conducting cation radical salts containing supramolecular assemblies based on p-bis(iodoethynyl)benzene derivatives","Journal of Materials Chemistry","2001","11","4","1034","","10.1039/b008170l","","","0.7107","MoKα","","","0.0797","","","","0.1008","","","","","","2.335","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204942","13.18","0.001","19.128","0.002","12.464","0.0006","105.25","0.004","112.817","0.005","82.455","0.004","2792.9","0.4","293.2","","293.2","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H24 Br F4 I2 S24 -","- C40 H24 Br F4 I2 S24 -","- C80 H48 Br2 F8 I4 S48 -","2","1","","Yamamoto, Hiroshi M.; Maeda, Ryoko; Yamaura, Jun-Ichi; Kato, Reizo","Structural and physical properties of conducting cation radical salts containing supramolecular assemblies based on p-bis(iodoethynyl)benzene derivatives","Journal of Materials Chemistry","2001","11","4","1034","","10.1039/b008170l","","","0.7107","MoKα","","","0.0383","","","0.0421","","","","","2.157","2.157","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7204943","23.072","0.002","14.695","0.001","6.277","0.0003","90","","96.928","0.005","90","","2112.6","0.3","293.2","","293.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 Cl2 I2 S16 -","- C32 H24 Cl2 I2 S16 -","- C64 H48 Cl4 I4 S32 -","2","0.5","","Yamamoto, Hiroshi M.; Maeda, Ryoko; Yamaura, Jun-Ichi; Kato, Reizo","Structural and physical properties of conducting cation radical salts containing supramolecular assemblies based on p-bis(iodoethynyl)benzene derivatives","Journal of Materials Chemistry","2001","11","4","1034","","10.1039/b008170l","","","0.7107","MoKα","","","0.0463","","","0.0518","","","","","3.537","3.537","","","","","has coordinates","212870","2020-10-21","18:00:00",""
"7204945","10.2793","0.0008","11.5639","0.0009","7.4822","0.0006","90","","90","","90","","889.4","0.12","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C4 H4 Co N2 O6 V2 -","- C4 H4 Co N2 O6 V2 -","- C16 H16 Co4 N8 O24 V8 -","4","0.5","","Zheng, Li-Min; Wang, Xiqu; Wang, Yongsheng; Jacobson, Allan J.","Syntheses and characterization of Co2(4,4'-bipy)2(V4O12), Co(pz)(VO3)2 and Co2(2-pzc)(H2O)(VO3)3 (4,4'-bipy = 4,4'-bipyridine, pz = pyrazine, 2-pzc = 2-pyrazinecarboxylate)","Journal of Materials Chemistry","2001","11","4","1100","","10.1039/b009091n","","","0.71073","MoKα","","0.036","0.0273","","0.0626","0.0596","","","","1.058","1.085","1.085","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204946","8.164","0.002","8.587","0.002","10.162","0.002","87.04","0.03","75.72","0.03","75.02","0.03","666.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H8 Co N2 O6 V2 -","- C10 H8 Co N2 O6 V2 -","- C20 H16 Co2 N4 O12 V4 -","2","1","","Zheng, Li-Min; Wang, Xiqu; Wang, Yongsheng; Jacobson, Allan J.","Syntheses and characterization of Co2(4,4'-bipy)2(V4O12), Co(pz)(VO3)2 and Co2(2-pzc)(H2O)(VO3)3 (4,4'-bipy = 4,4'-bipyridine, pz = pyrazine, 2-pzc = 2-pyrazinecarboxylate)","Journal of Materials Chemistry","2001","11","4","1100","","10.1039/b009091n","","","0.71073","MoKα","","0.0401","0.0327","","0.0822","0.0784","","","","1.029","1.049","1.049","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204947","15.253","0.0012","8.2554","0.0007","10.6784","0.0009","90","","90","","90","","1344.62","0.19","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C5 H5 Co2 N2 O12 V3 -","- C5 H5 Co2 N2 O12 V3 -","- C20 H20 Co8 N8 O48 V12 -","4","1","","Zheng, Li-Min; Wang, Xiqu; Wang, Yongsheng; Jacobson, Allan J.","Syntheses and characterization of Co2(4,4'-bipy)2(V4O12), Co(pz)(VO3)2 and Co2(2-pzc)(H2O)(VO3)3 (4,4'-bipy = 4,4'-bipyridine, pz = pyrazine, 2-pzc = 2-pyrazinecarboxylate)","Journal of Materials Chemistry","2001","11","4","1100","","10.1039/b009091n","","","0.71073","MoKα","","0.0322","0.0265","","0.0597","0.0581","","","","1.04","1.07","1.07","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204948","10.0083","0.0009","10.14","0.001","10.569","0.002","90","","93.89","0.01","90","","1070.1","0.2","293","","293","","","","","","","","Hydrothermal synthezis","5","P 1 21/a 1","-P 2yab","14","","Lead Vanadium(V) Monophosphate Hydrate","","- H4 O14 P2 Pb2 V2 -","- O14 P2 Pb2 V2 -","- O56 P8 Pb8 V8 -","4","1","","Leclaire, Andre; Chardon, Josiane; Raveau, Bernard","Hydrothermal synthesis and crystal structure of a lead vanadium monophosphate hydrate with an open structure: Pb2V2O4(PO4)2·2H2O","Journal of Materials Chemistry","2001","11","5","1482","","10.1039/b009367j","","","0.71073","xray_tube","","","0.0285","","","","0.0239","","","","","","1.341","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7204953","8.5441","0.0002","8.9831","0.0002","9.0836","0.0002","90","","91.2411","0.0015","90","","697.03","0.03","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- H4 Na4 O36 P8 V4 Zn4 -","- Na4 O36 P8 V4 Zn4 -","- Na4 O36 P8 V4 Zn4 -","1","0.25","","Le Fur, E.; Moreno, Y.; Pivan, J. Y.","On the new oxovanadium phosphate NaZnVOPO4(HPO4) obtained at 510 K from hydrothermal treatment","Journal of Materials Chemistry","2001","11","6","1735","","10.1039/b009952j","","","0.71073","MoKalpha","","0.0286","0.0259","","0.0692","0.068","","","","1.228","1.253","1.253","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204954","9.2994","0.0004","9.751","0.0004","14.3348","0.0006","90","","90.974","0.001","90","","1299.67","0.09","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C6 H27 N4 O21 P5 Zn5 -","- C6 H27 N4 O21 P5 Zn5 -","- C12 H54 N8 O42 P10 Zn10 -","2","1","","Choudhury, Amitava; Neeraj, S.; Natarajan, Srinivasan; Rao, C. N. R.","Transformations of the low-dimensional zinc phosphates to complex open-framework structures. Part 2: one-dimensional ladder to two- and three-dimensional structures","Journal of Materials Chemistry","2001","11","5","1537","","10.1039/b010001n","","","0.71073","MoKα","","0.0306","0.028","","0.0646","0.0636","","","","1.051","1.068","1.068","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204955","5.1971","0.0006","7.6972","0.0009","17.336","0.002","90","","90.618","0.002","90","","693.45","0.14","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 N2 O4 P Zn -","- C3 H5 N2 O4 P Zn -","- C12 H20 N8 O16 P4 Zn4 -","4","1","","Choudhury, Amitava; Neeraj, S.; Natarajan, Srinivasan; Rao, C. N. R.","Transformations of the low-dimensional zinc phosphates to complex open-framework structures. Part 2: one-dimensional ladder to two- and three-dimensional structures","Journal of Materials Chemistry","2001","11","5","1537","","10.1039/b010001n","","","0.71073","MoKα","","0.0524","0.0434","","0.1326","0.1179","","","","1.334","1.256","1.256","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204956","8.6145","0.0009","9.6187","0.001","17.038","0.002","90","","93.571","0.002","90","","1409","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H15 N2 O12 P3 Zn2 -","- C4 H20 N2.66667 O16 P4 Zn2.66667 -","- C12 H60 N8 O48 P12 Zn8 -","3","0.75","","Choudhury, Amitava; Neeraj, S.; Natarajan, Srinivasan; Rao, C. N. R.","Transformations of the low-dimensional zinc phosphates to complex open-framework structures. Part 2: one-dimensional ladder to two- and three-dimensional structures","Journal of Materials Chemistry","2001","11","5","1537","","10.1039/b010001n","","","0.71073","MoKα","","0.0833","0.0448","","0.1368","0.1013","","","","1.068","0.961","0.961","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204957","17.2792","0.0007","5.1929","0.0002","20.1154","0.0006","90","","92.569","0.002","90","","1803.12","0.11","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C H N O P Zn -","- C0.75 H3.5 N0.5 O4 P Zn -","- C12 H56 N8 O64 P16 Zn16 -","16","2","","Choudhury, Amitava; Neeraj, S.; Natarajan, Srinivasan; Rao, C. N. R.","Transformations of the low-dimensional zinc phosphates to complex open-framework structures. Part 2: one-dimensional ladder to two- and three-dimensional structures","Journal of Materials Chemistry","2001","11","5","1537","","10.1039/b010001n","","","0.71073","MoKα","","0.0447","0.0369","","0.1187","0.0928","","","","1.112","0.947","0.947","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204958","5.2176","0.0002","8.7802","0.0004","16.0811","0.0007","89.34","0.002","83.537","0.001","74.337","0.001","704.7","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C3 H12 N2 O12 P3 Zn3 -","- C3 H12 N2 O12 P3 Zn3 -","- C6 H24 N4 O24 P6 Zn6 -","2","1","","Choudhury, Amitava; Neeraj, S.; Natarajan, Srinivasan; Rao, C. N. R.","Transformations of the low-dimensional zinc phosphates to complex open-framework structures. Part 2: one-dimensional ladder to two- and three-dimensional structures","Journal of Materials Chemistry","2001","11","5","1537","","10.1039/b010001n","","","0.71073","MoKα","","0.0481","0.0423","","0.1222","0.1061","","","","1.062","0.995","0.995","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204959","13.6086","0.0004","13.6086","0.0004","15.2777","0.0008","90","","90","","120","","2450.28","0.16","571","2","571","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C2 H0 N0.83 O4 P Zn1.17 -","- C2 N0.833333 O4 P Zn1.16667 -","- C36 N15 O72 P18 Zn21 -","18","1","","Choudhury, Amitava; Neeraj, S.; Natarajan, Srinivasan; Rao, C. N. R.","Transformations of the low-dimensional zinc phosphates to complex open-framework structures. Part 2: one-dimensional ladder to two- and three-dimensional structures","Journal of Materials Chemistry","2001","11","5","1537","","10.1039/b010001n","","","0.71073","MoKα","","0.0512","0.0433","","0.1622","0.1549","","","","1.449","1.44","1.44","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204960","8.0636","0.0009","8.4566","0.001","9.0234","0.0011","111.941","0.002","107.957","0.002","103.649","0.002","498.09","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C3 H11 N2 O8 P2 Zn2 -","- C3 H11 N2 O8 P2 Zn2 -","- C6 H22 N4 O16 P4 Zn4 -","2","1","","Choudhury, Amitava; Neeraj, S.; Natarajan, Srinivasan; Rao, C. N. R.","Transformations of the low-dimensional zinc phosphates to complex open-framework structures. Part 2: one-dimensional ladder to two- and three-dimensional structures","Journal of Materials Chemistry","2001","11","5","1537","","10.1039/b010001n","","","0.71073","MoKα","","0.0542","0.0437","","0.1152","0.1094","","","","1.059","1.104","1.104","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204961","14.772","0.002","8.8271","0.0014","10.107","0.002","90","","131.983","0.002","90","","979.6","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C H5 N O4 P Zn -","- C H5 N O4 P Zn -","- C8 H40 N8 O32 P8 Zn8 -","8","1","","Choudhury, Amitava; Neeraj, S.; Natarajan, Srinivasan; Rao, C. N. R.","Transformations of the low-dimensional zinc phosphates to complex open-framework structures. Part 2: one-dimensional ladder to two- and three-dimensional structures","Journal of Materials Chemistry","2001","11","5","1537","","10.1039/b010001n","","","0.71073","MoKα","","0.0595","0.0433","","0.1022","0.0961","","","","1.037","1.121","1.121","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204962","5.1351","0.0007","10.7598","0.0015","10.7714","0.0015","66.541","0.002","89.025","0.002","81.698","0.002","539.7","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C4 H12 N2 O8 P2 Zn2 -","- C4 H12 N2 O8 P2 Zn2 -","- C8 H24 N4 O16 P4 Zn4 -","2","1","","Choudhury, Amitava; Neeraj, S.; Natarajan, Srinivasan; Rao, C. N. R.","Transformations of the low-dimensional zinc phosphates to complex open-framework structures. Part 2: one-dimensional ladder to two- and three-dimensional structures","Journal of Materials Chemistry","2001","11","5","1537","","10.1039/b010001n","","","0.71073","MoKα","","0.0479","0.0311","","0.0757","0.0697","","","","0.962","1.028","1.028","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204963","5.222","0.0012","12.756","0.004","15.674","0.006","90","","90","","90","","1044.1","0.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C H N O P Zn -","- C1.2 H5.6 N0.8 O3.2 P0.8 Zn0.4 -","- C12 H56 N8 O32 P8 Zn4 -","10","2.5","","Choudhury, Amitava; Neeraj, S.; Natarajan, Srinivasan; Rao, C. N. R.","Transformations of the low-dimensional zinc phosphates to complex open-framework structures. Part 2: one-dimensional ladder to two- and three-dimensional structures","Journal of Materials Chemistry","2001","11","5","1537","","10.1039/b010001n","","","0.71073","MoKα","","0.0268","0.0221","","0.0572","0.0553","","","","1.102","1.085","1.085","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204964","5.2677","0.0005","13.3025","0.0013","14.7833","0.0014","90","","96.049","0.001","90","","1030.15","0.17","298","2","571","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H13 N2 O8 P2 Zn -","- C3 H13 N2 O8 P2 Zn -","- C12 H52 N8 O32 P8 Zn4 -","4","1","","Choudhury, Amitava; Neeraj, S.; Natarajan, Srinivasan; Rao, C. N. R.","Transformations of the low-dimensional zinc phosphates to complex open-framework structures. Part 2: one-dimensional ladder to two- and three-dimensional structures","Journal of Materials Chemistry","2001","11","5","1537","","10.1039/b010001n","","","0.71073","MoKα","","0.0366","0.029","","0.0916","0.0783","","","","1.127","1.033","1.033","","","","","has coordinates","180380","2020-10-21","18:00:00",""
"7204965","18.724","0.004","12.034","0.004","17.318","0.005","90","","96.8","0.02","90","","3874.7","1.9","296.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 N O2 -","- C24 H24 N O2 -","- C192 H192 N8 O16 -","8","1","","Oka, Hiroyuki; Tamura, Tomoki; Miura, Yozo; Teki, Yoshio","Synthesis and characterization of poly(1,3-phenylene)-based polyradicals carrying cyclic aminoxyls","Journal of Materials Chemistry","2001","11","5","1364","","10.1039/b100060h","","","0.7107","MoKα","","","0.0414","","","","0.0368","","","","","","1.641","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7204966","16.708","0.002","16.708","0.002","16.708","0.002","90","","90","","90","","4664.2","1","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- As2 H18 O35 V10 -","- As3 O52.5 V15 -","- As12 O210 V60 -","4","0.0833333","","Zhao, Yongnan; Liu, Qingsheng; Li, Yafeng; Chen, Xiangming; Mai, Zhenhong","Hydrothermal synthesis, structure and catalytic property of a novel open-framework oxovanadium arsenate","Journal of Materials Chemistry","2001","11","6","1553","1554","10.1039/b102336p","","","0.71073","MoKα","","0.1099","0.0569","","0.1392","0.0775","","","","1.133","1.199","1.199","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204967","9.9182","0.0005","29.591","0.002","10.1562","0.0005","90","","109.443","0.002","90","","2810.8","0.3","296.2","","296.2","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C32 H27 Cl7 Mn S24 -","- C31 H30.5 Cl5.5 Mn0.5 S24 -","- C62 H61 Cl11 Mn S48 -","2","0.5","","Naito, Toshio; Inabe, Tamotsu; Takeda, Keiji; Awaga, Kunio; Akutagawa, Tomoyuki; Hasegawa, Tatsuo; Nakamura, Takayoshi; Kakiuchi, Toru; Sawa, Hiroshi; Yamamoto, Takashi; Tajima, Hiroyuki","β″-(ET)3(MnCl4)(1,1,2-C2H3Cl3) (ET = bis(ethylenedithio)tetrathiafulvalene); a pressure-sensitive new molecular conductor with localized spins","Journal of Materials Chemistry","2001","11","9","2221","","10.1039/b102786g","","","0.7107","MoKα","","0.0781","0.0781","","0.0891","","0.0891","","","4.39","","","4.39","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204968","10.983","0.005","12.8986","0.0019","13.627","0.007","83.21","0.02","81.05","0.04","82.2","0.02","1880","1.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H30 Mo3 O9.5 -","- C50 H30 Mo3 O9.5 -","- C100 H60 Mo6 O19 -","2","1","","Clemente-León, Miguel; Coronado, Eugenio; Giménez-Saiz, Carlos; Gómez-García, Carlos J.; Martínez-Ferrero, Eugenia; Almeida, Manuel; Lopes, Elsa B.","Organic/inorganic molecular conductors based upon perylene and Lindquist-type polyoxometalates","Journal of Materials Chemistry","2001","11","9","2176","","10.1039/b103032a","","","0.71069","MoKα","","0.114","0.035","","","0.0779","0.0935","","","","","","0.984","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7204969","10.9272","0.0009","12.7077","0.0011","13.5723","0.0012","82.1386","0.0019","83.3466","0.0018","81.4233","0.0018","1837.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H30 O9.5 V0.5 W2.5 -","- C50 H30 O9.5 V0.51 W2.49 -","- C100 H60 O19 V1.02 W4.98 -","2","1","","Clemente-León, Miguel; Coronado, Eugenio; Giménez-Saiz, Carlos; Gómez-García, Carlos J.; Martínez-Ferrero, Eugenia; Almeida, Manuel; Lopes, Elsa B.","Organic/inorganic molecular conductors based upon perylene and Lindquist-type polyoxometalates","Journal of Materials Chemistry","2001","11","9","2176","","10.1039/b103032a","","","0.71069","MoKα","","0.1128","0.0562","","","0.1272","0.1432","","","","","","0.906","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209462","9.8552","","8.4007","","4.4138","","90","","90","","90","","365.421","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Cr3 (B O6)","","- B Cr3 O6 -","- B Cr3 O6 -","- B4 Cr12 O24 -","4","0.5","","Nazar, L.F.; Rowsell, J.L.C.","Synthesis, structure, and solid-state electrochemical properties of Ce3 B O6: a new chromium(III) borate with the norbergite structure","Journal of Materials Chemistry","2001","11","","3228","3233","10.1039/b100707f","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215589","8.968","0.0003","9.9186","0.0003","10.4833","0.0003","66.002","0.001","87.096","0.001","64.555","0.001","760.5","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl4 N2 O2 U -","- C10 H10 Cl4 N2 O2 U -","- C20 H20 Cl8 N4 O4 U2 -","2","1","","Deifel, Nicholas P.; Cahill, Christopher L.","The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials","CrystEngComm","2009","11","12","2739","","10.1039/b911470j","","","1.54178","CuKα","","0.0212","0.0199","","","0.0538","0.0587","","","","","","1.061","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215590","8.9215","0.0006","9.8582","0.0007","10.3689","0.0007","65.72","0.002","86.22","0.002","64.64","0.002","744.42","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl4 N2 O2 U -","- C10 H10 Cl4 N2 O2 U -","- C20 H20 Cl8 N4 O4 U2 -","2","1","","Deifel, Nicholas P.; Cahill, Christopher L.","The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials","CrystEngComm","2009","11","12","2739","","10.1039/b911470j","","","0.71073","MoKα","","0.0824","0.0337","","","0.0555","0.0652","","","","","","0.998","","","","has coordinates","180486","2020-10-21","18:00:00",""
"7215684","9.434668","0.000279","9.434669","0.000279","6.8893","0.00021","90","","90","","120","","531.08","0.03","298","","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ca9.921 O26 P6 Sr0.079 -","- Ca9.918 O26 P6 Sr0.082 -","- Ca9.918 O26 P6 Sr0.082 -","1","0.0833333","","Terra, Joice; Dourado, Erico Rodrigues; Eon, Jean-Guillaume; Ellis, Donald E.; Gonzalez, Gabriela; Rossi, Alexandre Malta","The structure of strontium-doped hydroxyapatite: an experimental and theoretical study.","Physical chemistry chemical physics : PCCP","2009","11","3","568","577","10.1039/b802841a","powder diffraction","","0.13845","synchrotron","","","","","","","","","2.1246","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215685","9.452039","0.000276","9.452039","0.000276","6.904128","0.000208","90","","90","","120","","534.18","0.03","298","","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ca9.569 O26 P6 Sr0.431 -","- Ca9.566 O26 P6 Sr0.434 -","- Ca9.566 O26 P6 Sr0.434 -","1","0.0833333","","Terra, Joice; Dourado, Erico Rodrigues; Eon, Jean-Guillaume; Ellis, Donald E.; Gonzalez, Gabriela; Rossi, Alexandre Malta","The structure of strontium-doped hydroxyapatite: an experimental and theoretical study.","Physical chemistry chemical physics : PCCP","2009","11","3","568","577","10.1039/b802841a","powder diffraction","","0.13845","synchrotron","","","","","","","","","1.9122","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215686","9.48686","0.000238","9.48686","0.000238","6.941954","0.000181","90","","90","","120","","541.07","0.02","298","","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ca8.542 O26 P6 Sr1.458 -","- Ca8.546 O26 P6 Sr1.454 -","- Ca8.546 O26 P6 Sr1.454 -","1","0.0833333","","Terra, Joice; Dourado, Erico Rodrigues; Eon, Jean-Guillaume; Ellis, Donald E.; Gonzalez, Gabriela; Rossi, Alexandre Malta","The structure of strontium-doped hydroxyapatite: an experimental and theoretical study.","Physical chemistry chemical physics : PCCP","2009","11","3","568","577","10.1039/b802841a","powder diffraction","","0.13845","synchrotron","","","","","","","","","2.0634","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7215687","9.470575","0.000243","9.470575","0.000243","6.92324","0.000185","90","","90","","120","","537.77","0.02","298","","","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Ca9.045 O26 P6 Sr0.955 -","- Ca9.048 O26 P6 Sr0.952 -","- Ca9.048 O26 P6 Sr0.952 -","1","0.0833333","","Terra, Joice; Dourado, Erico Rodrigues; Eon, Jean-Guillaume; Ellis, Donald E.; Gonzalez, Gabriela; Rossi, Alexandre Malta","The structure of strontium-doped hydroxyapatite: an experimental and theoretical study.","Physical chemistry chemical physics : PCCP","2009","11","3","568","577","10.1039/b802841a","powder diffraction","","0.13845","synchrotron","","","","","","","","","1.8913","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7221271","7.7206","","7.7206","","5.637","","90","","90","","90","","336.008","","","","","","","","","","","","","3","P 42/n m c :2","-P 4ac 2a","137","","(Bi1.85 Zr0.15) O3.075","","- Bi1.85 O3.075 Zr0.15 -","- Bi1.85 O3.075 Zr0.15 -","- Bi7.4 O12.3 Zr0.6 -","4","0.25","","Abrahams, I.; Bush, A.J.; Chan, S.C.M.; Krok, F.; Wrobel, W.","Stabilisation and characterisation of a new betaIII-phase in Zr-doped Bi2 O3","Journal of Materials Chemistry","2001","11","","1715","1721","","","","","","","","","","","","","","","","","","","","","","has coordinates","146552","2020-10-21","18:00:00",""
"7221272","5.6277","","5.6277","","5.6277","","90","","90","","90","","178.235","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Bi1.85 Zr0.15) O3.075","","- Bi1.85 O3.075 Zr0.15 -","- Bi1.85 O3.0712 Zr0.15 -","- Bi3.7 O6.1424 Zr0.3 -","2","0.0104167","","Abrahams, I.; Bush, A.J.; Wrobel, W.; Krok, F.; Chan, S.C.M.","Stabilisation and characterisation of a new betaIII-phase in Zr-doped Bi2 O3","Journal of Materials Chemistry","2001","11","","1715","1721","","","","","","","","","","","","","","","","","","","","","","has coordinates","146553","2020-10-21","18:00:00",""
"7221273","5.31411","","5.31148","","26.9138","","90","","90","","90","","759.663","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Ca4 Mn2 Ti O9.926","","- Ca4 Mn2 O9.926 Ti -","- Ca4 Mn2 O9.926 Ti -","- Ca16 Mn8 O39.704 Ti4 -","4","0.5","","Battle, P.D.; Vente, J.F.; Blundell, S.J.; Coldea, A.I.; Spring, L.E.; Cussen, E.J.; Singleton, J.; Rosseinsky, M.J.","Crystal structure and electronic properties of Ca4 Mn2 Ti O9.93, an n=3 Ruddlesden-Popper compound","Journal of Materials Chemistry","2001","11","","160","167","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221274","5.6944","","8.0548","","5.6826","","90","","90","","90","","260.645","","","","","","","","","","","","","5","I m m a","-I 2b 2","74","","La Ba In Mn O6","","- Ba In La Mn O6 -","- Ba In La Mn O6 -","- Ba2 In2 La2 Mn2 O12 -","2","0.125","","Battle, P.D.; Singleton, J.; Coldea, A.I.; Jordan, N.A.; Rosseinsky, M.J.","Synthesis, structural chemistry and magnetic properties of La1+x A1-x In Mn O6-d: A = Ba, Sr; x = 0, 0.2","Journal of Materials Chemistry","2001","11","","1656","1661","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221275","5.6686","","8.0397","","5.686","","90","","90","","90","","259.133","","","","","","","","","","","","","5","I m m a","-I 2b 2","74","","(La1.2 Ba0.8) In Mn O6","","- Ba0.8 In La1.2 Mn O6 -","- Ba0.8 In La1.2 Mn O6 -","- Ba1.6 In2 La2.4 Mn2 O12 -","2","0.125","","Battle, P.D.; Coldea, A.I.; Jordan, N.A.; Singleton, J.; Rosseinsky, M.J.","Synthesis, structural chemistry and magnetic properties of La1+x A1-x In Mn O6-d: A = Ba, Sr; x = 0, 0.2","Journal of Materials Chemistry","2001","11","","1656","1661","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221276","5.6387","","7.9664","","5.646","","90","","90","","90","","253.619","","","","","","","","","","","","","5","P n m a","-P 2ac 2n","62","","(La1.2 Sr0.8) In Mn O6","","- In La1.2 Mn O6 Sr0.8 -","- In La1.2 Mn O6 Sr0.8 -","- In2 La2.4 Mn2 O12 Sr1.6 -","2","0.25","","Battle, P.D.; Coldea, A.I.; Jordan, N.A.; Rosseinsky, M.J.; Singleton, J.","Synthesis, structural chemistry and magnetic properties of La1+x A1-x In Mn O6-d: A = Ba, Sr; x = 0, 0.2","Journal of Materials Chemistry","2001","11","","1656","1661","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221278","3.9858","","3.9858","","21.785","","90","","90","","90","","346.09","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","K2 Sr (Ta2 O7)","","- K2 O7 Sr Ta2 -","- K2 O7 Sr Ta2 -","- K4 O14 Sr2 Ta4 -","2","0.0625","","Crosnier-Lopez, M.P.; le Berre, F.; Fourquet, J.L.","The layered perovskite K2 Sr Ta2 O7: hydration and K(+)/H(+) ion exchange","Journal of Materials Chemistry","2001","11","","1146","1151","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221279","5.8894","","5.8894","","14.6476","","90","","90","","120","","439.986","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba3 Ce Ru2 O9","","- Ba3 Ce O9 Ru2 -","- Ba3 Ce O9 Ru2 -","- Ba6 Ce2 O18 Ru4 -","2","0.0833333","","Doi, Y.; Wakeshima, M.; Tobo, A.; Hinatsu, Y.; Ohoyama, K.; Yamaguchi, Y.","Crystal structures and magnetic properties of the 6H-perovskites Ba3 Ln Ru2 O9 (Ln = Ce, Pr and Tb)","Journal of Materials Chemistry","2001","11","","3135","3140","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221280","5.8855","","5.8855","","14.6071","","90","","90","","120","","438.189","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","Ba3 Pr Ru2 O9","","- Ba3 O9 Pr Ru2 -","- Ba3 O9 Pr Ru2 -","- Ba6 O18 Pr2 Ru4 -","2","0.0833333","","Doi, Y.; Wakeshima, M.; Yamaguchi, Y.; Hinatsu, Y.; Tobo, A.; Ohoyama, K.","Crystal structures and magnetic properties of the 6H-perovskites Ba3 Ln Ru2 O9 (Ln= Ce, Pr and Tb)","Journal of Materials Chemistry","2001","11","","3135","3140","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221281","3.7571","","3.7571","","8.792","","90","","90","","90","","124.106","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Tl0.93 Sr2 Co O5","","- Co O5 Sr2 Tl0.93 -","- Co O5 Sr2 Tl0.93 -","- Co O5 Sr2 Tl0.93 -","1","0.0625","","Doumerc, J.P.; Elkaim, E.; Coutanceau, M.; Pouchard, M.; Grenier, J.C.; Demourgues, A.","Crystal structure of the thallium strontium cobaltite Tl Sr2 Co O5 and its relationship to the electronic properties","Journal of Materials Chemistry","2001","11","","78","85","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221282","6.8177","","6.8177","","6.8177","","90","","90","","90","","316.894","","","","","","","","","","","","","3","P 41 3 2","P 4bd 2ab 3","213","","Pd2 Mo3 N","","- Mo3 N Pd2 -","- Mo3 N Pd2 -","- Mo12 N4 Pd8 -","4","0.166667","","El-Himri, A.; Sapina, F.; Ibanez, R.; Beltran, A.","Pd2 Mo3 N : a new molybdenum bimetallic interstitial nitride","Journal of Materials Chemistry","2001","11","","2311","2314","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221283","13.6965","","13.6965","","8.4231","","90","","90","","120","","1368.43","","","","","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","Sn0.108 H1.08 Al1.016 P1.016 O4.82","","- Al1.016 H1.08 O4.82 P1.016 Sn0.108 -","- Al1.016 O4.82 P1.016 Sn0.108 -","- Al12.192 O57.84 P12.192 Sn1.296 -","12","0.5","","Flavell, W.R.; Nicholson, D.G.; Stahl, K.; Nilsen, M.H.","X-ray powder diffraction and EXAFS studies on Sn A P O - 5 and Cu: Sn A P O - 5","Journal of Materials Chemistry","2001","11","","620","627","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221284","13.6935","","13.6935","","8.4689","","90","","90","","120","","1375.27","","","","","","","","","","","","","5","P 6/m c c","-P 6 2c","192","","Sn0.128 H1.788 Al0.906 P0.906 O4.774","","- Al0.906 H1.788 O4.774 P0.906 Sn0.128 -","- Al0.906 O4.774 P0.906 Sn0.128 -","- Al10.872 O57.288 P10.872 Sn1.536 -","12","0.5","","Flavell, W.R.; Nicholson, D.G.; Nilsen, M.H.; Stahl, K.","X-ray powder diffraction and EXAFS studies on Sn A P O - 5 and Cu: Sn A P O - 5","Journal of Materials Chemistry","2001","11","","620","627","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221285","13.7579","","13.7579","","8.3604","","90","","90","","120","","1370.45","","","","","","","","","","","","","6","P 6/m c c","-P 6 2c","192","","Sn0.078 Cu0.356 H0.4 Al0.924 P0.924 O4.408","","- Al0.924 Cu0.356 H0.4 O4.408 P0.924 Sn0.078 -","- Al0.924 Cu0.356 O4.408 P0.924 Sn0.078 -","- Al11.088 Cu4.272 O52.896 P11.088 Sn0.936 -","12","0.5","","Flavell, W.R.; Stahl, K.; Nicholson, D.G.; Nilsen, M.H.","X-ray powder diffraction and EXAFS studies on Sn A P O - 5 and Cu: Sn A P O - 5","Journal of Materials Chemistry","2001","11","","620","627","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221286","8.4435","","8.4435","","21.636","","90","","90","","120","","1335.83","","","","","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","(Li0.72 Na0.88) (Ti1.4 Al0.6) (P O4)3","","- Al0.6 Li0.72 Na0.88 O12 P3 Ti1.4 -","- Al0.6 Li0.72 Na0.88 O12 P3 Ti1.4 -","- Al3.6 Li4.32 Na5.28 O72 P18 Ti8.4 -","6","0.166667","","Mouahid, F.E.; Aranda, M.A.G.; Maldonado-Manso, P.; Zahir, M.; Losilla, E.R.; Bruque, S.; Rivera, A.; Santamaria, J.; Leon, C.","Na-Li exchange of Na1+x Ti2-x Alx (P O4)3 (0.6 <= x <= 0.9) NASICON series: a Rietveld and impedance study","Journal of Materials Chemistry","2001","11","","3258","3263","","","","","","","","","","","","","","","","","","","","","","has coordinates","147162","2020-10-21","18:00:00",""
"7221287","8.4203","","8.4203","","21.592","","90","","90","","120","","1325.8","","","","","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","(Li1.09 Na0.71) (Ti1.2 Al0.8) (P O4)3","","- Al0.8 Li1.09 Na0.71 O12 P3 Ti1.2 -","- Al0.8 Li1.091 Na0.71 O12 P3 Ti1.2 -","- Al4.8 Li6.546 Na4.26 O72 P18 Ti7.2 -","6","0.166667","","Mouahid, F.E.; Bruque, S.; Zahir, M.; Maldonado-Manso, P.; Losilla, E.R.; Aranda, M.A.G.; Rivera, A.; Santamaria, J.; Leon, C.","Na-Li exchange of Na1+x Ti2-x Alx (P O4)3 (0.6 <= x <= 0.9) NASICONseries: a Rietveld and impedance study","Journal of Materials Chemistry","2001","11","","3258","3263","","","","","","","","","","","","","","","","","","","","","","has coordinates","147164","2020-10-21","18:00:00",""
"7221288","8.4001","","8.4001","","21.55","","90","","90","","120","","1316.88","","","","","","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","(Li1.45 Na0.45) (Ti1.1 Al0.9) (P O4)3","","- Al0.9 Li1.45 Na0.45 O12 P3 Ti1.1 -","- Al0.9 Li1.45 Na0.45 O12 P3 Ti1.1 -","- Al5.4 Li8.7 Na2.7 O72 P18 Ti6.6 -","6","0.166667","","Mouahid, F.E.; Maldonado-Manso, P.; Zahir, M.; Losilla, E.R.; Bruque, S.; Santamaria, J.; Aranda, M.A.G.; Rivera, A.; Leon, C.","Na-Li exchange of Na1+x Ti2-x Alx (P O4)3 (0.6 <= x <= 0.9) NASICONseries: a Rietveld and impedance study","Journal of Materials Chemistry","2001","11","","3258","3263","","","","","","","","","","","","","","","","","","","","","","has coordinates","147166","2020-10-21","18:00:00",""
"7221289","11.953","","11.953","","8.4211","","90","","90","","90","","1203.16","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","Ba3 Cu3 (Sc2.96 In1.04) O12","","- Ba3 Cu3 In1.04 O12 Sc2.96 -","- Ba3 Cu3 In1.04 O12 Sc2.96 -","- Ba12 Cu12 In4.16 O48 Sc11.84 -","4","0.125","","Gregory, D.H.; Weston, D.P.; Mawdsley, P.R.; Daniell, W.; Barker, S.J.","Synthesis, stoichiometry and structure of the quaternary scandium cuprate Ba3 Cu3 Sc4 O12 and of 334-phase solid solution members Ba3Cu3 Sc4-x Inx O12 (0 <= x <= 4)","Journal of Materials Chemistry","2001","11","","806","814","","","","","","","","","","","","","","","","","","","","","","has coordinates","147279","2020-10-21","18:00:00",""
"7221290","11.9969","","11.9969","","8.4473","","90","","90","","90","","1215.78","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","Ba3 Cu3 (Sc2.316 In1.684) O12","","- Ba3 Cu3 In1.684 O12 Sc2.316 -","- Ba3 Cu3 In1.684 O12 Sc2.316 -","- Ba12 Cu12 In6.736 O48 Sc9.264 -","4","0.125","","Gregory, D.H.; Mawdsley, P.R.; Barker, S.J.; Daniell, W.; Weston, D.P.","Synthesis, stoichiometry and structure of the quaternary scandium cuprate Ba3 Cu3 Sc4 O12 and of 334-phase solid solution members Ba3Cu3 Sc4-x Inx O12 (0 <= x <= 4)","Journal of Materials Chemistry","2001","11","","806","814","","","","","","","","","","","","","","","","","","","","","","has coordinates","147281","2020-10-21","18:00:00",""
"7221291","12.0719","","12.0719","","8.4856","","90","","90","","90","","1236.61","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","Ba3 Cu3 (Sc0.804 In3.196) O12","","- Ba3 Cu3 In3.196 O12 Sc0.804 -","- Ba3 Cu3 In3.196 O12 Sc0.804 -","- Ba12 Cu12 In12.784 O48 Sc3.216 -","4","0.125","","Gregory, D.H.; Mawdsley, P.R.; Barker, S.J.; Daniell, W.; Weston, D.P.","Synthesis, stoichiometry and structure of the quaternary scandium cuprate Ba3 Cu3 Sc4 O12 and of 334-phase solid solution members Ba3 Cu3 Sc4-x Inx O12 (0 <= x <= 4)","Journal of Materials Chemistry","2001","11","","806","814","","","","","","","","","","","","","","","","","","","","","","has coordinates","147283","2020-10-21","18:00:00",""
"7221292","12.1283","","12.1283","","8.5106","","90","","90","","90","","1251.87","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","","","- Ba3 Cu3 In4 O12 -","- Ba3 Cu3 In4 O12 -","- Ba12 Cu12 In16 O48 -","4","0.125","","Gregory, D.H.; Mawdsley, P.R.; Barker, S.J.; Daniell, W.; Weston, D.P.","Synthesis, stoichiometry and structure of the quaternary scandium cuprate Ba3 Cu3 Sc4 O12 and of 334-phase solid solution members Ba3Cu3 Sc4-x Inx O12 (0 <= x <= 4)","Journal of Materials Chemistry","2001","11","","806","814","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7221293","15.85","","4.9029","","18.039","","90","","114.849","","90","","1272.05","","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","La3 Si6.5 Al1.5 N9.5 O5.5","","- Al1.5 La3 N9.5 O5.5 Si6.5 -","- Al1.5 La3 N9.4999 O5.5001 Si6.5 -","- Al6 La12 N37.9996 O22.0004 Si26 -","4","0.5","","Grins, J.; Shen, Z.; Esmaeilzadeh, S.; Berastegui, P.","The structures of the Ce and La N-phases RE3 Si8-x Alx N11-x O4+x (x = 1.75 for RE = Ce, x = 1.5 for RE = La), determined by single-crystal X-ray and time-of-flight neutron powder diffraction,respectively","Journal of Materials Chemistry","2001","11","","2358","2362","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221294","3.9239","","3.9239","","14.2976","","90","","90","","90","","220.14","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Sr2 Fe O3 Cl","","- Cl Fe O3 Sr2 -","- Cl Fe O3 Sr2 -","- Cl2 Fe2 O6 Sr4 -","2","0.125","","Hector, A.L.; Thomas, M.F.; Hutchings, J.; Weller, M.T.; Needs, R.L.","Structural and Mossbauer study of Sr2 Fe O3 X (X = F, Cl, Br) and the magnetic structure of Sr2 Fe O3 F","Journal of Materials Chemistry","2001","11","","527","532","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221295","3.9307","","3.9307","","15.1516","","90","","90","","90","","234.098","","","","","","","","","","","","","4","P 4/n m m :2","-P 4a 2a","129","","Sr2 Fe O3 Br","","- Br Fe O3 Sr2 -","- Br Fe O3 Sr2 -","- Br2 Fe2 O6 Sr4 -","2","0.125","","Hector, A.L.; Hutchings, J.; Weller, M.T.; Thomas, M.F.; Needs, R.L.","Structural and Mossbauer study of Sr2 Fe O3 X (X = F, Cl, Br) and the magnetic structure of Sr2 Fe O3 F","Journal of Materials Chemistry","2001","11","","527","532","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221296","5.45099","","5.45099","","26.2932","","90","","90","","90","","781.258","","","","","","","","","","","","","4","P -4 2 c","P -4 2c","112","","Sr2 (Fe O3) F","","- F Fe O3 Sr2 -","- F Fe O3 Sr2 -","- F8 Fe8 O24 Sr16 -","8","1","","Hector, A.L.; Hutchings, J.; Needs, R.L.; Thomas, M.F.; Weller, M.T.","Structural and Moessbauer study of Sr2 Fe O3 X (X= F, Cl, Br) and the magnetic structure of Sr2 Fe O3 F","Journal of Materials Chemistry","2001","11","","527","532","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221297","5.9314","","9.8974","","11.8859","","90","","119.58","","90","","606.825","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ho2 (Si4 N6 C)","","- C Ho2 N6 Si4 -","- C Ho2 N6 Si4 -","- C4 Ho8 N24 Si16 -","4","1","","Hoeppe, H.A.; Kotzyba, G.; Schnick, W.; Poettgen, R.","High-temperature synthesis, crystal structure, optical properties and magnetism of the carbidonitridosilicates Ho2 (Si4 N6 C) and Tb2(Si4 N6 C)","Journal of Materials Chemistry","2001","11","","3300","3306","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221298","10.3073","","10.3073","","10.3073","","90","","90","","90","","1095.05","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Tl0.55 (Tl0.1 Sb0.57) Sb2 O6.28","","- O6.28 Sb2.57 Tl0.65 -","- O6.28 Sb2.57 Tl0.65 -","- O50.24 Sb20.56 Tl5.2 -","8","0.0416667","","Hong, Y.-S.; Kim, K.","New pyrochlore phases in the ternary oxide Tl - Sb - O","Journal of Materials Chemistry","2001","11","","1533","1536","","","","","","","","","","","","","","","","","","","","","","has coordinates","147503","2020-10-21","18:00:00",""
"7221299","10.2957","","10.2957","","10.2957","","90","","90","","90","","1091.36","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Tl0.57 (Tl0.24 Sb0.43) Sb2 O6.29","","- O6.29 Sb2.43 Tl0.81 -","- O6.29 Sb2.4296 Tl0.81 -","- O50.32 Sb19.4368 Tl6.48 -","8","0.0416667","","Hong, Y.-S.; Kim, K.","New pyrochlore phases in the ternary oxide Tl - Sb - O","Journal of Materials Chemistry","2001","11","","1533","1536","","","","","","","","","","","","","","","","","","","","","","has coordinates","147504","2020-10-21","18:00:00",""
"7221300","10.28204","","10.28204","","10.28204","","90","","90","","90","","1087.02","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Tl0.58 (Tl0.49 Sb0.18) Sb2 O6.3","","- O6.3 Sb2.18 Tl1.07 -","- O6.3 Sb2.18 Tl1.07 -","- O50.4 Sb17.44 Tl8.56 -","8","0.0416667","","Hong, Y.-S.; Kim, K.","New pyrochlore phases in the ternary oxide Tl - Sb - O","Journal of Materials Chemistry","2001","11","","1533","1536","","","","","","","","","","","","","","","","","","","","","","has coordinates","147507","2020-10-21","18:00:00",""
"7221301","5.472","","5.472","","13.204","","90","","90","","120","","342.396","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","La (Ni0.95 Mo0.05) O3","","- La Mo0.05 Ni0.95 O3 -","- La Mo0.05 Ni0.95 O3 -","- La6 Mo0.3 Ni5.7 O18 -","6","0.166667","","Rodriguez, E.; Alvarez, I.; Lopez, M.L.; Veiga, M.L.; Martinez, J.L.; Pico, C.","Structural characterization and physical properties of La Ni1-x MoxO3 (0.05 <= x <= 0.20)","Journal of Materials Chemistry","2001","11","","673","677","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221302","5.443","","5.496","","7.769","","90","","90","","90","","232.408","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","La (Ni0.9 Mo0.1) O3","","- La Mo0.1 Ni0.9 O3 -","- La Mo0.1 Ni0.9 O3 -","- La4 Mo0.4 Ni3.6 O12 -","4","0.5","","Rodriguez, E.; Alvarez, I.; Martinez, J.L.; Lopez, M.L.; Veiga, M.L.; Pico, C.","Structural characterization and physical properties of La Ni1-x MoxO3 (0.05 <= x <= 0.20)","Journal of Materials Chemistry","2001","11","","673","677","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221303","5.519","","5.528","","7.807","","90","","90","","90","","238.184","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","La (Ni0.85 Mo0.15) O3","","- La Mo0.15 Ni0.85 O3 -","- La Mo0.15 Ni0.85 O3 -","- La4 Mo0.6 Ni3.4 O12 -","4","0.5","","Rodriguez, E.; Alvarez, I.; Lopez, M.L.; Veiga, M.L.; Martinez, J.L.; Pico, C.","Structural characterization and physical properties of La Ni1-x MoxO3 (0.05 <= x <= 0.20)","Journal of Materials Chemistry","2001","11","","673","677","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221304","5.5534","","5.5645","","7.8482","","90","","90","","90","","242.524","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","La (Ni0.8 Mo0.2) O3","","- La Mo0.2 Ni0.8 O3 -","- La Mo0.2 Ni0.8 O3 -","- La4 Mo0.8 Ni3.2 O12 -","4","0.5","","Rodriguez, E.; Alvarez, I.; Veiga, M.L.; Lopez, M.L.; Pico, C.; Martinez, J.L.","Structural characterization and physical properties of La Ni1-x Mox O3 (0.05 <= x <= 0.20)","Journal of Materials Chemistry","2001","11","","673","677","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221306","5.4554","","5.4588","","7.7049","","90","","90","","90","","229.451","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Pr0.85 Na0.15) (Mn O3)","","- Mn Na0.15 O3 Pr0.85 -","- Mn Na0.15 O3 Pr0.85 -","- Mn4 Na0.6 O12 Pr3.4 -","4","0.5","","Shivakumara, C.; Hegde, M.S.; Srinivasa, T.; Vasanthacharya, N.Y.; Subbanna, G.N.; Lalla, N.P.","Synthesis, structure and magnetic properties of Ln1-x Ax Mn O3 (Ln = Pr, Nd; A = Na, K) from Na Cl or K Cl flux","Journal of Materials Chemistry","2001","11","","2572","2579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221307","5.4563","","5.5031","","7.706","","90","","90","","90","","231.385","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Pr0.9 Na0.1) (Mn O3)","","- Mn Na0.1 O3 Pr0.9 -","- Mn Na0.1 O3 Pr0.9 -","- Mn4 Na0.4 O12 Pr3.6 -","4","0.5","","Shivakumara, C.; Srinivasa, T.; Hegde, M.S.; Lalla, N.P.; Subbanna, G.N.; Vasanthacharya, N.Y.","Synthesis, structure and magnetic properties of Ln1-x Ax Mn O3 (Ln = Pr, Nd; A = Na, K) from Na Cl or K Cl flux","Journal of Materials Chemistry","2001","11","","2572","2579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221308","5.4579","","5.5149","","7.7065","","90","","90","","90","","231.964","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Pr0.92 Na0.08) (Mn O3)","","- Mn Na0.08 O3 Pr0.92 -","- Mn Na0.08 O3 Pr0.92 -","- Mn4 Na0.32 O12 Pr3.68 -","4","0.5","","Shivakumara, C.; Hegde, M.S.; Subbanna, G.N.; Srinivasa, T.; Vasanthacharya, N.Y.; Lalla, N.P.","Synthesis, structure and magnetic properties of Ln1-x Ax Mn O3 (Ln = Pr, Nd; A = Na, K) from Na Cl or K Cl flux","Journal of Materials Chemistry","2001","11","","2572","2579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221309","5.4562","","5.5517","","7.6951","","90","","90","","90","","233.094","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Pr0.97 Na0.03) (Mn0.94 O3)","","- Mn0.94 Na0.03 O3 Pr0.97 -","- Mn0.94 Na0.03 O3 Pr0.97 -","- Mn3.76 Na0.12 O12 Pr3.88 -","4","0.5","","Shivakumara, C.; Srinivasa, T.; Hegde, M.S.; Vasanthacharya, N.Y.; Subbanna, G.N.; Lalla, N.P.","Synthesis, structure and magnetic properties of Ln1-x Ax Mn O3 (Ln = Pr, Nd; A = Na, K) from Na Cl or K Cl flux","Journal of Materials Chemistry","2001","11","","2572","2579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221310","5.4769","","5.5101","","7.7275","","90","","90","","90","","233.203","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Pr0.92 K0.08) (Mn O3)","","- K0.08 Mn O3 Pr0.92 -","- K0.08 Mn O3 Pr0.92 -","- K0.32 Mn4 O12 Pr3.68 -","4","0.5","","Shivakumara, C.; Vasanthacharya, N.Y.; Srinivasa, T.; Hegde, M.S.; Lalla, N.P.; Subbanna, G.N.","Synthesis, structure and magnetic properties of Ln1-x Ax Mn O3 (Ln = Pr, Nd; A = Na, K) from Na Cl or K Cl flux","Journal of Materials Chemistry","2001","11","","2572","2579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221311","5.4625","","5.554","","7.7025","","90","","90","","90","","233.684","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Pr0.94 K0.06) (Mn O3)","","- K0.06 Mn O3 Pr0.94 -","- K0.06 Mn O3 Pr0.94 -","- K0.24 Mn4 O12 Pr3.76 -","4","0.5","","Shivakumara, C.; Hegde, M.S.; Lalla, N.P.; Srinivasa, T.; Subbanna, G.N.; Vasanthacharya, N.Y.","Synthesis, structure and magnetic properties of Ln1-x Ax Mn O3 (Ln = Pr, Nd; A = Na, K) from Na Cl or K Cl flux","Journal of Materials Chemistry","2001","11","","2572","2579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221312","5.4515","","5.6028","","7.6679","","90","","90","","90","","234.206","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Pr0.98 K0.02) (Mn0.94 O3)","","- K0.02 Mn0.94 O3 Pr0.98 -","- K0.02 Mn0.94 O3 Pr0.98 -","- K0.08 Mn3.76 O12 Pr3.92 -","4","0.5","","Shivakumara, C.; Hegde, M.S.; Vasanthacharya, N.Y.; Srinivasa, T.; Lalla, N.P.; Subbanna, G.N.","Synthesis, structure and magnetic properties of Ln1-x Ax Mn O3 (Ln = Pr, Nd; A = Na, K) from Na Cl or K Cl flux","Journal of Materials Chemistry","2001","11","","2572","2579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221313","5.4313","","5.5218","","7.6697","","90","","90","","90","","230.019","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Nd0.89 Na0.11) (Mn O3)","","- Mn Na0.11 Nd0.89 O3 -","- Mn Na0.11 Nd0.89 O3 -","- Mn4 Na0.44 Nd3.56 O12 -","4","0.5","","Shivakumara, C.; Hegde, M.S.; Srinivasa, T.; Lalla, N.P.; Subbanna, G.N.; Vasanthacharya, N.Y.","Synthesis, structure and magnetic properties of Ln1-x Ax Mn O3 (Ln = Pr, Nd; A = Na, K) from Na Cl or K Cl flux","Journal of Materials Chemistry","2001","11","","2572","2579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221314","5.4143","","5.6367","","7.6263","","90","","90","","90","","232.745","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Nd0.98 Na0.02) (Mn0.91 O3)","","- Mn0.91 Na0.02 Nd0.98 O3 -","- Mn0.91 Na0.02 Nd0.98 O3 -","- Mn3.64 Na0.08 Nd3.92 O12 -","4","0.5","","Shivakumara, C.; Hegde, M.S.; Srinivasa, T.; Lalla, N.P.; Subbanna, G.N.; Vasanthacharya, N.Y.","Synthesis, structure and magnetic properties of Ln1-x Ax Mn O3 (Ln = Pr, Nd; A = Na, K) from Na Cl or K Cl flux","Journal of Materials Chemistry","2001","11","","2572","2579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221315","5.4397","","5.6242","","7.6351","","90","","90","","90","","233.588","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Nd0.95 K0.05) (Mn O3)","","- K0.05 Mn Nd0.95 O3 -","- K0.05 Mn Nd0.95 O3 -","- K0.2 Mn4 Nd3.8 O12 -","4","0.5","","Shivakumara, C.; Hegde, M.S.; Srinivasa, T.; Vasanthacharya, N.Y.; Subbanna, G.N.; Lalla, N.P.","Synthesis, structure and magnetic properties of Ln1-x Ax Mn O3 (Ln = Pr, Nd; A = Na, K) from Na Cl or K Cl flux","Journal of Materials Chemistry","2001","11","","2572","2579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221316","5.4158","","5.6563","","7.6223","","90","","90","","90","","233.497","","","","","","","","","","","","","4","P b n m","-P 2c 2ab","62","","(Nd0.98 K0.02) (Mn0.91 O3)","","- K0.02 Mn0.91 Nd0.98 O3 -","- K0.02 Mn0.91 Nd0.98 O3 -","- K0.08 Mn3.64 Nd3.92 O12 -","4","0.5","","Shivakumara, C.; Hegde, M.S.; Lalla, N.P.; Srinivasa, T.; Vasanthacharya, N.Y.; Subbanna, G.N.","Synthesis, structure and magnetic properties of Ln1-x Ax Mn O3 (Ln = Pr, Nd; A = Na, K) from Na Cl or K Cl flux","Journal of Materials Chemistry","2001","11","","2572","2579","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7221317","5.2549","","5.3677","","7.562","","90","","90","","90","","213.299","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Tl Ni O3","","- Ni O3 Tl -","- Ni O3 Tl -","- Ni4 O12 Tl4 -","4","0.5","","Kim, S.-J.; Demazeau, G.; Alonso, J.A.; Choy, J.-H.","High pressure synthesis and crystal structure of a new Ni(III) perovskite: Tl Ni O3","Journal of Materials Chemistry","2001","11","","487","492","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221318","4.1721","","4.1721","","16.376","","90","","90","","90","","285.048","","","","","","","","","","","","","5","I 4/m m m","-I 4 2","139","","Ba2 Zr O3 F2 (H2 O)0.46","","- Ba2 F2 H0.92 O3.46 Zr -","- Ba2 F2.002 O3.458 Zr -","- Ba4 F4.004 O6.916 Zr2 -","2","0.0625","","Slater, P.R.; Gover, R.K.B.","Synthesis and structure of the new oxide fluoride Ba2 Zr O3 F2 * x(H2 O) (x = 0.5)","Journal of Materials Chemistry","2001","11","","2035","2038","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221320","5.4472","","5.4901","","28.8125","","90","","90","","90","","861.657","","","","","","","","","","","","","4","P 21 c n","P -2n 2a","33","","Bi4 Nb O8 Cl","","- Bi4 Cl Nb O8 -","- Bi4 Cl Nb O8 -","- Bi16 Cl4 Nb4 O32 -","4","1","","Kusainova, A.M.; Stefanovich, S.Yu.; Dolgikh, V.A.; Mosunov, A.V.; Hervoches, C.H.; Lightfoot, P.","Dielectric properties and structure of Bi4 Nb O8 Cl and Bi4 Ta O8 Cl","Journal of Materials Chemistry","2001","11","","1141","1145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221321","5.4589","","5.5044","","28.6998","","90","","90","","90","","862.371","","","","","","","","","","","","","4","P 21 c n","P -2n 2a","33","","Bi4 Ta O8 Cl","","- Bi4 Cl O8 Ta -","- Bi4 Cl O8 Ta -","- Bi16 Cl4 O32 Ta4 -","4","1","","Kusainova, A.M.; Hervoches, C.H.; Stefanovich, S.Yu.; Mosunov, A.V.; Dolgikh, V.A.; Lightfoot, P.","Dielectric properties and structure of Bi4 Nb O8 Cl and Bi4 Ta O8 Cl","Journal of Materials Chemistry","2001","11","","1141","1145","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221323","5.5033","","16.234","","5.3717","","90","","90","","90","","479.911","","","","","","","","","","","","","4","I c m m","-I 2 2b","74","","Sr2 (Mn Ga O5)","","- Ga Mn O5 Sr2 -","- Ga Mn O5 Sr2 -","- Ga4 Mn4 O20 Sr8 -","4","0.25","","Wright, A.J.; Palmer, H.M.; Greaves, C.; Anderson, P.A.","Synthesis and structure of Sr2 Mn Ga O5, a new layered manganese oxide","Journal of Materials Chemistry","2001","11","","1324","1326","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221324","3.072","","3.072","","18.73","","90","","90","","120","","153.077","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ti3 Al C2","","- C2 Al Ti3 -","- C2 Al Ti3 -","- C4 Al2 Ti6 -","2","0.0833333","","Zhou, Y.C.; Wang, X.H.; Chen, S.Q.; Sun, Z.M.","Electronic and structural properties of the layered ternary carbide Ti3 Al C2","Journal of Materials Chemistry","2001","11","","2335","2339","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223704","27.1925","","27.1925","","41.0974","","90","","90","","90","","30388.7","","","","","","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","Na15 Mn10 ((H P O4) (P O4)3 Mo6 O12 (O H)3)4 (P O4) (H2 O)48","","- Mn10 Mo24 Na10 O165 P17 -","- Mn10 Mo24 Na10 O165 P17 -","- Mn80 Mo192 Na80 O1320 P136 -","8","0.25","","du Peloux, C.; Mialane, P.; Dolbecq, A.; Marrot, J.; Riviere, E.; Secheresse, F.","Synthesis, crystal structure and magnetic properties of new molybdenum(V) phosphates containing Mn(2+) or Co(2+) with three-dimensional structures directed by the nature of the transition metal","Journal of Materials Chemistry","2001","11","","3392","3396","","","","","","","","","","","","","","","","","","","","","","has coordinates","172966","2020-10-21","18:00:00",""
"7223709","28.1613","","14.2131","","12.998","","90","","114.79","","90","","4723.16","","","","","","","","","","","","","5","C 1 2/m 1","-C 2y","12","","Na12 Co3 ((P O4)4 Mo6 O12 (O H)3)2 (H2 O)44","","- Co3 Mo12 Na12 O102 P8 -","- Co3 Mo12 Na12 O102 P8 -","- Co6 Mo24 Na24 O204 P16 -","2","0.25","","du Peloux, C.; Mialane, P.; Secheresse, F.; Marrot, J.; Riviere, E.; Dolbecq, A.","Synthesis, crystal structure and magnetic properties of new molybdenum(V) phosphates containing Mn(2+) or Co(2+) with three-dimensional structures directed by the nature of the transition metal","Journal of Materials Chemistry","2001","11","","3392","3396","","","","","","","","","","","","","","","","","","","","","","has coordinates","173087","2020-10-21","18:00:00",""
"7241932","11.616","0.0004","20.6335","0.0007","23.3007","0.0007","90","","90","","90","","5584.7","0.3","149.99","","149.99","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C29 H21 F9 N2 O4 -","- C29 H21 F9 N2 O4 -","- C232 H168 F72 N16 O32 -","8","1","","Liu, Yanshan; Liao, Yunhui; Ye, Ziwei; Chen, Lina; He, Yun; Huang, Yifan; Lai, Yingyu; Chen, Junguo; Zhu, Qiuhua","Self-reversible mechanofluorochromism of AIE-active C6-unsubstituted tetrahydropyrimidine derivatives","RSC Advances","2021","11","1","15","22","10.1039/D0RA09209F","","","1.54178","CuKα","","0.0842","0.0743","","","0.1974","0.2085","","","","","","1.049","","","","has coordinates","260111","2020-12-23","05:26:26",""
"7241933","14.2291","0.0017","11.4539","0.0014","17.931","0.002","90","","105.852","0.002","90","","2811.2","0.6","187.49","","187.49","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H21 F9 N2 O4 -","- C29 H21 F9 N2 O4 -","- C116 H84 F36 N8 O16 -","4","1","","Liu, Yanshan; Liao, Yunhui; Ye, Ziwei; Chen, Lina; He, Yun; Huang, Yifan; Lai, Yingyu; Chen, Junguo; Zhu, Qiuhua","Self-reversible mechanofluorochromism of AIE-active C6-unsubstituted tetrahydropyrimidine derivatives","RSC Advances","2021","11","1","15","22","10.1039/D0RA09209F","","","0.71073","MoKα","","0.0731","0.04","","","0.0945","0.112","","","","","","1.003","","","","has coordinates,has disorder","260111","2020-12-23","05:26:27",""
"7241985","12.78","0.004","14.131","0.005","24.436","0.008","90","","101.067","0.01","90","","4331","2","100","","100","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H30 Cl4 N4 O5 Ru -","- C40 H30 Cl4 N4 O5 Ru -","- C160 H120 Cl16 N16 O20 Ru4 -","4","1","","Johansson, Mikael P.; Niederegger, Lukas; Rauhalahti, Markus; Hess, Corinna R.; Kaila, Ville R. I.","Dispersion forces drive water oxidation in molecular ruthenium catalysts","RSC Advances","2021","11","1","425","432","10.1039/D0RA09004B","","x-ray","0.71073","MoKα","","0.0981","0.0757","","","0.1662","0.1758","","","","","","1.116","","","","has coordinates","260142","2020-12-24","05:16:19",""
"7241986","8.9053","0.0005","14.6973","0.0008","27.8975","0.0014","90","","99.028","0.001","90","","3606.1","0.3","100","","100","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 Cl6 N4 O4 Ru -","- C32 H22 Cl6 N4 O4 Ru -","- C128 H88 Cl24 N16 O16 Ru4 -","4","1","","Johansson, Mikael P.; Niederegger, Lukas; Rauhalahti, Markus; Hess, Corinna R.; Kaila, Ville R. I.","Dispersion forces drive water oxidation in molecular ruthenium catalysts","RSC Advances","2021","11","1","425","432","10.1039/D0RA09004B","","x-ray","0.71073","MoKα","","0.0841","0.0541","","","0.0907","0.0989","","","","","","1.056","","","","has coordinates","260142","2020-12-24","05:16:19",""
"7241987","8.923","0.002","6.9505","0.0018","16.162","0.004","90","","94.259","0.009","90","","999.6","0.4","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H14 N6 O6 -","- C3 H14 N6 O6 -","- C12 H56 N24 O24 -","4","1","","Zhang, Jiarong; Bi, Fuqiang; Zhang, Junlin; Wang, Xiaohong; Yang, Zhi; Zhang, Guofang; Wang, Bozhou","Synthetic and thermal studies of four insensitive energetic materials based on oxidation of the melamine structure","RSC Advances","2021","11","1","288","295","10.1039/D0RA09105G","","","0.71073","MoKα","","0.0313","0.0297","","","0.0796","0.081","","","","","","1.058","","","","has coordinates","260143","2020-12-24","05:16:45",""
"7242019","6.811","0.0004","9.5833","0.0006","10.5124","0.0007","90","","105.512","0.007","90","","661.17","0.08","292.99","0.1","292.99","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Mo4 O15 Y2 -","- Mo4 O15 Y2 -","- Mo8 O30 Y4 -","2","0.5","","Wang, Xiangmei; Gao, Zeliang; Wang, Chunyan; Guo, Xiaojie; Sun, Youxuan; Jia, Yu; Tao, Xutang","Design, growth, and characterization of Y2Mo4O15 crystals for Raman laser applications","RSC Advances","2021","11","2","1164","1171","10.1039/D0RA08609F","","x-ray","0.71073","MoKα","","0.0563","0.0531","","","0.128","0.1306","","","","","","1.076","","","","has coordinates","260560","2021-01-06","05:06:19",""
"7242020","28.0376","0.0006","9.2287","0.0002","10.2831","0.0002","90","","108.391","0.001","90","","2524.86","0.09","299","2","299","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H38 O9 -","- C24 H38 O9 -","- C96 H152 O36 -","4","1","","Liang, Dou-Dou; Yi, Xue-Wen; Wu, Han; Li, Zheng-Hui; Wang, Guo-Kai; Cheng, Gui-Guang; Feng, Tao","Antrodillin, an immunosuppressive sesquiterpenoid from higher fungus Antrodiella albocinnamomea","RSC Advances","2021","11","2","1124","1127","10.1039/D0RA10055B","","","1.54178","CuKα","","0.0354","0.0335","","","0.0905","0.0926","","","","","","1.047","","","","has coordinates,has disorder","260561","2021-01-06","05:06:40",""
"7242035","8.9131","0.0004","11.8184","0.0004","21.8914","0.0009","91.003","0.003","95.825","0.004","106.344","0.004","2198.83","0.16","293","2","293","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 N4 S -","- C26 H24 N4 S -","- C104 H96 N16 S4 -","4","2","","Bhuin, Shouvik; Halder, Sayantan; Saha, Subit Kumar; Chakravarty, Manab","Binding interactions and FRET between bovine serum albumin and various phenothiazine-/anthracene-based dyes: a structure‒property relationship","RSC Advances","2021","11","3","1679","1693","10.1039/D0RA09580J","","x-ray","1.54184","CuKα","","0.0738","0.0671","","","0.1872","0.1933","","","","","","1.061","","","","has coordinates,has disorder","260859","2021-01-08","05:49:32",""
"7242036","31.6645","0.0004","11.334","0.0002","18.9113","0.0002","90","","91.192","0.001","90","","6785.52","0.16","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H10 N O -","- C12.6897 H8.27586 N1.65517 -","- C368 H240 N48 -","29","3.625","","Bhuin, Shouvik; Halder, Sayantan; Saha, Subit Kumar; Chakravarty, Manab","Binding interactions and FRET between bovine serum albumin and various phenothiazine-/anthracene-based dyes: a structure‒property relationship","RSC Advances","2021","11","3","1679","1693","10.1039/D0RA09580J","","x-ray","1.54184","CuKα","","0.0528","0.045","","","0.1246","0.1296","","","","","","1.062","","","","has coordinates","260859","2021-01-08","05:49:37",""
"7242037","20.4243","0.0004","15.3838","0.0002","11.4158","0.0002","90","","103.358","0.0018","90","","3489.85","0.11","104","6","104","6","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4'-(3,5-difluorophenyl)-2-phenyl-4'H-spiro[indole-3,5'-isoxazole]","","- C22 H14 F2 N2 O -","- C22 H14 F2 N2 O -","- C176 H112 F16 N16 O8 -","8","2","","Aksenov, Alexander V.; Aksenov, Dmitrii A.; Aksenov, Nicolai A.; Skomorokhov, Anton A.; Aleksandrova, Elena V.; Rubin, Michael","Preparation of spiro[indole-3,5′-isoxazoles] via Grignard conjugate addition/spirocyclization sequence","RSC Advances","2021","11","3","1783","1793","10.1039/D0RA10219A","","x-ray","1.54184","CuKα","","0.0507","0.0439","","","0.1158","0.123","","","","","","1.026","","","","has coordinates,has disorder","260860","2021-01-08","05:50:07",""
"7242056","11.204","0.005","16.844","0.005","18.858","0.005","63.767","0.005","83.998","0.005","77.38","0.005","3115.1","1.9","93","2","93","2","","","","","","","","7","P -1","-P 1","2","","","","- C69.38 H22.4 Cl3 Co F20 N12 O3.38 -","- C69.37 H22.5 Cl3 Co F20 N12 O3.38 -","- C138.74 H45 Cl6 Co2 F40 N24 O6.76 -","2","1","","Shin, Ji-Young","The synthesis and characterization of the octahedral CoIII complex of a pyrrolopyrrolizine derivative formed with dicyanovinylene-bis-(meso-aryl)dipyrrin","RSC Advances","2021","11","4","2315","2319","10.1039/D0RA09452H","","","0.71069","MoKα","","0.1385","0.0972","","","0.2688","0.2944","","","","","","1.072","","","","has coordinates,has disorder","260879","2021-01-09","05:32:29",""
"7242057","7.9404","0.0008","11.6089","0.0014","15.724","0.0018","71.877","0.01","79.537","0.009","78.741","0.01","1339.6","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H16.67 Br1.33 Cl0.67 N2.67 O2 S0.67 -","- C16 H16.6667 Br1.33333 Cl0.666667 N2.66667 O2 S0.666667 -","- C48 H50 Br4 Cl2 N8 O6 S2 -","3","1.5","","Bangade, V. M.; Mali, P. R.; Meshram, H. M.","Solid-phase reactive chromatography (SPRC): a sustainable method for the synthesis of benzimidazol-diphenyl-2-imino-thiazolidine-4-ols (hemiaminals) which are active against lung cancer","RSC Advances","2021","11","4","2320","2324","10.1039/D0RA09082D","","","1.54184","CuKα","","0.0874","0.064","","","0.1851","0.2408","","","","","","1.192","","","","has coordinates","260880","2021-01-09","05:32:58",""
"7242058","9.6474","0.0007","10.8318","0.0006","12.4029","0.0009","103.244","0.006","108.679","0.007","100.155","0.006","1150.52","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H26 O2 -","- C30 H26 O2 -","- C60 H52 O4 -","2","1","","Yu, Lirong; Zhang, Mengxing; Lou, Dandan; Li, Jiale; Wang, Xi; Bai, Ming","CH/π-interaction-driven self-assembly of tetraphenylethylene derivatives into the face to face arrangement","RSC Advances","2021","11","4","2377","2382","10.1039/D0RA10572D","","","1.54178","CuKα","","0.0575","0.0483","","","0.1437","0.1559","","","","","","1.046","","","","has coordinates","260909","2021-01-13","05:11:30",""
"7242059","18.2344","0.001","12.6038","0.0004","18.1345","0.001","90","","119.224","0.007","90","","3637.2","0.4","200","0.1","200","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 Cl4 Mn N2 -","- C10 H24 Cl4 Mn N2 -","- C80 H192 Cl32 Mn8 N16 -","8","2","","Li, Yanyan; Lin, Liting; Yang, Jie; Qian, Kun; Jiang, Tao; Li, Hong","Red/green-light emission in continuous dielectric phase transition materials: [Me3NVinyl]2[MnX4] (X = Cl, Br)","RSC Advances","2021","11","4","2329","2336","10.1039/D0RA08795E","","x-ray","1.54178","CuKα","","0.0809","0.0655","","","0.1787","0.2027","","","","","","1.089","","","","has coordinates","260910","2021-01-13","05:12:43",""
"7242060","13.1016","0.0014","9.0403","0.0012","16.1804","0.0019","90","","90","","90","","1916.4","0.4","348","2","348","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H24 Cl4 Mn N2 -","- C10 H24 Cl4 Mn N2 -","- C40 H96 Cl16 Mn4 N8 -","4","0.5","","Li, Yanyan; Lin, Liting; Yang, Jie; Qian, Kun; Jiang, Tao; Li, Hong","Red/green-light emission in continuous dielectric phase transition materials: [Me3NVinyl]2[MnX4] (X = Cl, Br)","RSC Advances","2021","11","4","2329","2336","10.1039/D0RA08795E","","","0.71073","MoKα","","0.1622","0.0915","","","0.2407","0.2765","","","","","","1.086","","","","has coordinates,has disorder","260910","2021-01-13","05:12:44",""
"7242061","9.2339","0.0006","15.1859","0.001","13.7409","0.0008","90","","91.494","0.006","90","","1926.2","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H24 Br4 Mn N2 -","- C10 H24 Br4 Mn N2 -","- C40 H96 Br16 Mn4 N8 -","4","1","","Li, Yanyan; Lin, Liting; Yang, Jie; Qian, Kun; Jiang, Tao; Li, Hong","Red/green-light emission in continuous dielectric phase transition materials: [Me3NVinyl]2[MnX4] (X = Cl, Br)","RSC Advances","2021","11","4","2329","2336","10.1039/D0RA08795E","","","0.71073","MoKα","","0.1699","0.1302","","","0.2812","0.3056","","","","","","1.06","","","","has coordinates","260910","2021-01-13","05:12:44",""
"7242062","13.1299","0.0009","8.8855","0.001","16.1959","0.0014","90","","90","","90","","1889.5","0.3","303","2","303","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H24 Cl4 Mn N2 -","- C10 H24 Cl4.002 Mn N2 -","- C40 H96 Cl16.008 Mn4 N8 -","4","0.5","","Li, Yanyan; Lin, Liting; Yang, Jie; Qian, Kun; Jiang, Tao; Li, Hong","Red/green-light emission in continuous dielectric phase transition materials: [Me3NVinyl]2[MnX4] (X = Cl, Br)","RSC Advances","2021","11","4","2329","2336","10.1039/D0RA08795E","","","0.71073","MoKα","","0.1323","0.0913","","","0.2426","0.2602","","","","","","1.148","","","","has coordinates,has disorder","260910","2021-01-13","05:12:44",""
"7242063","13.45","0.0003","9.1134","0.0002","16.4176","0.0005","90","","90","","90","","2012.39","0.09","223","2","223","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H24 Br4 Mn N2 -","- C10 H23 Br4 Mn N2 -","- C40 H92 Br16 Mn4 N8 -","4","0.5","","Li, Yanyan; Lin, Liting; Yang, Jie; Qian, Kun; Jiang, Tao; Li, Hong","Red/green-light emission in continuous dielectric phase transition materials: [Me3NVinyl]2[MnX4] (X = Cl, Br)","RSC Advances","2021","11","4","2329","2336","10.1039/D0RA08795E","","","1.54178","CuKα","","0.1417","0.1182","","","0.2712","0.2835","","","","","","1.051","","","","has coordinates,has disorder","260910","2021-01-13","05:12:44",""
"7242077","12.2658","0.001","21.0563","0.0016","20.8415","0.0018","90","","103.532","0.007","90","","5233.4","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H63 Br Cl2 O10 -","- C56 H63 Br Cl2 O10 -","- C224 H252 Br4 Cl8 O40 -","4","0.5","","Al-Azemi, Talal F.; Vinodh, Mickey","Concentration-dependent supramolecular self-assembly of A1/A2-asymmetric-difunctionalized pillar[5]arene","RSC Advances","2021","11","5","2995","3002","10.1039/D1RA00078K","","","0.71075","MoKα","","0.1768","0.0985","","","0.2872","0.3241","","","","","","1.064","","","","has coordinates,has disorder","260983","2021-01-15","05:11:30",""
"7242078","12.8823","0.0007","24.2792","0.0012","16.7762","0.0008","90","","92.983","0.007","90","","5240","0.5","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H67 Br O10 -","- C58 H67 Br O10 -","- C232 H268 Br4 O40 -","4","1","","Al-Azemi, Talal F.; Vinodh, Mickey","Concentration-dependent supramolecular self-assembly of A1/A2-asymmetric-difunctionalized pillar[5]arene","RSC Advances","2021","11","5","2995","3002","10.1039/D1RA00078K","","","0.71075","MoKα","","0.1599","0.0653","","","0.1487","0.1826","","","","","","1.007","","","","has coordinates","260983","2021-01-15","05:11:31",""
"7242079","38.9455","0.0013","12.2323","0.0005","24.7957","0.0008","90","","98.379","0.007","90","","11686.4","0.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H72 Br2 O10 -","- C60 H72 Br2 O10 -","- C480 H576 Br16 O80 -","8","2","","Al-Azemi, Talal F.; Vinodh, Mickey","Concentration-dependent supramolecular self-assembly of A1/A2-asymmetric-difunctionalized pillar[5]arene","RSC Advances","2021","11","5","2995","3002","10.1039/D1RA00078K","","","0.71075","MoKα","","0.2227","0.1114","","","0.3046","0.3723","","","","","","1.059","","","","has coordinates,has disorder","260983","2021-01-15","05:11:31",""
"7242080","9.14","0.0004","9.3542","0.0004","10.6916","0.0005","104.278","0.002","90.57","0.002","91.63","0.002","885.37","0.07","296","2","296","2","","","","","","","","3","P 1","P 1","1","","","","- C38 H42 O9 -","- C38 H42 O9 -","- C38 H42 O9 -","1","1","","Li, Linwei; Huang, Jianan; Lyu, Hui; Guan, Fuqin; Li, Pirui; Tian, Mei; Xu, Shu; Zhao, Xingzeng; Liu, Fei; Paetz, Christian; Feng, Xu; Chen, Yu","Two lathyrane diterpenoid stereoisomers containing an unusual trans-gem-dimethylcyclopropane from the seeds of Euphorbia lathyris","RSC Advances","2021","11","5","3183","3189","10.1039/D0RA10724G","","","1.54178","CuKα","","0.0343","0.0336","","","0.0954","0.0963","","","","","","1.039","","","","has coordinates","260984","2021-01-15","05:12:00",""
"7242104","11.6962","0.001","12.7639","0.001","12.7562","0.001","90","","112.592","0.002","90","","1758.2","0.2","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Fe N5 O S2 -","- C14 H18 Fe N5 O S2 -","- C56 H72 Fe4 N20 O4 S8 -","4","1","","Basak, Tanmoy; Gómez-García, Carlos J.; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik","Hydrogen bond mediated intermolecular magnetic coupling in mononuclear high spin iron(iii) Schiff base complexes: synthesis, structure and magnetic study with theoretical insight","RSC Advances","2021","11","6","3315","3323","10.1039/D0RA09425K","","","0.71073","MoKα","","0.0498","0.0371","","","0.1053","0.1144","","","","","","1.133","","","","has coordinates","261017","2021-01-17","04:46:30",""
"7242105","11.143","0.003","13.276","0.003","11.981","0.003","90","","108.225","0.006","90","","1683.5","0.7","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 Cl Fe N6 O -","- C13 H20 Cl Fe N6 O -","- C52 H80 Cl4 Fe4 N24 O4 -","4","1","","Basak, Tanmoy; Gómez-García, Carlos J.; Gomila, Rosa M.; Frontera, Antonio; Chattopadhyay, Shouvik","Hydrogen bond mediated intermolecular magnetic coupling in mononuclear high spin iron(iii) Schiff base complexes: synthesis, structure and magnetic study with theoretical insight","RSC Advances","2021","11","6","3315","3323","10.1039/D0RA09425K","","","0.71073","MoKα","","0.1011","0.0787","","","0.205","0.2336","","","","","","1.059","","","","has coordinates,has disorder","261017","2021-01-17","04:46:31",""
"7242106","22.076","0.002","10.1079","0.0008","16.921","0.002","90","","107.25","0.011","90","","3606","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H16 N2 O3 -","- C23 H16 N2 O3 -","- C184 H128 N16 O24 -","8","1","","Zilla, Mahesh K.; Mahajan, Sheena; Khajuria, Rajni; Gupta, Vivek K.; Kapoor, Kamal K.; Ali, Asif","An efficient synthesis of 4-phenoxy-quinazoline, 2-phenoxy-quinoxaline, and 2-phenoxy-pyridine derivatives using aryne chemistry","RSC Advances","2021","11","6","3477","3483","10.1039/D0RA09994E","","","0.71073","MoKα","","0.0848","0.0445","","","0.0911","0.109","","","","","","0.993","","","","has coordinates","261018","2021-01-17","04:47:08",""
"7242107","8.1694","0.0012","9.7524","0.0016","11.898","0.0018","73.012","0.014","75.211","0.013","67.352","0.015","825.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N2 O -","- C22 H16 N2 O -","- C44 H32 N4 O2 -","2","1","","Zilla, Mahesh K.; Mahajan, Sheena; Khajuria, Rajni; Gupta, Vivek K.; Kapoor, Kamal K.; Ali, Asif","An efficient synthesis of 4-phenoxy-quinazoline, 2-phenoxy-quinoxaline, and 2-phenoxy-pyridine derivatives using aryne chemistry","RSC Advances","2021","11","6","3477","3483","10.1039/D0RA09994E","","","0.71073","MoKα","","0.0945","0.0533","","","0.1235","0.1519","","","","","","1.042","","","","has coordinates","261018","2021-01-17","04:47:08",""
"7242108","18.07","0.003","21.05","0.003","21.095","0.005","105.503","0.009","104.705","0.008","104.621","0.005","7023","2","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C92 H110 Cl17 N50 O28 Zn4 -","- C92 H110 Cl17 N50 O28 Zn4 -","- C184 H220 Cl34 N100 O56 Zn8 -","2","1","","Meng, Ye; Zhao, Weiwei; Zheng, Jun; Jiang, Daofa; Gao, Jie; Jin, Yanmei; Ma, Peihua","Host‒guest modes and supramolecular frameworks of complexes of tetramethyl cucurbit[6]uril with 4-chloroaniline and 4,4′-diaminostilbene","RSC Advances","2021","11","6","3470","3475","10.1039/D0RA09074C","","","0.71073","MoKα","","0.0783","0.0531","","","0.1542","0.1702","","","","","","1.051","","","","has coordinates","261019","2021-01-17","04:47:43",""
"7242109","11.664","0.005","14.379","0.007","15.558","0.007","101.417","0.014","100.443","0.015","107.344","0.014","2359.5","1.9","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H76 Cl8 N28 O12 Zn2 -","- C68 H76 Cl8 N28 O12 Zn2 -","- C68 H76 Cl8 N28 O12 Zn2 -","1","0.5","","Meng, Ye; Zhao, Weiwei; Zheng, Jun; Jiang, Daofa; Gao, Jie; Jin, Yanmei; Ma, Peihua","Host‒guest modes and supramolecular frameworks of complexes of tetramethyl cucurbit[6]uril with 4-chloroaniline and 4,4′-diaminostilbene","RSC Advances","2021","11","6","3470","3475","10.1039/D0RA09074C","","","0.71073","MoKα","","0.205","0.1182","","","0.3377","0.3755","","","","","","1.11","","","","has coordinates","261019","2021-01-17","04:47:43",""
"7242110","5.32612","0.00003","5.32612","0.00003","5.32612","0.00003","90","","90","","90","","151.089","0.0015","818","","818","","","","","","","","","3","F -4 3 m","F -4 2 3","216","chalcopyrite","","?Chalkopyrit?","- Cu0.5 Fe0.5 S -","- Cu0.5 Fe0.5 S -","- Cu2 Fe2 S4 -","4","0.0416667","","Frenzel, Ninett; Mehne, Marcel; Bette, Sebastian; Kureti, Sven; Frisch, Gero","Synthesis and stability of single-phase chalcopyrite ‒ a potential reference material for key investigations in chemistry and metallurgical engineering","RSC Advances","2021","11","5","3153","3161","10.1039/D0RA09700D","powder diffraction","x-ray","0.7093","MoKα","","","","","","","","0.0456","","1.23","","","","","","","has coordinates","261020","2021-01-17","04:48:09",""
"7242111","4.8722","0.0002","16.6989","0.0006","19.354","0.0006","90","","90","","90","","1574.65","0.1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H12 Mn N2 O5 -","- C20 H12 Mn N2 O5 -","- C80 H48 Mn4 N8 O20 -","4","1","","Chen, Zesheng; He, Kun-huan; Wei, Runzhi; Lv, Yiju; Liu, Zheng; Han, Guo-Cheng","Synthesis of Mn-MOFs loaded zinc phosphate composite for water-based acrylic coatings with durable anticorrosion performance on mild steel","RSC Advances","2021","11","6","3371","3379","10.1039/D0RA09753E","","","0.71073","MoKα","","0.0643","0.0435","","","0.0795","0.0883","","","","","","1.035","","","","has coordinates","261021","2021-01-17","04:48:32",""
"7242144","9.742","0.0019","16.082","0.003","11.405","0.002","90","","115.05","0.03","90","","1618.8","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","Gorginpour, Forough; Zali-Boeini, Hassan; Rudbari, Hadi Amiri","A quinoxaline-based porous organic polymer containing copper nanoparticles CuNPs@Q-POP as a robust nanocatalyst toward C‒N coupling reaction","RSC Advances","2021","11","6","3655","3665","10.1039/D0RA10741G","","","0.71073","MoKα","","0.1269","0.0721","","","0.1622","0.1852","","","","","","0.827","","","","has coordinates","261079","2021-01-20","05:41:40",""
"7242145","11.4037","0.0005","13.7428","0.0007","13.9665","0.0008","63.686","0.004","79.005","0.006","69.227","0.005","1832.99","0.18","150","2","150","2","","","","","","","","5","P -1","-P 1","2","dimethylammonium paratungstate B.10 hydrate","decakis(dimethylammonium) dihydrododecatungstate(10-).10 hydrate","","- C20 H64 N10 O52 W12 -","- C20 H64 N10 O52 W12 -","- C20 H64 N10 O52 W12 -","1","0.5","","Lendvay, György; Majzik, Eszter; Bereczki, Laura; Domján, Attila; Trif, László; Sajó, István E.; Franguelli, Fernanda Paiva; Farkas, Attila; Klébert, Szilvia; Bombicz, Petra; Németh, Csaba; Szilágyi, Imre Miklós; Kótai, László","(Me2NH2)10[H2-Dodecatungstate] polymorphs: dodecatungstate cages embedded in a variable dimethylammonium cation + water of crystallization matrix","RSC Advances","2021","11","6","3713","3724","10.1039/D0RA09997J","","","0.71075","MoKα","","0.0832","0.0813","","","0.1724","0.1732","","","","","","1.392","","","","has coordinates","261080","2021-01-20","05:42:22",""
"7242146","13.5917","0.0003","16.6057","0.0004","18.6449","0.0004","90.344","0.006","105.743","0.007","112.051","0.008","3726.5","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","dimethylammonium paratungstate B.11 hydrate","decakis(dimethylammonium) dihydrododecatungstate(10-).11 hydrate","","- C20 H80 N10 O53 W12 -","- C20 H80 N10 O53 W12 -","- C40 H160 N20 O106 W24 -","2","1","","Lendvay, György; Majzik, Eszter; Bereczki, Laura; Domján, Attila; Trif, László; Sajó, István E.; Franguelli, Fernanda Paiva; Farkas, Attila; Klébert, Szilvia; Bombicz, Petra; Németh, Csaba; Szilágyi, Imre Miklós; Kótai, László","(Me2NH2)10[H2-Dodecatungstate] polymorphs: dodecatungstate cages embedded in a variable dimethylammonium cation + water of crystallization matrix","RSC Advances","2021","11","6","3713","3724","10.1039/D0RA09997J","","","0.71075","MoKα","","0.1038","0.0687","","","0.1387","0.1505","","","","","","1.142","","","","has coordinates","261080","2021-01-20","05:42:23",""
"7242147","14.7682","0.0003","24.7368","0.0004","21.1511","0.0004","90","","108.924","0.008","90","","7309.2","0.4","143","2","143","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","dimethylammonium paratungstate B.10 hydrate","decakis(dimethylammonium) dihydrododecatungstate(10-).10 hydrate","","- C20 H80 N10 O52 W12 -","- C20 H80 N10 O52 W12 -","- C80 H320 N40 O208 W48 -","4","0.5","","Lendvay, György; Majzik, Eszter; Bereczki, Laura; Domján, Attila; Trif, László; Sajó, István E.; Franguelli, Fernanda Paiva; Farkas, Attila; Klébert, Szilvia; Bombicz, Petra; Németh, Csaba; Szilágyi, Imre Miklós; Kótai, László","(Me2NH2)10[H2-Dodecatungstate] polymorphs: dodecatungstate cages embedded in a variable dimethylammonium cation + water of crystallization matrix","RSC Advances","2021","11","6","3713","3724","10.1039/D0RA09997J","","","0.71073","MoKα","","0.0825","0.0796","","","0.1446","0.1455","","","","","","1.498","","","","has coordinates","261080","2021-01-20","05:42:23",""
"7242148","11.2204","0.0006","13.21","0.0006","14.2241","0.0007","70.006","0.002","82.42","0.003","76.769","0.002","1925.33","0.17","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H86 Cl4 N4 O2 S2 -","- C92 H86 Cl4 N4 O2 S2 -","- C92 H86 Cl4 N4 O2 S2 -","1","0.5","","Ren, Lu; Liang, Lusheng; Zhang, Zhuangzhuang; Zhang, Zilong; Xiong, Qiu; Zhao, Nan; Yu, Yaming; Scopelliti, Rosario; Gao, Peng","The roles of fused-ring organic semiconductor treatment on SnO2 in enhancing perovskite solar cell performance","RSC Advances","2021","11","7","3792","3800","10.1039/D1RA00090J","","","0.71073","MoKα","","0.1458","0.0631","","","0.1457","0.2026","","","","","","1.035","","","","has coordinates,has disorder","261081","2021-01-20","05:43:10",""
"7242149","12.4138","0.0009","13.9061","0.0011","14.3368","0.0011","65.911","0.003","66.25","0.002","69.431","0.003","2015.6","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H43 Cl0.5 N3 O2 S4 -","- C42 H49 Cl2 N2 O2 S2 -","- C84 H98 Cl4 N4 O4 S4 -","2","1","","Ren, Lu; Liang, Lusheng; Zhang, Zhuangzhuang; Zhang, Zilong; Xiong, Qiu; Zhao, Nan; Yu, Yaming; Scopelliti, Rosario; Gao, Peng","The roles of fused-ring organic semiconductor treatment on SnO2 in enhancing perovskite solar cell performance","RSC Advances","2021","11","7","3792","3800","10.1039/D1RA00090J","","","0.71073","MoKα","","0.0807","0.0584","","","0.1524","0.1775","","","","","","1.05","","","","has coordinates","261081","2021-01-20","05:43:13",""
"7242150","11.9342","0.0006","14.6616","0.0007","16.6289","0.0008","113.683","0.002","90.763","0.002","113.819","0.002","2383.5","0.2","150","","150.01","","","","","","","","","5","P -1","-P 1","2","","","","- C56 H50 F6 N6 Ni -","- C56 H50 F6 N6 Ni -","- C112 H100 F12 N12 Ni2 -","2","1","","Braun, Jason D.; Lozada, Issiah B.; Shepit, Michael; van Lierop, Johan; Herbert, David E.","Pseudo-octahedral nickel(ii) complexes of strongly absorbing benzannulated pincer-type amido ligands: ligand-based redox and non-Aufbau electronic behaviour","RSC Advances","2021","11","6","3547","3555","10.1039/D0RA10761A","","","0.71073","MoKα","","0.0715","0.0511","","","0.1088","0.1191","","","","","","1.046","","","","has coordinates,has disorder","261082","2021-01-20","05:44:49",""
"7242151","20.2979","0.0009","20.2979","0.0009","39.0458","0.0018","90","","90","","90","","16087.1","1.3","150","2","150","","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C44 H26 Cl2 N6 Ni -","- C44 H26 Cl2 N6 Ni -","- C704 H416 Cl32 N96 Ni16 -","16","1","","Braun, Jason D.; Lozada, Issiah B.; Shepit, Michael; van Lierop, Johan; Herbert, David E.","Pseudo-octahedral nickel(ii) complexes of strongly absorbing benzannulated pincer-type amido ligands: ligand-based redox and non-Aufbau electronic behaviour","RSC Advances","2021","11","6","3547","3555","10.1039/D0RA10761A","","","0.71073","MoKα","","0.0791","0.0592","","","0.1284","0.139","","","","","","1.04","","","","has coordinates","261082","2021-01-20","05:44:50",""
"7242152","12.0171","0.0003","21.531","0.0007","20.7417","0.0005","90","","92.559","0.001","90","","5361.4","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H52 Fe3 O22 -","- C50 H52 Fe3 O22 -","- C200 H208 Fe12 O88 -","4","0.5","","Khan, M. Shahnawaz; Khalid, Mohd; Shahid, M.","Engineered Fe3 triangle for the rapid and selective removal of aromatic cationic pollutants: complexity is not a necessity","RSC Advances","2021","11","5","2630","2642","10.1039/D0RA09586A","","","0.71073","MoKα","","0.0371","0.0316","","","0.0749","0.0792","","","","","","1.0608","","","","has coordinates","261097","2021-01-21","04:59:45",""
"7242153","7.5639","0.0004","12.0236","0.0005","19.0129","0.0009","99.165","0.003","93.603","0.003","91.597","0.003","1702.43","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H34 F6 N5 O2 P Ru -","- C33 H26 F6 N5 P Ru -","- C66 H52 F12 N10 P2 Ru2 -","2","1","","Wu, Yuhao; Su, Xianlong; Xie, Chaoyi; Hu, Rongrong; Li, Xianghong; Zhao, Qiang; Zheng, Guoli; Yan, Junkun","First cycloruthenation of 2-alkenylpyridines: synthesis, characterization and properties","RSC Advances","2021","11","7","4138","4146","10.1039/D0RA09833G","","","0.71073","MoKα","","0.0889","0.0671","","","0.1864","0.2026","","","","","","1.09","","","","has coordinates","261098","2021-01-21","05:00:16",""
"7242154","26.639","0.003","10.7495","0.0011","16.3176","0.0016","90","","98.1189","0.0016","90","","4625.8","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H38 O4 Sn -","- C22 H38 O4 Sn -","- C176 H304 O32 Sn8 -","8","2","","Rashid, Faisal; Uddin, Noor; Ali, Saqib; Haider, Ali; Tirmizi, Syed Ahmad; Diaconescu, Paula L.; Iqbal, Jamshed","New triorganotin(iv) compounds with aromatic carboxylate ligands: synthesis and evaluation of the pro-apoptotic mechanism","RSC Advances","2021","11","8","4499","4514","10.1039/D0RA06695H","","","0.71073","MoKα","","0.0759","0.0574","","","0.1271","0.1396","","","","","","1.214","","","","has coordinates","261144","2021-01-22","05:24:07",""
"7242164","7.669","0.0002","9.8456","0.0004","15.919","0.0006","88.165","0.003","87.926","0.003","73.153","0.003","1149.35","0.07","100.01","0.1","100.01","0.1","","","","","","","Rostov-on-Don, Russia","5","P -1","-P 1","2","5,7-di(tert-butyl)-2-(4,7-dichloro-8-methyl-2-quinolyl)-4-nitro-1,3-tropolone","5,7-di(tert-butyl)-2-(4,7-dichloro-8-methyl-2-quinolyl)-4-nitro-1,3-tropolone","","- C25 H26 Cl2 N2 O4 -","- C25 H26 Cl2 N2 O4 -","- C50 H52 Cl4 N4 O8 -","2","1","","Gusakov, Evgeniy A.; Topchu, Iuliia A.; Mazitova, Aleksandra M.; Dorogan, Igor V.; Bulatov, Emil R.; Serebriiskii, Ilya G.; Abramova, Zinaida I.; Tupaeva, Inna O.; Demidov, Oleg P.; Toan, Duong Ngoc; Lam, Tran Dai; Bang, Duong Nghia; Boumber, Yanis A.; Sayapin, Yurii A.; Minkin, Vladimir I.","Design, synthesis and biological evaluation of 2-quinolyl-1,3-tropolone derivatives as new anti-cancer agents","RSC Advances","2021","11","8","4555","4571","10.1039/D0RA10610K","","x-ray","1.54184","CuKα","","0.0331","0.0325","","","0.0851","0.0855","","","","","","1.064","","","","has coordinates","261183","2021-01-24","05:14:48",""
"7242203","12.2477","0.0007","14.0636","0.0008","19.8182","0.0011","73.903","0.004","83.442","0.004","82.315","0.003","3239.6","0.3","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H51 F18 N7 O6 P5 Rh -","- C52 H51 F18 N7 O6 P5 Rh -","- C104 H102 F36 N14 O12 P10 Rh2 -","2","1","","Freimann, Sven A.; Prescimone, Alessandro; Housecroft, Catherine E.; Constable, Edwin C.","Turning over on sticky balls: preparation and catalytic studies of surface-functionalized TiO2 nanoparticles","RSC Advances","2021","11","10","5537","5547","10.1039/D0RA09319J","","x-ray","1.54178","CuKα","","0.1189","0.1061","","","0.2968","0.3092","","","","","","1.071","","","","has coordinates,has disorder","261334","2021-01-31","05:07:51",""
"7242204","12.5277","0.0007","14.356","0.0008","15.7458","0.0009","91.845","0.002","110.58","0.002","110.494","0.002","2444.1","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H41.25 N10.25 O22.75 P2 Rh -","- C42 H41.25 N10.25 O22.75 P2 Rh -","- C84 H82.5 N20.5 O45.5 P4 Rh2 -","2","1","","Freimann, Sven A.; Prescimone, Alessandro; Housecroft, Catherine E.; Constable, Edwin C.","Turning over on sticky balls: preparation and catalytic studies of surface-functionalized TiO2 nanoparticles","RSC Advances","2021","11","10","5537","5547","10.1039/D0RA09319J","","x-ray","1.54178","CuKα","","0.049","0.0486","","","0.1365","0.1371","","","","","","1.085","","","","has coordinates,has disorder","261334","2021-01-31","05:07:51",""
"7242205","9.45","0.008","10.573","0.01","28.94","0.02","90","","90","","90","","2892","4","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","TEA2VBH","Bis-tetraethylammonium vanadium(iv)bis-hydroxyiminodiacetate","","- C24 H50 N4 O11 V -","- C24 H50 N4 O11 V -","- C96 H200 N16 O44 V4 -","4","1","","Pahari, Shyam K.; Gokoglan, Tugba Ceren; Visayas, Benjoe Rey B.; Woehl, Jennifer; Golen, James A.; Howland, Rachael; Mayes, Maricris L.; Agar, Ertan; Cappillino, Patrick J.","Designing high energy density flow batteries by tuning active-material thermodynamics","RSC Advances","2021","11","10","5432","5443","10.1039/D0RA10913D","","","0.71073","MoKα","","0.0368","0.0323","","","0.0722","0.074","","","","","","1.054","","","","has coordinates","261335","2021-01-31","05:08:51",""
"7242206","9.5136","0.0008","11.4193","0.001","13.5999","0.0011","67.468","0.002","79.634","0.002","67.087","0.002","1256.19","0.18","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","Tetrapropylammonium vanadium(v)bis-hydroxyiminodiacetate","","- C20 H36 N3 O10 V -","- C20 H36 N3 O10 V -","- C40 H72 N6 O20 V2 -","2","1","","Pahari, Shyam K.; Gokoglan, Tugba Ceren; Visayas, Benjoe Rey B.; Woehl, Jennifer; Golen, James A.; Howland, Rachael; Mayes, Maricris L.; Agar, Ertan; Cappillino, Patrick J.","Designing high energy density flow batteries by tuning active-material thermodynamics","RSC Advances","2021","11","10","5432","5443","10.1039/D0RA10913D","","","0.71073","MoKα","","0.0525","0.0428","","","0.0973","0.1059","","","","","","1.055","","","","has coordinates","261335","2021-01-31","05:08:52",""
"7242207","14.6589","0.0011","9.2683","0.0006","24.4521","0.0016","90","","91.334","0.002","90","","3321.2","0.4","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetra-n-butylammonium vanadium(v)bis-hydroxyiminodiacetate","","- C26 H47 N4 O10 V -","- C26 H47 N4 O10 V -","- C104 H188 N16 O40 V4 -","4","1","","Pahari, Shyam K.; Gokoglan, Tugba Ceren; Visayas, Benjoe Rey B.; Woehl, Jennifer; Golen, James A.; Howland, Rachael; Mayes, Maricris L.; Agar, Ertan; Cappillino, Patrick J.","Designing high energy density flow batteries by tuning active-material thermodynamics","RSC Advances","2021","11","10","5432","5443","10.1039/D0RA10913D","","","0.71073","MoKα","","0.0597","0.048","","","0.1223","0.1342","","","","","","1.096","","","","has coordinates","261335","2021-01-31","05:08:52",""
"7242208","12.0215","0.0012","17.5162","0.0017","22.902","0.002","90","","95.183","0.003","90","","4802.8","0.8","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis-tetra-n-butylammonium vanadium(iv)bis-hydroxyiminodiacetate","","- C40 H82 N4 O11 V -","- C40 H82 N4 O11 V -","- C160 H328 N16 O44 V4 -","4","1","","Pahari, Shyam K.; Gokoglan, Tugba Ceren; Visayas, Benjoe Rey B.; Woehl, Jennifer; Golen, James A.; Howland, Rachael; Mayes, Maricris L.; Agar, Ertan; Cappillino, Patrick J.","Designing high energy density flow batteries by tuning active-material thermodynamics","RSC Advances","2021","11","10","5432","5443","10.1039/D0RA10913D","","","0.71073","MoKα","","0.1026","0.0797","","","0.212","0.2386","","","","","","1.07","","","","has coordinates,has disorder","261335","2021-01-31","05:08:52",""
"7242225","9.6049","0.0001","7.6367","0.0001","9.6337","0.0001","90","","90","","90","","706.629","0.014","100","2","100","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C3 H9 Cl I N O -","- C3 H9 Cl I N O -","- C12 H36 Cl4 I4 N4 O4 -","4","0.5","","Zarechnaya, Olga M.; Anisimov, Aleksei A.; Belov, Eugenii Yu; Burakov, Nikolai I.; Kanibolotsky, Alexander L.; Mikhailov, Vasilii A.","Polycentric binding in complexes of trimethylamine-N-oxide with dihalogens","RSC Advances","2021","11","11","6131","6145","10.1039/D0RA08165E","","","0.71073","MoKα","","0.014","0.014","","","0.0343","0.0343","","","","","","1.281","","","","has coordinates","261512","2021-02-04","21:23:48",""
"7242226","26.536","0.004","26.536","0.004","26.536","0.004","90","","90","","90","","18686","5","93","","93","","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C74 H80 B2 N4 Zn -","- C74 H80 B2 N4 Zn -","- C888 H960 B24 N48 Zn12 -","12","0.25","","Takaki, Koyo; Sakuda, Eri; Ito, Akitaka; Horiuchi, Shinnosuke; Arikawa, Yasuhiro; Umakoshi, Keisuke","Bridging-arylene effects on spectroscopic and photophysical properties of arylborane‒dipyrrinato zinc(ii) complexes","RSC Advances","2021","11","11","6259","6267","10.1039/D0RA09029H","","","0.71075","MoKα","","0.0592","0.0587","","","0.1207","0.1209","","","","","","1.28","","","","has coordinates","261513","2021-02-04","21:24:15",""
"7242227","6.015","0.001","6.015","0.001","4.68","0.001","90","","90","","120","","146.64","0.05","127","2","127","2","","","","","","","","3","P -3 m 1","-P 3 2""","164","(NH4)2[ReF6]","Ammonium Hexafluoridorhenate(IV)","","- F6 N2 Re -","- F6 N2 Re -","- F6 N2 Re -","1","0.0833333","","Louis-Jean, James; Balasekaran, Samundeeswari M.; Lawler, Keith V.; Sanchis-Perucho, Adrián; Martínez-Lillo, José; Smith, Dean; Forster, Paul M.; Salamat, Ashkan; Poineau, Frederic","Coexistence of metamagnetism and slow relaxation of magnetization in ammonium hexafluoridorhenate","RSC Advances","2021","11","11","6353","6360","10.1039/D0RA10325J","","","0.71073","MoKα","","0.0282","0.0282","","","0.0764","0.0764","","","","","","1.457","","","","has coordinates","261514","2021-02-04","21:24:39",""
"7242228","11.6354","0.0005","14.5969","0.0005","9.3401","0.0003","90","","98.173","0.002","90","","1570.22","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N2 O6 -","- C16 H20 N2 O6 -","- C64 H80 N8 O24 -","4","1","","Huseynzada, Alakbar E.; Jelch, Christian; Akhundzada, Haji Vahid N.; Soudani, Sarra; Ben Nasr, Cherif; Israyilova, Aygun; Doria, Filippo; Hasanova, Ulviyya A.; Khankishiyeva, Rana F.; Freccero, Mauro","Synthesis, crystal structure and antibacterial studies of dihydropyrimidines and their regioselectively oxidized products","RSC Advances","2021","11","11","6312","6329","10.1039/D0RA10255E","","","0.71073","MoKα","","0.0817","0.0544","","","0.1152","0.124","","","","","","1.005","","","","has coordinates","261515","2021-02-04","21:25:55",""
"7242229","9.918","0.002","13.013","0.003","12.963","0.0018","90","","91.984","0.018","90","","1672","0.6","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 N2 O3 -","- C21 H16 N2 O3 -","- C84 H64 N8 O12 -","4","1","","Huseynzada, Alakbar E.; Jelch, Christian; Akhundzada, Haji Vahid N.; Soudani, Sarra; Ben Nasr, Cherif; Israyilova, Aygun; Doria, Filippo; Hasanova, Ulviyya A.; Khankishiyeva, Rana F.; Freccero, Mauro","Synthesis, crystal structure and antibacterial studies of dihydropyrimidines and their regioselectively oxidized products","RSC Advances","2021","11","11","6312","6329","10.1039/D0RA10255E","","","0.7107","MoKα","","0.1932","0.1089","","","0.1743","0.2282","","","","","","1.131","","","","has coordinates","261515","2021-02-04","21:25:56",""
"7242230","25.515","0.005","7.71","0.003","18.24","0.004","90","","108.277","0.017","90","","3407.2","1.7","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 N2 O3 -","- C21 H18 N2 O3 -","- C168 H144 N16 O24 -","8","1","","Huseynzada, Alakbar E.; Jelch, Christian; Akhundzada, Haji Vahid N.; Soudani, Sarra; Ben Nasr, Cherif; Israyilova, Aygun; Doria, Filippo; Hasanova, Ulviyya A.; Khankishiyeva, Rana F.; Freccero, Mauro","Synthesis, crystal structure and antibacterial studies of dihydropyrimidines and their regioselectively oxidized products","RSC Advances","2021","11","11","6312","6329","10.1039/D0RA10255E","","","0.7107","MoKα","","0.0894","0.0637","","","0.132","0.1529","","","","","","1.101","","","","has coordinates","261515","2021-02-04","21:25:56",""
"7242231","8.1493","0.0012","9.642","0.0017","11.4398","0.001","74.396","0.01","88.752","0.01","78.9","0.017","849.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H19 N2 O6.5 -","- C16 H19 N2 O6.5 -","- C32 H38 N4 O13 -","2","1","","Huseynzada, Alakbar E.; Jelch, Christian; Akhundzada, Haji Vahid N.; Soudani, Sarra; Ben Nasr, Cherif; Israyilova, Aygun; Doria, Filippo; Hasanova, Ulviyya A.; Khankishiyeva, Rana F.; Freccero, Mauro","Synthesis, crystal structure and antibacterial studies of dihydropyrimidines and their regioselectively oxidized products","RSC Advances","2021","11","11","6312","6329","10.1039/D0RA10255E","","","0.7107","MoKα","","0.0641","0.0541","","","0.1526","0.1676","","","","","","1.098","","","","has coordinates","261515","2021-02-04","21:25:56",""
"7242232","23.7495","0.0015","23.7495","0.0015","4.8467","0.0003","90","","90","","90","","2733.7","0.3","100","2","100","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C14 H13 N3 O3 -","- C14 H13 N3 O3 -","- C112 H104 N24 O24 -","8","1","","Huseynzada, Alakbar E.; Jelch, Christian; Akhundzada, Haji Vahid N.; Soudani, Sarra; Ben Nasr, Cherif; Israyilova, Aygun; Doria, Filippo; Hasanova, Ulviyya A.; Khankishiyeva, Rana F.; Freccero, Mauro","Synthesis, crystal structure and antibacterial studies of dihydropyrimidines and their regioselectively oxidized products","RSC Advances","2021","11","11","6312","6329","10.1039/D0RA10255E","","","0.71073","MoKα","","0.0663","0.0524","","","0.1147","0.1201","","","","","","1.005","","","","has coordinates","261515","2021-02-04","21:25:56",""
"7242251","14.3718","0.0004","5.0528","0.0002","19.9057","0.0006","90","","92.002","0.002","90","","1444.63","0.08","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Br N3 O2 S -","- C14 H12 Br N3 O2 S -","- C56 H48 Br4 N12 O8 S4 -","4","1","","Boujdi, Khalid; El Brahmi, Nabil; Graton, Jérôme; Dubreuil, Didier; Collet, Sylvain; Mathé-Allainmat, Monique; Akssira, Mohamed; Lebreton, Jacques; El Kazzouli, Saïd","A regioselective C7 bromination and C7 palladium-catalyzed Suzuki‒Miyaura cross-coupling arylation of 4-substituted NH-free indazoles","RSC Advances","2021","11","12","7107","7114","10.1039/D0RA08598G","","","1.54184","CuKα","","0.038","0.035","","","0.0887","0.0909","","","","","","1.093","","","","has coordinates","261879","2021-02-11","05:31:10",""
"7242252","10.7593","0.0003","10.8776","0.0003","16.3514","0.0004","90","","104.633","0.003","90","","1851.62","0.09","123","","123","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H18 O P -","- C25 H18 O P -","- C100 H72 O4 P4 -","4","1","","Kitagawa, Yuichi; Naito, Ayu; Fushimi, Koji; Hasegawa, Yasuchika","Bright sky-blue fluorescence with high color purity: assembly of luminescent diphenyl-anthracene lutetium-based coordination polymer","RSC Advances","2021","11","12","6604","6606","10.1039/D0RA10795F","","x-ray","0.71073","MoKα","","0.0467","0.0407","","","0.1075","0.1112","","","","","","1.033","","","","has coordinates","261880","2021-02-11","05:31:59",""
"7242253","18.1201","0.0003","13.7081","0.0002","25.8676","0.0004","90","","93.24","0.002","90","","6415.04","0.17","123","","123","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C65 H39 F18 Lu O8 P2 -","- C65 H39 F18 Lu O8 P2 -","- C260 H156 F72 Lu4 O32 P8 -","4","1","","Kitagawa, Yuichi; Naito, Ayu; Fushimi, Koji; Hasegawa, Yasuchika","Bright sky-blue fluorescence with high color purity: assembly of luminescent diphenyl-anthracene lutetium-based coordination polymer","RSC Advances","2021","11","12","6604","6606","10.1039/D0RA10795F","","x-ray","0.71073","MoKα","","0.0444","0.0351","","","0.1185","0.1282","","","","","","1.059","","","","has coordinates","261880","2021-02-11","05:32:08",""
"7242254","21.8547","0.0005","15.3407","0.0002","23.4512","0.0006","90","","97.198","0.002","90","","7800.4","0.3","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C130 H78 F36 Lu2 O16 P4 -","- C130 H78 F36 Lu2 O16 P4 -","- C260 H156 F72 Lu4 O32 P8 -","2","1","","Kitagawa, Yuichi; Naito, Ayu; Fushimi, Koji; Hasegawa, Yasuchika","Bright sky-blue fluorescence with high color purity: assembly of luminescent diphenyl-anthracene lutetium-based coordination polymer","RSC Advances","2021","11","12","6604","6606","10.1039/D0RA10795F","","x-ray","0.71073","MoKα","","0.0664","0.053","","","0.1339","0.1417","","","","","","1.025","","","","has coordinates","261880","2021-02-11","05:32:10",""
"7242255","11.5093","0.0002","13.0753","0.0002","10.9809","0.0002","90","","112.31","0.002","90","","1528.79","0.05","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N5 O -","- C17 H19 N5 O -","- C68 H76 N20 O4 -","4","1","","El Haimer, Mohamed; Palkó, Márta; Haukka, Matti; Gajdács, Márió; Zupkó, István; Fülöp, Ferenc","Synthesis and biological evaluation of the new ring system benzo[f]pyrimido[1,2-d][1,2,3]triazolo[1,5-a][1,4]diazepine and its cycloalkane and cycloalkene condensed analogues","RSC Advances","2021","11","12","6952","6957","10.1039/D0RA10553H","","","1.54184","CuKα","","0.0379","0.0356","","","0.0935","0.0959","","","","","","1.041","","","","has coordinates","261881","2021-02-11","05:33:05",""
"7242256","21.0136","0.0003","8.3987","0.0001","18.1668","0.0003","90","","100.948","0.002","90","","3147.85","0.08","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Br N5 O -","- C18 H16 Br N5 O -","- C144 H128 Br8 N40 O8 -","8","1","","El Haimer, Mohamed; Palkó, Márta; Haukka, Matti; Gajdács, Márió; Zupkó, István; Fülöp, Ferenc","Synthesis and biological evaluation of the new ring system benzo[f]pyrimido[1,2-d][1,2,3]triazolo[1,5-a][1,4]diazepine and its cycloalkane and cycloalkene condensed analogues","RSC Advances","2021","11","12","6952","6957","10.1039/D0RA10553H","","","1.54184","CuKα","","0.0233","0.0216","","","0.0557","0.057","","","","","","1.047","","","","has coordinates","261881","2021-02-11","05:33:14",""
"7242257","10.9556","0.0001","8.1734","0.0001","16.6676","0.0002","90","","98.876","0.001","90","","1474.62","0.03","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N5 O -","- C17 H19 N5 O -","- C68 H76 N20 O4 -","4","1","","El Haimer, Mohamed; Palkó, Márta; Haukka, Matti; Gajdács, Márió; Zupkó, István; Fülöp, Ferenc","Synthesis and biological evaluation of the new ring system benzo[f]pyrimido[1,2-d][1,2,3]triazolo[1,5-a][1,4]diazepine and its cycloalkane and cycloalkene condensed analogues","RSC Advances","2021","11","12","6952","6957","10.1039/D0RA10553H","","","1.54184","CuKα","","0.0357","0.035","","","0.09","0.0908","","","","","","1.059","","","","has coordinates","261881","2021-02-11","05:33:17",""
"7242265","9.39175","0.00004","9.39175","0.00004","6.8552","0.00003","90","","90","","120","","523.653","0.004","293","","293","","","","","","","","","4","P 63/m","-P 6c","176","","terbium calcium silicate oxide apatite","","- Ca2 O26 Si6 Tb8 -","- Ca2.0022 O26 Si6 Tb7.9978 -","- Ca2.0022 O26 Si6 Tb7.9978 -","1","0.0833333","","Zykin, Mikhail A.; Dyakonov, Andrey K.; Eliseev, Artem A.; Trusov, Lev A.; Kremer, Reinhard K.; Dinnebier, Robert E.; Jansen, Martin; Kazin, Pavel E.","Tb-based silicate apatites showing slow magnetization relaxation with identical parameters for the Tb3+ and Dy3+ counter ions","RSC Advances","2021","11","12","6926","6933","10.1039/D1RA00613D","powder diffraction","x-ray","1.5406","CuKalpha1","","0.0131","0.0127","","0.0193","0.0193","","","","1.85","","","","","","","has coordinates","261954","2021-02-15","05:10:22",""
"7242266","16.7218","0.0002","19.244","0.0003","20.251","0.0003","90","","99.659","0.001","90","","6424.28","0.16","150","0.1","150","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 Cl N O Pd Te -","- C16 H16 Cl N O Pd Te -","- C256 H256 Cl16 N16 O16 Pd16 Te16 -","16","4","","Arora, Aayushi; Oswal, Preeti; Rao, Gyandshwar K.; Kumar, Sushil; Singh, Ajai K.; Kumar, Arun","Catalytically active nanosized Pd9Te4 (telluropalladinite) and PdTe (kotulskite) alloys: first precursor-architecture controlled synthesis using palladium complexes of organotellurium compounds as single source precursors","RSC Advances","2021","11","13","7214","7224","10.1039/D0RA08732G","","x-ray","0.71073","MoKα","","0.0444","0.0331","","","0.0739","0.0841","","","","","","1.0431","","","","has coordinates","261955","2021-02-15","05:10:57",""
"7242267","7.9079","0.0008","8.4514","0.001","8.5568","0.0007","83.934","0.008","87.438","0.008","86.644","0.009","567.27","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H11 Cl2 N Pd Te -","- C8 H11 Cl2 N Pd Te -","- C16 H22 Cl4 N2 Pd2 Te2 -","2","1","","Arora, Aayushi; Oswal, Preeti; Rao, Gyandshwar K.; Kumar, Sushil; Singh, Ajai K.; Kumar, Arun","Catalytically active nanosized Pd9Te4 (telluropalladinite) and PdTe (kotulskite) alloys: first precursor-architecture controlled synthesis using palladium complexes of organotellurium compounds as single source precursors","RSC Advances","2021","11","13","7214","7224","10.1039/D0RA08732G","","","0.71073","MoKα","","0.0478","0.0355","","","0.0725","0.0821","","","","","","1.059","","","","has coordinates","261955","2021-02-15","05:10:57",""
"7242283","12.909","0.0004","31.7496","0.0012","12.5191","0.0004","90","","103.998","0.002","90","","4978.7","0.3","250","2","250","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H50 Br4 Cl2 N4 O4 Re2 -","- C41 H50 Br4 Cl2 N4 O4 Re2 -","- C164 H200 Br16 Cl8 N16 O16 Re8 -","4","1","","Schindler, Kevin; Crochet, Aurélien; Zobi, Fabio","Aerobically stable and substitutionally labile α-diimine rhenium dicarbonyl complexes","RSC Advances","2021","11","13","7511","7520","10.1039/D1RA00514F","","x-ray","0.71073","MoKα","","0.1248","0.0509","","","0.0992","0.1214","","","","","","1.007","","","","has coordinates,has disorder","262019","2021-02-17","05:19:58",""
"7242284","32.6007","0.0005","12.2199","0.0001","18.8003","0.0003","90","","101.704","0.001","90","","7333.89","0.18","200","2","200","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C30 H34 F6 N4 O2 P Re -","- C30 H34 F6 N4 O2 P Re -","- C240 H272 F48 N32 O16 P8 Re8 -","8","1","","Schindler, Kevin; Crochet, Aurélien; Zobi, Fabio","Aerobically stable and substitutionally labile α-diimine rhenium dicarbonyl complexes","RSC Advances","2021","11","13","7511","7520","10.1039/D1RA00514F","","x-ray","1.54186","CuKα","","0.0442","0.0422","","","0.1171","0.119","","","","","","1.065","","","","has coordinates,has disorder","262019","2021-02-17","05:19:59",""
"7242285","15.1687","0.0003","17.1375","0.0003","12.0964","0.0002","90","","90","","90","","3144.5","0.1","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C29 H42 Br N4 O2 Re -","- C24 H30 Br N4 O2 Re -","- C96 H120 Br4 N16 O8 Re4 -","4","0.5","","Schindler, Kevin; Crochet, Aurélien; Zobi, Fabio","Aerobically stable and substitutionally labile α-diimine rhenium dicarbonyl complexes","RSC Advances","2021","11","13","7511","7520","10.1039/D1RA00514F","","x-ray","1.54186","CuKα","","0.0237","0.0234","","","0.0614","0.0615","","","","","","1.116","","","","has coordinates,has disorder","262019","2021-02-17","05:19:59",""
"7242286","12.3996","0.0003","13.8863","0.0003","19.1424","0.0005","90","","100.747","0.002","90","","3238.21","0.14","250","2","250","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 F6 N6 O2 P Re -","- C28 H36 F6 N6 O2 P Re -","- C112 H144 F24 N24 O8 P4 Re4 -","4","1","","Schindler, Kevin; Crochet, Aurélien; Zobi, Fabio","Aerobically stable and substitutionally labile α-diimine rhenium dicarbonyl complexes","RSC Advances","2021","11","13","7511","7520","10.1039/D1RA00514F","","x-ray","0.71073","MoKα","","0.0359","0.0288","","","0.0659","0.0698","","","","","","1.044","","","","has coordinates","262019","2021-02-17","05:19:59",""
"7242287","12.4068","0.0008","13.9121","0.0006","16.1781","0.0007","90","","90","","90","","2792.4","0.2","250","2","250","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C21 H25 Br Cl4 N2 O2 Re -","- C21 H25 Br Cl4 N2 O2 Re -","- C84 H100 Br4 Cl16 N8 O8 Re4 -","4","0.5","","Schindler, Kevin; Crochet, Aurélien; Zobi, Fabio","Aerobically stable and substitutionally labile α-diimine rhenium dicarbonyl complexes","RSC Advances","2021","11","13","7511","7520","10.1039/D1RA00514F","","x-ray","0.71073","MoKα","","0.1118","0.0778","","","0.2133","0.2417","","","","","","1.033","","","","has coordinates,has disorder","262019","2021-02-17","05:19:59",""
"7242288","14.2929","0.0003","17.3769","0.0003","10.1717","0.0002","90","","90","","90","","2526.31","0.08","200","2","200","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C24 H30 Br N4 O2 Re -","- C24 H30 Br N4 O2 Re -","- C96 H120 Br4 N16 O8 Re4 -","4","0.5","","Schindler, Kevin; Crochet, Aurélien; Zobi, Fabio","Aerobically stable and substitutionally labile α-diimine rhenium dicarbonyl complexes","RSC Advances","2021","11","13","7511","7520","10.1039/D1RA00514F","","x-ray","1.54186","CuKα","","0.0234","0.0227","","","0.0566","0.0574","","","","","","1.116","","","","has coordinates,has disorder","262019","2021-02-17","05:19:59",""
"7242289","13.5302","0.0002","34.6388","0.0007","15.2486","0.0002","90","","90","","90","","7146.6","0.2","200","2","200","2","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C25 H29 Br N3 O2 Re -","- C25 H29 Br N3 O2 Re -","- C200 H232 Br8 N24 O16 Re8 -","8","0.5","","Schindler, Kevin; Crochet, Aurélien; Zobi, Fabio","Aerobically stable and substitutionally labile α-diimine rhenium dicarbonyl complexes","RSC Advances","2021","11","13","7511","7520","10.1039/D1RA00514F","","x-ray","1.54186","CuKα","","0.0457","0.0439","","","0.1308","0.1329","","","","","","1.094","","","","has coordinates,has disorder","262019","2021-02-17","05:19:59",""
"7242290","18.8689","0.0003","13.4662","0.0002","28.4268","0.0005","90","","90","","90","","7223","0.2","200","2","200","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H39 Br N2 O2 P Re -","- C38 H39 Br N2 O2 P Re -","- C304 H312 Br8 N16 O16 P8 Re8 -","8","1","","Schindler, Kevin; Crochet, Aurélien; Zobi, Fabio","Aerobically stable and substitutionally labile α-diimine rhenium dicarbonyl complexes","RSC Advances","2021","11","13","7511","7520","10.1039/D1RA00514F","","x-ray","1.54186","CuKα","","0.0228","0.0204","","","0.0516","0.0528","","","","","","1.024","","","","has coordinates,has disorder","262019","2021-02-17","05:19:59",""
"7242291","32.1948","0.001","12.3447","0.0003","28.1669","0.0009","90","","144.094","0.001","90","","6565.1","0.4","250","2","250","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C29 H35 F6 N5 O2 P Re -","- C29 H35 F6 N5 O2 P Re -","- C232 H280 F48 N40 O16 P8 Re8 -","8","1","","Schindler, Kevin; Crochet, Aurélien; Zobi, Fabio","Aerobically stable and substitutionally labile α-diimine rhenium dicarbonyl complexes","RSC Advances","2021","11","13","7511","7520","10.1039/D1RA00514F","","x-ray","0.71073","MoKα","","0.0694","0.0438","","","0.1009","0.1105","","","","","","1.06","","","","has coordinates","262019","2021-02-17","05:19:59",""
"7242292","16.983","0.003","5.7953","0.0009","19.334","0.003","90","","111.694","0.011","90","","1768.1","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 F3 N4 O4 -","- C18 H17 F3 N4 O4 -","- C72 H68 F12 N16 O16 -","4","1","","Elagawany, Mohamed; Maram, Lingaiah; Elgendy, Bahaa","Novel synthesis of benzotriazolyl alkyl esters: an unprecedented CH2 insertion","RSC Advances","2021","11","13","7564","7569","10.1039/D0RA10413B","","","0.71073","MoKα","","0.1562","0.0655","","","0.1408","0.1787","","","","","","1.008","","","","has coordinates","262052","2021-02-18","05:20:33",""
"7242293","7.5133","0.0002","15.9736","0.0006","22.5132","0.0008","90","","94.998","0.003","90","","2691.64","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cd Cl4 N6 -","- C26 H24 Cd Cl4 N6 -","- C104 H96 Cd4 Cl16 N24 -","4","1","","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Lobko, Yevheniia V.; Linnik, Rostyslav P.; Kokozay, Vladimir N.; Skelton, Brian W.","Organic‒inorganic hybrid tetrachlorocadmates as promising fluorescent agents for cross-linked polyurethanes: synthesis, crystal structures and extended performance analysis","RSC Advances","2021","11","13","7713","7722","10.1039/D0RA10787E","","","0.71073","MoKα","","0.0788","0.0627","","","0.1328","0.1411","","","","","","1.045","","","","has coordinates","262084","2021-02-19","05:23:56",""
"7242294","9.4184","0.0003","10.7646","0.0004","10.7332","0.0004","99.055","0.003","110.834","0.004","90.861","0.003","1001.39","0.07","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H18 Cd Cl4 N4 -","- C16 H18 Cd Cl4 N4 -","- C32 H36 Cd2 Cl8 N8 -","2","1","","Vassilyeva, Olga Yu.; Buvaylo, Elena A.; Lobko, Yevheniia V.; Linnik, Rostyslav P.; Kokozay, Vladimir N.; Skelton, Brian W.","Organic‒inorganic hybrid tetrachlorocadmates as promising fluorescent agents for cross-linked polyurethanes: synthesis, crystal structures and extended performance analysis","RSC Advances","2021","11","13","7713","7722","10.1039/D0RA10787E","","x-ray","0.71073","MoKα","","0.056","0.0375","","","0.0761","0.0847","","","","","","1.033","","","","has coordinates","262084","2021-02-19","05:23:57",""
"7242295","12.7815","0.0003","12.7815","0.0003","12.6563","0.0003","90","","90","","120","","1790.61","0.07","100","0.3","100","0.3","","","","","","","","5","P 32","P 32","145","","","","- C24 H20 O8 P2 Zn -","- C24 H20 O8 P2 Zn -","- C72 H60 O24 P6 Zn3 -","3","1","","Dębowski, Maciej; Florjańczyk, Zbigniew; Ostrowski, Andrzej; Guńka, Piotr A.; Zachara, Janusz; Krztoń-Maziopa, Anna; Chazarkiewicz, Jakub; Iuliano, Anna; Plichta, Andrzej","1D and 2D hybrid polymers based on zinc phenylphosphates: synthesis, characterization and applications in electroactive materials","RSC Advances","2021","11","14","7873","7885","10.1039/D0RA09493E","","","0.71073","MoKα","","0.0253","0.0244","","","0.0553","0.0559","","","","","","1.023","","","","has coordinates","262085","2021-02-19","05:24:28",""
"7242299","13.293","0.003","18.175","0.004","22.565","0.005","104.83","0.03","103.52","0.03","90.14","0.03","5113","2","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C52.25 H45 B2 F2 Fe N7 O9 S2 -","- C52.25 H45 B2 F2 Fe N7 O9 S2 -","- C209 H180 B8 F8 Fe4 N28 O36 S8 -","4","2","","Selin, Roman O.; Klemt, Insa; Chernii, Viktor Ya.; Losytskyy, Mykhaylo Yu.; Chernii, Svitlana; Mular, Andrzej; Gumienna-Kontecka, Elzbieta; Kovalska, Vladyslava B.; Voloshin, Yan Z.; Vologzhanina, Anna V.; Dorovatovskii, Pavel V.; Mokhir, Andriy","Synthesis and spectral characterization of the first fluorescein-tagged iron(ii) clathrochelates, their supramolecular interactions with globular proteins, and cellular uptake","RSC Advances","2021","11","14","8163","8177","10.1039/D0RA10502C","","","0.7927","synchrotron","","0.2246","0.0959","","","0.1669","0.2272","","","","","","0.992","","","","has coordinates,has disorder","262182","2021-02-24","05:30:30",""
"7242300","10.568","0.002","13.475","0.003","21.853","0.004","90","","92.35","0.03","90","","3109.3","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H64 N24 O5 P4 -","- C60 H64 N24 O5 P4 -","- C120 H128 N48 O10 P8 -","2","0.5","","Sebghati, Marjan; Tarahhomi, Atekeh; Bozorgvar, Marjan Sadat; Dumitrescu, Dan G.; van der Lee, Arie","Coordination versus hydrogen bonds in the structures of different tris(pyridin-2-yl)phosphoric triamide derivatives","RSC Advances","2021","11","14","8178","8197","10.1039/D0RA10539B","","","0.7","synchrotron","","0.0359","0.0354","","","0.0941","0.0947","","","","","","1.043","","","","has coordinates,has disorder","262184","2021-02-24","05:31:44",""
"7242301","11.5393","0.0016","8.6391","0.0006","8.8358","0.0009","90","","95.746","0.011","90","","876.41","0.16","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C5 H11 Cu N O6 -","- C5 H11 Cu N O6 -","- C20 H44 Cu4 N4 O24 -","4","0.5","","Sebghati, Marjan; Tarahhomi, Atekeh; Bozorgvar, Marjan Sadat; Dumitrescu, Dan G.; van der Lee, Arie","Coordination versus hydrogen bonds in the structures of different tris(pyridin-2-yl)phosphoric triamide derivatives","RSC Advances","2021","11","14","8178","8197","10.1039/D0RA10539B","","","0.7","synchrotron","","0.0931","0.0734","","","0.2243","0.2824","","","","","","1.171","","","","has coordinates","262184","2021-02-24","05:31:44",""
"7242302","10.004","0.0014","10.004","0.0014","28.42","0.006","90","","90","","120","","2463.2","0.7","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C15 H15 N6 O P -","- C15 H15 N6 O P -","- C90 H90 N36 O6 P6 -","6","0.333333","","Sebghati, Marjan; Tarahhomi, Atekeh; Bozorgvar, Marjan Sadat; Dumitrescu, Dan G.; van der Lee, Arie","Coordination versus hydrogen bonds in the structures of different tris(pyridin-2-yl)phosphoric triamide derivatives","RSC Advances","2021","11","14","8178","8197","10.1039/D0RA10539B","","","0.7","synchrotron","","0.0375","0.0373","","","0.1088","0.109","","","","","","1.085","","","","has coordinates","262184","2021-02-24","05:31:45",""
"7242303","8.513","0.0017","15.816","0.003","26.981","0.005","90","","93.06","0.03","90","","3627.6","1.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Cl3.05 Co N12 O2 P2 -","- C30 H32 Cl3.053 Co N12 O2 P2 -","- C120 H128 Cl12.212 Co4 N48 O8 P8 -","4","1","","Sebghati, Marjan; Tarahhomi, Atekeh; Bozorgvar, Marjan Sadat; Dumitrescu, Dan G.; van der Lee, Arie","Coordination versus hydrogen bonds in the structures of different tris(pyridin-2-yl)phosphoric triamide derivatives","RSC Advances","2021","11","14","8178","8197","10.1039/D0RA10539B","","","0.7","synchrotron","","0.0576","0.0492","","","0.1503","0.1598","","","","","","1.037","","","","has coordinates","262184","2021-02-24","05:31:45",""
"7242304","10.625","0.002","18.707","0.004","20.479","0.004","90","","98.25","0.03","90","","4028.3","1.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H23 N7 O2.5 P -","- C18 H23 N7 O2.5 P -","- C144 H184 N56 O20 P8 -","8","2","","Sebghati, Marjan; Tarahhomi, Atekeh; Bozorgvar, Marjan Sadat; Dumitrescu, Dan G.; van der Lee, Arie","Coordination versus hydrogen bonds in the structures of different tris(pyridin-2-yl)phosphoric triamide derivatives","RSC Advances","2021","11","14","8178","8197","10.1039/D0RA10539B","","","0.7","synchrotron","","0.0402","0.0399","","","0.1065","0.1069","","","","","","1.06","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7242305","10.4277","0.0003","8.5846","0.0002","22.3869","0.0005","90","","98.044","0.001","90","","1984.3","0.09","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 F N2 O3 -","- C21 H25 F N2 O3 -","- C84 H100 F4 N8 O12 -","4","1","","Peng, Wan; Liu, Qiaohong; Yin, Fucheng; Shi, Cunjian; Ji, Limei; Qu, Lailiang; Wang, Cheng; Luo, Heng; Kong, Lingyi; Wang, Xiaobing","Rhodium(iii) catalyzed olefination and deuteration of tetrahydrocarbazole","RSC Advances","2021","11","14","8356","8361","10.1039/D1RA00236H","","","1.54178","CuKα","","0.056","0.0483","","","0.1256","0.1354","","","","","","1.04","","","","has coordinates,has disorder","262185","2021-02-24","05:32:30",""
"7242328","7.9474","0.0012","17.258","0.003","21.615","0.003","86.131","0.002","89.164","0.002","89.851","0.002","2957.6","0.8","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H15 Br O4 -","- C16 H15 Br O4 -","- C128 H120 Br8 O32 -","8","4","","Wang, Yu-Hao; Zhang, De-Hua; Cao, Ze-Hun; Li, Wang-Lai; Huang, Yi-Yong","A formal [3 + 3] cycloaddition of allenyl imide and activated ketones for the synthesis of tetrasubstituted 2-pyrones","RSC Advances","2021","11","15","8867","8870","10.1039/D0RA10686K","","","0.71073","MoKα","","0.1649","0.122","","","0.2111","0.2308","","","","","","1.21","","","","has coordinates","262293","2021-02-27","05:16:13",""
"7242340","14.4368","0.0011","4.9452","0.0004","12.9747","0.001","90","","94.74","0.004","90","","923.13","0.12","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C16 H34 O9 -","- C16 H34 O9 -","- C32 H68 O18 -","2","0.5","","Athiyarath, Vignesh; Roy, Naveen J.; Vijil, A. T. V.; Sureshan, Kana M.","Synthesis of novel seven-membered carbasugars and evaluation of their glycosidase inhibition potentials","RSC Advances","2021","11","16","9410","9420","10.1039/D1RA00804H","","","0.71073","MoKα","","0.0663","0.0593","","","0.1522","0.157","","","","","","1.062","","","","has coordinates","262379","2021-03-03","06:36:48",""
"7242341","4.7565","0.0002","25.9753","0.0013","6.1401","0.0003","90","","94.072","0.003","90","","756.7","0.06","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O6 -","- C15 H22 O6 -","- C30 H44 O12 -","2","1","","Athiyarath, Vignesh; Roy, Naveen J.; Vijil, A. T. V.; Sureshan, Kana M.","Synthesis of novel seven-membered carbasugars and evaluation of their glycosidase inhibition potentials","RSC Advances","2021","11","16","9410","9420","10.1039/D1RA00804H","","","0.71073","MoKα","","0.0509","0.0446","","","0.1183","0.124","","","","","","1.032","","","","has coordinates","262379","2021-03-03","06:36:51",""
"7242342","8.3209","0.0005","46.084","0.005","5.1719","0.0002","90","","90","","90","","1983.2","0.3","100","0.1","100","0.1","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H20 F3 N5 O5 S -","- C18 H20 F3 N5 O5 S -","- C72 H80 F12 N20 O20 S4 -","4","1","","Boles, Jessica E.; Ellaby, Rebecca J.; Shepherd, Helena J.; Hiscock, Jennifer R.","Supramolecular self-associating amphiphiles (SSAs) as enhancers of antimicrobial agents towards Escherichia coli (E. coli)","RSC Advances","2021","11","16","9550","9556","10.1039/D1RA00998B","","x-ray","1.54184","CuKα","","0.1158","0.0787","","","0.1516","0.1732","","","","","","1.038","","","","has coordinates","262458","2021-03-04","05:34:19",""
"7242345","11.3843","0.0005","11.4267","0.0005","11.6597","0.0005","99.91","0.002","106.378","0.002","95.26","0.002","1417.63","0.11","296","2","296","2","","","","","","","","4","P 1","P 1","1","Nil","(2S,3aR,6S,7aR,8S)-2-(iodomethyl)-6,7,7-trimethylhexahydro-2H-3a,6-methanobenzofuran-8-ol","","- C13 H21 I O2 -","- C13 H21 I O2 -","- C52 H84 I4 O8 -","4","4","","Rao, H. Surya Prakash; Saha, Ahana; Vijjapu, Satish","Studies in the rearrangement reactions involving camphorquinone","RSC Advances","2021","11","13","7180","7186","10.1039/D0RA09839F","","","0.71073","MoKα","","0.065","0.0576","","","0.1656","0.1725","","","","","","1.08","","","","has coordinates","262464","2021-03-04","23:46:12",""
"7242346","6.942","0.0008","10.4314","0.0012","16.881","0.002","90","","90","","90","","1222.4","0.2","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(1R,2S,3R,4S)-(+)-1,7,7-trimethyl-3-(propa-1,2-dien-lyl)bicyclo[2.2.1]heptane-2,3-diol","","- C13 H20 O2 -","- C10.4 H16 O1.6 -","- C52 H80 O8 -","5","1.25","","Rao, H. Surya Prakash; Saha, Ahana; Vijjapu, Satish","Studies in the rearrangement reactions involving camphorquinone","RSC Advances","2021","11","13","7180","7186","10.1039/D0RA09839F","","","0.71073","MoKα","","0.1013","0.0542","","","0.0975","0.1209","","","","","","1.075","","","","has coordinates","262464","2021-03-04","23:46:13",""
"7242347","3.8023","0.0006","6.168","0.001","14.583","0.002","98.324","0.01","95.514","0.009","95.661","0.009","334.63","0.09","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H10 F4 -","- C18 H10 F4 -","- C18 H10 F4 -","1","0.5","","Adeel, Muhammad; Khalid, Muhammad; Ullah, Malik Aman; Muhammad, Shabbir; Khan, Muhammad Usman; Tahir, Muhammad Nawaz; Khan, Ilham; Asghar, Muhammad; Mughal, Khawar Shahzad","Exploration of CH⋯F & CF⋯H mediated supramolecular arrangements into fluorinated terphenyls and theoretical prediction of their third-order nonlinear optical response","RSC Advances","2021","11","14","7766","7778","10.1039/D0RA08528F","","","0.71073","MoKα","","0.1248","0.0672","","","0.164","0.1876","","","","","","0.997","","","","has coordinates","262465","2021-03-04","23:48:17",""
"7242348","13.5116","0.0009","5.865","0.0004","14.3546","0.001","90","","100.463","0.004","90","","1118.62","0.13","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4''-Diphenoxy-2',5'-difluoro-1,1':4',1''-terphenyl","","- C30 H20 F2 O2 -","- C30 H20 F2 O2 -","- C60 H40 F4 O4 -","2","0.5","","Adeel, Muhammad; Khalid, Muhammad; Ullah, Malik Aman; Muhammad, Shabbir; Khan, Muhammad Usman; Tahir, Muhammad Nawaz; Khan, Ilham; Asghar, Muhammad; Mughal, Khawar Shahzad","Exploration of CH⋯F & CF⋯H mediated supramolecular arrangements into fluorinated terphenyls and theoretical prediction of their third-order nonlinear optical response","RSC Advances","2021","11","14","7766","7778","10.1039/D0RA08528F","","","0.71073","MoKα","","0.0952","0.0647","","","0.1791","0.191","","","","","","1.38","","","","has coordinates","262465","2021-03-04","23:48:18",""
"7242349","13.5172","0.0012","7.2166","0.0005","6.7331","0.0006","90","","96.411","0.004","90","","652.69","0.09","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 F2 -","- C18 H12 F2 -","- C36 H24 F4 -","2","0.5","","Adeel, Muhammad; Khalid, Muhammad; Ullah, Malik Aman; Muhammad, Shabbir; Khan, Muhammad Usman; Tahir, Muhammad Nawaz; Khan, Ilham; Asghar, Muhammad; Mughal, Khawar Shahzad","Exploration of CH⋯F & CF⋯H mediated supramolecular arrangements into fluorinated terphenyls and theoretical prediction of their third-order nonlinear optical response","RSC Advances","2021","11","14","7766","7778","10.1039/D0RA08528F","","","0.71073","MoKα","","0.0919","0.0749","","","0.2028","0.2269","","","","","","1.056","","","","has coordinates","262465","2021-03-04","23:48:18",""
"7242350","47.9882","0.0019","47.9882","0.0019","13.3456","0.001","90","","90","","120","","26616","2","296","2","296.15","","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","","- C35 H27 Eu N3 O16 Zn -","- C29 H11 Eu N O13 Zn -","- C522 H198 Eu18 N18 O234 Zn18 -","18","0.5","","Zhang, Tao; Chen, Hongtai; Lv, Hongxiao; Li, Qiaoling; Zhang, Xiutang","Nanochannel-based heterometallic {ZnIIHoIII}‒organic framework with high catalytic activity for the chemical fixation of CO2","RSC Advances","2021","11","16","9731","9739","10.1039/D1RA00590A","","","0.71073","MoKα","","0.0544","0.0469","","","0.1116","0.1159","","","","","","1.093","","","","has coordinates,has disorder","262737","2021-03-05","05:26:31",""
"7242360","7.3904","0.0008","19.8941","0.0014","11.3675","0.0011","90","","90.409","0.009","90","","1671.3","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","pyrazolo[3,4-c]pyrazole","","","- C19 H18 N4 O2 -","- C19 H18 N4 O2 -","- C76 H72 N16 O8 -","4","1","","Ostache, Nicu-Cosmin; Hiebel, Marie-Aude; Fînaru, Adriana-Luminiţa; Allouchi, Hassan; Guillaumet, Gérald; Suzenet, Franck","Access and modulation of substituted 1-methyl-1,6-dihydropyrazolo[3,4-c]pyrazoles","RSC Advances","2021","11","16","9756","9765","10.1039/D1RA00314C","","x-ray","0.71073","MoKα","","0.1309","0.0603","","","0.1233","0.1584","","","","","","0.974","","","","has coordinates","262790","2021-03-06","05:43:06",""
"7242369","10.5801","0.0019","16.028","0.004","17.16","0.004","71.903","0.007","72.493","0.006","77.17","0.008","2611.2","1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","PAC24.5","","","- C62 H72 S3 -","- C62 H72 S3 -","- C124 H144 S6 -","2","1","","Anghel, Cătălin C.; Stroia, Ioan; Pop, Alexandra; Bende, Atilla; Grosu, Ion; Hădade, Niculina D.; Roncali, Jean","An attempt to synthesize a terthienyl-based analog of indacenedithiophene (IDT): unexpected synthesis of a naphtho[2,3-b]thiophene derivative","RSC Advances","2021","11","17","9894","9900","10.1039/D1RA00659B","","","0.71073","MoKα","","0.0825","0.0545","","","0.1286","0.1474","","","","","","1.046","","","","has coordinates","262907","2021-03-09","05:33:31",""
"7242384","11.263","0.002","12.253","0.003","36.822","0.007","90","","90","","90","","5081.6","1.8","225","2","225","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","BDP-OH","","- C32 H22 B F2 N3 O2 -","- C32 H22 B F2 N3 O2 -","- C256 H176 B8 F16 N24 O16 -","8","2","","Pham, Thanh Chung; Choi, Yeonghwan; Bae, Chaeeon; Tran, Cong So; Kim, Dongwon; Jung, Ok-Sang; Kang, Yong-Cheol; Seo, SungYong; Kim, Hyun Sung; Yun, Hwayoung; Zhou, Xin; Lee, Songyi","A molecular design towards sulfonyl aza-BODIPY based NIR fluorescent and colorimetric probe for selective cysteine detection","RSC Advances","2021","11","17","10154","10158","10.1039/D0RA10567H","","","0.7","synchrotron","","0.0864","0.0537","","","0.1316","0.1458","","","","","","0.972","","","","has coordinates,has disorder","262987","2021-03-11","05:31:07",""
"7242385","16.04","0.003","17.1","0.003","17.864","0.004","116.45","0.03","103.07","0.03","103.99","0.03","3930","2","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","BDP-3","","- C46 H34 B F2 N3 O6 S2 -","- C46 H34 B F2 N3 O6 S2 -","- C184 H136 B4 F8 N12 O24 S8 -","4","2","","Pham, Thanh Chung; Choi, Yeonghwan; Bae, Chaeeon; Tran, Cong So; Kim, Dongwon; Jung, Ok-Sang; Kang, Yong-Cheol; Seo, SungYong; Kim, Hyun Sung; Yun, Hwayoung; Zhou, Xin; Lee, Songyi","A molecular design towards sulfonyl aza-BODIPY based NIR fluorescent and colorimetric probe for selective cysteine detection","RSC Advances","2021","11","17","10154","10158","10.1039/D0RA10567H","","","0.7","synchrotron","","0.1383","0.0942","","","0.2975","0.3206","","","","","","1.135","","","","has coordinates,has disorder","262987","2021-03-11","05:31:13",""
"7242386","7.887","0.0016","42.104","0.008","14.974","0.003","90","","91.65","0.03","90","","4970.4","1.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","BDP-2","","- C56 H44 B F2 N5 O6 S2 -","- C56 H44 B F2 N5 O6 S2 -","- C224 H176 B4 F8 N20 O24 S8 -","4","1","","Pham, Thanh Chung; Choi, Yeonghwan; Bae, Chaeeon; Tran, Cong So; Kim, Dongwon; Jung, Ok-Sang; Kang, Yong-Cheol; Seo, SungYong; Kim, Hyun Sung; Yun, Hwayoung; Zhou, Xin; Lee, Songyi","A molecular design towards sulfonyl aza-BODIPY based NIR fluorescent and colorimetric probe for selective cysteine detection","RSC Advances","2021","11","17","10154","10158","10.1039/D0RA10567H","","","0.71073","MoKα","","0.1163","0.0586","","","0.1599","0.1831","","","","","","0.974","","","","has coordinates","262987","2021-03-11","05:31:20",""
"7242387","17.3","0.004","26.81","0.006","9.422","0.002","90","","102.391","0.004","90","","4268.3","1.6","193","2","193","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H26 B F2 N7 O14 S2 -","- C44 H26 B F2 N7 O14 S2 -","- C176 H104 B4 F8 N28 O56 S8 -","4","1","","Pham, Thanh Chung; Choi, Yeonghwan; Bae, Chaeeon; Tran, Cong So; Kim, Dongwon; Jung, Ok-Sang; Kang, Yong-Cheol; Seo, SungYong; Kim, Hyun Sung; Yun, Hwayoung; Zhou, Xin; Lee, Songyi","A molecular design towards sulfonyl aza-BODIPY based NIR fluorescent and colorimetric probe for selective cysteine detection","RSC Advances","2021","11","17","10154","10158","10.1039/D0RA10567H","","","0.71073","MoKα","","0.0928","0.0494","","","0.1007","0.1204","","","","","","1.023","","","","has coordinates","262987","2021-03-11","05:31:20",""
"7242388","16.404","0.0017","16.5999","0.0019","29.998","0.004","90","","90","","90","","8168.6","1.7","273.15","","273.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C72 H102 F N7 O8 S4 -","- C72 H102 F N7 O8 S4 -","- C288 H408 F4 N28 O32 S16 -","4","1","","Luo, Na; Li, Junhong; Sun, Tao; Wan, Suran; Li, Peijia; Wu, Nan; Yan, Ya; Bao, Xiaoping","Carbazole sulfonamide-based macrocyclic receptors capable of selective complexation of fluoride ion","RSC Advances","2021","11","17","10203","10211","10.1039/D1RA01285A","","x-ray","1.54178","CuKα","","0.1309","0.0803","","","0.2048","0.2396","","","","","","1.018","","","","has coordinates,has disorder","262988","2021-03-11","05:32:32",""
"7242389","18.5696","0.0004","26.4247","0.0006","6.5248","0.0001","90","","90","","90","","3201.69","0.11","150.03","","150.03","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 N3 O4 S2 -","- C28 H33 N3 O4 S2 -","- C112 H132 N12 O16 S8 -","4","1","","Luo, Na; Li, Junhong; Sun, Tao; Wan, Suran; Li, Peijia; Wu, Nan; Yan, Ya; Bao, Xiaoping","Carbazole sulfonamide-based macrocyclic receptors capable of selective complexation of fluoride ion","RSC Advances","2021","11","17","10203","10211","10.1039/D1RA01285A","","x-ray","1.54178","CuKα","","0.0879","0.0834","","","0.2191","0.224","","","","","","1.082","","","","has coordinates,has disorder","262988","2021-03-11","05:32:33",""
"7242390","30.948","0.004","6.6912","0.0008","30.949","0.004","90","","119.496","0.004","90","","5578.2","1.2","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 N4 O4 S2 -","- C27 H32 N4 O4 S2 -","- C216 H256 N32 O32 S16 -","8","2","","Luo, Na; Li, Junhong; Sun, Tao; Wan, Suran; Li, Peijia; Wu, Nan; Yan, Ya; Bao, Xiaoping","Carbazole sulfonamide-based macrocyclic receptors capable of selective complexation of fluoride ion","RSC Advances","2021","11","17","10203","10211","10.1039/D1RA01285A","","","0.71073","MoKα","","0.0771","0.0568","","","0.1334","0.1452","","","","","","1.069","","","","has coordinates,has disorder","262988","2021-03-11","05:32:33",""
"7242391","17.5629","0.0007","18.0137","0.0007","18.846","0.0006","105.518","0.003","96.587","0.003","118.352","0.004","4846","0.4","293","2","293","","","","","","","","","7","P -1","-P 1","2","","","","- C94.5 H58 Eu2 F18 N4 O12 S3 -","- C94.5 H58 Eu2 F18 N4 O12 S3 -","- C189 H116 Eu4 F36 N8 O24 S6 -","2","1","","Yao, Zhiwei; Zhou, Yanyan; Gao, Ting; Yan, Pengfei; Li, Hongfeng","Ancillary ligand modulated stereoselective self-assembly of triple-stranded Eu(iii) helicate featuring circularly polarized luminescence","RSC Advances","2021","11","18","10524","10531","10.1039/D1RA01583D","","","0.71073","MoKα","","0.0716","0.047","","","0.1242","0.1416","","","","","","1.044","","","","has coordinates,has disorder","262989","2021-03-11","05:33:08",""
"7242392","11.372","0.0011","11.372","0.0011","12.5321","0.0019","90","","90","","120","","1403.6","0.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- H4 I6 O20 Sr Ti -","- H4.0002 I6 O20 Sr Ti -","- H12.0006 I18 O60 Sr3 Ti3 -","3","0.166667","","Liu, Kaitong; Han, Jian; Huang, Junben; Wei, Zhonglei; Yang, Zhihua; Pan, Shilie","SrTi(IO3)6·2H2O and SrSn(IO3)6: distinct arrangements of lone pair electrons leading to large birefringences","RSC Advances","2021","11","17","10309","10315","10.1039/D0RA10726C","","","0.71073","MoKα","","0.0221","0.0191","","","0.038","0.039","","","","","","1.053","","","","has coordinates","262990","2021-03-11","05:33:55",""
"7242393","11.31","0.03","11.31","0.03","11.36","0.03","90","","90","","120","","1258","6","296","2","296","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- H6 I6 O20 Ti -","- H6 I6 O20 Ti -","- H18 I18 O60 Ti3 -","3","0.166667","","Liu, Kaitong; Han, Jian; Huang, Junben; Wei, Zhonglei; Yang, Zhihua; Pan, Shilie","SrTi(IO3)6·2H2O and SrSn(IO3)6: distinct arrangements of lone pair electrons leading to large birefringences","RSC Advances","2021","11","17","10309","10315","10.1039/D0RA10726C","","","0.71073","MoKα","","0.0361","0.0259","","","0.036","0.0382","","","","","","0.977","","","","has coordinates","262990","2021-03-11","05:33:55",""
"7242394","10.807","0.007","10.807","0.007","11.098","0.007","90","","90","","120","","1122.5","1.2","293","2","293","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- I6 O18 Sn Sr -","- I6 O18 Sn Sr -","- I18 O54 Sn3 Sr3 -","3","0.166667","","Liu, Kaitong; Han, Jian; Huang, Junben; Wei, Zhonglei; Yang, Zhihua; Pan, Shilie","SrTi(IO3)6·2H2O and SrSn(IO3)6: distinct arrangements of lone pair electrons leading to large birefringences","RSC Advances","2021","11","17","10309","10315","10.1039/D0RA10726C","","","0.71073","MoKα","","0.0196","0.0172","","","0.0366","0.0374","","","","","","1.095","","","","has coordinates","262990","2021-03-11","05:33:55",""
"7242395","15.476","0.009","11.366","0.007","16.349","0.009","90","","90.29","0.017","90","","2876","3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N5 O3 -","- C16 H13 N5 O3 -","- C128 H104 N40 O24 -","8","2","","Saha, Sayan; De, Avik; Ghosh, Arijit; Ghosh, Avik; Bera, Kaushik; Das, Krishna Sundar; Akhtar, Sohel; Maiti, Nakul C.; Das, Abhijit Kumar; Das, Benu Brata; Mondal, Raju","Pyridine-pyrazole based Al(iii) ‘turn on’ sensor for MCF7 cancer cell imaging and detection of picric acid","RSC Advances","2021","11","17","10094","10109","10.1039/D1RA00082A","","","0.71073","MoKα","","0.114","0.0635","","","0.1599","0.1896","","","","","","1.116","","","","has coordinates","262991","2021-03-11","05:34:29",""
"7242406","7.3724","0.0002","33.4103","0.0009","11.7744","0.0003","90","","104.009","0.002","90","","2813.94","0.13","296.15","0.02","296.15","0.02","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H50 Cd2 N8 O21 S4 -","- C52 H48 Cd2 N8 O21 S4 -","- C104 H96 Cd4 N16 O42 S8 -","2","0.5","","Tiwari, Ranjay K.; Shruti, Ipsha; Behera, J. N.","Synthesis, structure and the Hirshfeld surface analysis of three novel metal-tiron coordination complexes","RSC Advances","2021","11","18","10767","10776","10.1039/D1RA00207D","","","0.71073","MoKα","","0.0602","0.0373","","","0.0707","0.0795","","","","","","1.03","","","","has coordinates,has disorder","263022","2021-03-13","05:25:37",""
"7242407","9.0487","0.0004","10.2616","0.0003","16.0633","0.0004","75.272","0.002","89.528","0.003","66.293","0.004","1313.35","0.09","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H46 Co3 N6 O26 S4 -","- C42 H46 Co3 N6 O26 S4 -","- C42 H46 Co3 N6 O26 S4 -","1","0.5","","Tiwari, Ranjay K.; Shruti, Ipsha; Behera, J. N.","Synthesis, structure and the Hirshfeld surface analysis of three novel metal-tiron coordination complexes","RSC Advances","2021","11","18","10767","10776","10.1039/D1RA00207D","","x-ray","1.54184","CuKα","","0.0907","0.0852","","","0.2365","0.2435","","","","","","1.097","","","","has coordinates","263022","2021-03-13","05:25:47",""
"7242408","15.8633","0.0018","17.2055","0.0019","8.9423","0.0011","90","","100.403","0.008","90","","2400.6","0.5","296.15","0.02","296.15","0.02","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Ba N2 O10 S2 -","- C16 H14 Ba N2 O10 S2 -","- C64 H56 Ba4 N8 O40 S8 -","4","1","","Tiwari, Ranjay K.; Shruti, Ipsha; Behera, J. N.","Synthesis, structure and the Hirshfeld surface analysis of three novel metal-tiron coordination complexes","RSC Advances","2021","11","18","10767","10776","10.1039/D1RA00207D","","","0.71073","MoKα","","0.0541","0.0384","","","0.0826","0.0903","","","","","","0.98","","","","has coordinates","263022","2021-03-13","05:25:47",""
"7242416","4.8058","0.0005","26.6823","0.0019","7.1899","0.0007","90","","106.575","0.01","90","","883.65","0.15","293","2","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","5-(3-chlorobenzyl)-1H-tetrazole","","- C8 H7 Cl N4 -","- C8 H7 Cl N4 -","- C32 H28 Cl4 N16 -","4","1","","Mittal, Rupali; Kumar, Amit; Awasthi, Satish Kumar","Practical scale up synthesis of carboxylic acids and their bioisosteres 5-substituted-1H-tetrazoles catalyzed by a graphene oxide-based solid acid carbocatalyst","RSC Advances","2021","11","19","11166","11176","10.1039/D1RA01053K","","x-ray","0.71073","MoKα","","0.0832","0.0718","","","0.141","0.1463","","","","","","1.206","","","","has coordinates","263108","2021-03-18","05:29:20",""
"7242417","18.6837","0.0005","14.4095","0.0004","18.9429","0.0005","90","","112.067","0.003","90","","4726.3","0.2","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C53 H36 Ir N4 O4 -","- C53 H36 Ir N4 O4 -","- C212 H144 Ir4 N16 O16 -","4","1","","Ma, Zequn; Jing, Chaojun; Hang, Deyu; Fan, Hongtao; Duan, Lumeng; Fang, Shuqing; Yan, Li","Synthesis, characterization, and photoelectric properties of iridium(iii) complexes containing an N hetero-dibenzofuran C^N ligand","RSC Advances","2021","11","18","11004","11010","10.1039/D0RA10584H","","x-ray","1.54184","CuKα","","0.0709","0.055","","","0.1469","0.1682","","","","","","1.002","","","","has coordinates","263109","2021-03-18","05:29:42",""
"7242418","13.011","0.007","10.48","0.006","13.837","0.008","90","","112.332","0.008","90","","1745.2","1.7","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C38 H36 Li5 N5 O5 -","- C38 H35.124 Li5 N5 O5 -","- C76 H70.248 Li10 N10 O10 -","2","0.5","","Santoro, Orlando; Elsegood, Mark R. J.; Teat, Simon J.; Yamato, Takehiko; Redshaw, Carl","Lithium calix[4]arenes: structural studies and use in the ring opening polymerization of cyclic esters","RSC Advances","2021","11","19","11304","11317","10.1039/D1RA00175B","","","0.71073","MoKα","","0.2977","0.1148","","","0.2025","0.276","","","","","","1.04","","","","has coordinates,has disorder","263110","2021-03-18","05:32:23",""
"7242419","10.5688","0.0009","13.1163","0.0011","17.2651","0.0014","102.602","0.0011","91.2345","0.0012","93.5123","0.0012","2329.8","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C100 H136 Li6 O10 -","- C100 H136 Li6 O10 -","- C100 H136 Li6 O10 -","1","0.5","","Santoro, Orlando; Elsegood, Mark R. J.; Teat, Simon J.; Yamato, Takehiko; Redshaw, Carl","Lithium calix[4]arenes: structural studies and use in the ring opening polymerization of cyclic esters","RSC Advances","2021","11","19","11304","11317","10.1039/D1RA00175B","","","0.7749","synchrotron","","0.0995","0.0717","","","0.2039","0.2283","","","","","","1.058","","","","has coordinates,has disorder","263110","2021-03-18","05:32:33",""
"7242420","13.354","0.012","13.959","0.009","17.735","0.014","70.39","0.04","84.17","0.05","62.02","0.03","2744","4","293","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C108 H146 Li6 O23 S8 -","- C96 H120 Li6 O20 S8 -","- C96 H120 Li6 O20 S8 -","1","0.5","","Santoro, Orlando; Elsegood, Mark R. J.; Teat, Simon J.; Yamato, Takehiko; Redshaw, Carl","Lithium calix[4]arenes: structural studies and use in the ring opening polymerization of cyclic esters","RSC Advances","2021","11","19","11304","11317","10.1039/D1RA00175B","","","0.6889","synchrotron","","0.2148","0.1086","","","0.2623","0.3294","","","","","","0.892","","","","has coordinates,has disorder","263110","2021-03-18","05:32:37",""
"7242421","13.306","0.002","13.306","0.002","19.079","0.003","90","","90","","90","","3377.9","0.9","150","2","150","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C60 H85 Li5 O18 S4 -","- C56 H77 Li5 O17 S4 -","- C112 H154 Li10 O34 S8 -","2","0.25","","Santoro, Orlando; Elsegood, Mark R. J.; Teat, Simon J.; Yamato, Takehiko; Redshaw, Carl","Lithium calix[4]arenes: structural studies and use in the ring opening polymerization of cyclic esters","RSC Advances","2021","11","19","11304","11317","10.1039/D1RA00175B","","","0.71073","MoKα","","0.0941","0.0641","","","0.1721","0.1868","","","","","","1.083","","","","has coordinates","263110","2021-03-18","05:32:49",""
"7242422","11.763","0.014","36.82","0.04","13.119","0.016","90","","96.406","0.011","90","","5647","11","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H90 Li2 O10 -","- C60 H88 Li2 O10 -","- C240 H352 Li8 O40 -","4","2","","Santoro, Orlando; Elsegood, Mark R. J.; Teat, Simon J.; Yamato, Takehiko; Redshaw, Carl","Lithium calix[4]arenes: structural studies and use in the ring opening polymerization of cyclic esters","RSC Advances","2021","11","19","11304","11317","10.1039/D1RA00175B","","","0.6889","synchrotron","","0.1922","0.1497","","","0.4003","0.4514","","","","","","1.047","","","","has coordinates","263110","2021-03-18","05:32:49",""
"7242423","17.8795","0.0013","23.8479","0.0017","17.995","0.0013","90","","111.905","0.0011","90","","7118.9","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C136 H200 Li8 O34.72 S8 -","- C136 H200 Li8 O34.722 S8 -","- C272 H400 Li16 O69.444 S16 -","2","0.5","","Santoro, Orlando; Elsegood, Mark R. J.; Teat, Simon J.; Yamato, Takehiko; Redshaw, Carl","Lithium calix[4]arenes: structural studies and use in the ring opening polymerization of cyclic esters","RSC Advances","2021","11","19","11304","11317","10.1039/D1RA00175B","","","0.71073","MoKα","","0.1116","0.0973","","","0.2577","0.2797","","","","","","1.07","","","","has coordinates,has disorder","263110","2021-03-18","05:32:49",""
"7242424","13.35","0.008","13.868","0.009","14.564","0.009","114.022","0.007","95.245","0.006","111.486","0.006","2198","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C90.45 H133.36 Li6 O14.77 -","- C80 H110 Li6 O14 -","- C80 H110 Li6 O14 -","1","0.5","","Santoro, Orlando; Elsegood, Mark R. J.; Teat, Simon J.; Yamato, Takehiko; Redshaw, Carl","Lithium calix[4]arenes: structural studies and use in the ring opening polymerization of cyclic esters","RSC Advances","2021","11","19","11304","11317","10.1039/D1RA00175B","","","0.71073","MoKα","","0.0969","0.0712","","","0.1912","0.2154","","","","","","1.049","","","","has coordinates,has disorder","263110","2021-03-18","05:32:49",""
"7242425","25.323","0.013","17.655","0.009","26.894","0.014","90","","105.218","0.005","90","","11602","10","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C116 H160 Li8 O17 S8 -","- C112 H152 Li8 O16 S8 -","- C448 H608 Li32 O64 S32 -","4","0.5","","Santoro, Orlando; Elsegood, Mark R. J.; Teat, Simon J.; Yamato, Takehiko; Redshaw, Carl","Lithium calix[4]arenes: structural studies and use in the ring opening polymerization of cyclic esters","RSC Advances","2021","11","19","11304","11317","10.1039/D1RA00175B","","","0.71073","MoKα","","0.2183","0.0982","","","0.2165","0.2721","","","","","","0.929","","","","has coordinates,has disorder","263110","2021-03-18","05:32:49",""
"7242426","38.167","0.003","20.3517","0.0014","18.4867","0.0013","90","","99.9979","0.0005","90","","14141.7","1.8","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C134 H198 Li5 Na O35.28 S8 -","- C124 H178 Li5 Na O32.78 S8 -","- C496 H712 Li20 Na4 O131.12 S32 -","4","1","","Santoro, Orlando; Elsegood, Mark R. J.; Teat, Simon J.; Yamato, Takehiko; Redshaw, Carl","Lithium calix[4]arenes: structural studies and use in the ring opening polymerization of cyclic esters","RSC Advances","2021","11","19","11304","11317","10.1039/D1RA00175B","","","0.71073","MoKα","","0.0663","0.0632","","","0.1717","0.1762","","","","","","1.054","","","","has coordinates,has disorder","263110","2021-03-18","05:32:49",""
"7242427","10.1136","0.001","9.7173","0.001","24.005","0.003","90","","92.928","0.004","90","","2356.1","0.4","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C54 H32 Cd2 N6 O9 S2 -","- C54 H32 Cd2 N6 O9 S2 -","- C108 H64 Cd4 N12 O18 S4 -","2","0.5","","Liu, Liangjuan; Ran, Yungen; Du, Jianlong; Wang, Zhichao; Liu, Mei; Mu, Yajuan","A luminescent Cd(ii) coordination polymer as a multi-responsive fluorescent sensor for Zn2+, Fe3+ and Cr2O72− in water with fluorescence enhancement or quenching","RSC Advances","2021","11","19","11266","11272","10.1039/D0RA10203B","","","0.71073","MoKα","","0.0732","0.0414","","","0.0786","0.0871","","","","","","1.049","","","","has coordinates","263111","2021-03-18","05:34:15",""
"7242482","14.6401","0.0003","8.4503","0.0002","13.3398","0.0003","90","","112.159","0.003","90","","1528.42","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N5 O3 -","- C17 H15 N5 O3 -","- C68 H60 N20 O12 -","4","1","","Liao, Lieqiang; Jia, Xinjian; Lou, Haoxiang; Zhong, Jinlian; Liu, Huijin; Ding, Shunming; Chen, Chao; Hong, Sanguo; Luo, Xuzhong","Supramolecular gel formation regulated by water content in organic solvents: self-assembly mechanism and biomedical applications","RSC Advances","2021","11","19","11519","11528","10.1039/D1RA00647A","","","1.54178","CuKα","","0.1897","0.1837","","","0.4051","0.4077","","","","","","1.207","","","","has coordinates","263201","2021-03-20","05:29:05",""
"7242483","16.0449","0.0001","17.5436","0.0001","20.4435","0.0001","90","","90","","90","","5754.54","0.06","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H42 Br2 Zr -","- C32 H42 Br2 Zr -","- C256 H336 Br16 Zr8 -","8","1","","Angpanitcharoen, Phakpoom; Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Synthesis of zirconocene complexes and their use in slurry-phase polymerisation of ethylene","RSC Advances","2021","11","19","11529","11535","10.1039/D1RA01912K","","","1.54184","CuKα","","0.0314","0.0293","","","0.0774","0.0794","","","","","","1.041","","","","has coordinates","263202","2021-03-20","05:31:05",""
"7242484","40.4192","0.0006","11.2901","0.0001","17.8001","0.0003","90","","102.217","0.002","90","","7938.9","0.2","150","2","150.01","0.1","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C46 H56 Zr -","- C46 H56 Zr -","- C368 H448 Zr8 -","8","2","","Angpanitcharoen, Phakpoom; Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Synthesis of zirconocene complexes and their use in slurry-phase polymerisation of ethylene","RSC Advances","2021","11","19","11529","11535","10.1039/D1RA01912K","","x-ray","1.54184","CuKα","","0.106","0.105","","","0.2535","0.254","","","","","","1.206","","","","has coordinates","263202","2021-03-20","05:31:12",""
"7242485","23.524","0.0007","12.9247","0.0003","25.9982","0.0008","90","","112.71","0.004","90","","7291.7","0.4","150","2","150.01","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C47.5 H56 Zr -","- C47.5 H56 Zr -","- C380 H448 Zr8 -","8","1","","Angpanitcharoen, Phakpoom; Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Synthesis of zirconocene complexes and their use in slurry-phase polymerisation of ethylene","RSC Advances","2021","11","19","11529","11535","10.1039/D1RA01912K","","x-ray","1.54184","CuKα","","0.032","0.0252","","","0.0606","0.0634","","","","","","1.034","","","","has coordinates","263202","2021-03-20","05:31:12",""
"7242486","14.3118","0.0002","13.6443","0.0002","20.5174","0.0004","90","","109.185","0.002","90","","3784.01","0.12","150","2","150.01","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H56 Zr -","- C46 H56 Zr -","- C184 H224 Zr4 -","4","1","","Angpanitcharoen, Phakpoom; Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Synthesis of zirconocene complexes and their use in slurry-phase polymerisation of ethylene","RSC Advances","2021","11","19","11529","11535","10.1039/D1RA01912K","","x-ray","1.54184","CuKα","","0.032","0.0277","","","0.0708","0.0754","","","","","","1.049","","","","has coordinates","263202","2021-03-20","05:31:12",""
"7242487","12.4928","0.0001","14.8315","0.0001","14.5898","0.0001","90","","98.31","","90","","2674.92","0.03","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 Br2 Zr -","- C30 H38 Br2 Zr -","- C120 H152 Br8 Zr4 -","4","1","","Angpanitcharoen, Phakpoom; Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Synthesis of zirconocene complexes and their use in slurry-phase polymerisation of ethylene","RSC Advances","2021","11","19","11529","11535","10.1039/D1RA01912K","","","0.71073","MoKα","","0.0346","0.0288","","","0.0702","0.0723","","","","","","1.054","","","","has coordinates","263202","2021-03-20","05:31:13",""
"7242488","11.2859","0.0001","15.3811","0.0002","16.5363","0.0002","90","","94.569","0.001","90","","2861.41","0.06","150","2","149.9","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H42 Cl2 Zr -","- C32 H42 Cl2 Zr -","- C128 H168 Cl8 Zr4 -","4","1","","Angpanitcharoen, Phakpoom; Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Synthesis of zirconocene complexes and their use in slurry-phase polymerisation of ethylene","RSC Advances","2021","11","19","11529","11535","10.1039/D1RA01912K","","x-ray","1.54184","CuKα","","0.0341","0.0245","","","0.0561","0.0602","","","","","","1.012","","","","has coordinates","263202","2021-03-20","05:31:13",""
"7242489","10.6474","0.0013","5.8091","0.0007","24.587","0.002","90","","90","","90","","1520.8","0.3","150","2","150.01","0.1","","","","","","","","3","P n 21 a","P -2ac -2n","33","","","","- C20 H22 O -","- C20 H22 O -","- C80 H88 O4 -","4","1","","Angpanitcharoen, Phakpoom; Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Synthesis of zirconocene complexes and their use in slurry-phase polymerisation of ethylene","RSC Advances","2021","11","19","11529","11535","10.1039/D1RA01912K","","x-ray","1.54184","CuKα","","0.0767","0.056","","","0.1466","0.1661","","","","","","0.979","","","","has coordinates","263202","2021-03-20","05:31:13",""
"7242490","5.8532","0.0001","24.6468","0.0005","10.7323","0.0002","90","","99.656","0.002","90","","1526.34","0.05","150","2","150","0.2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 -","- C20 H22 -","- C80 H88 -","4","1","","Angpanitcharoen, Phakpoom; Lamb, Jessica V.; Buffet, Jean-Charles; Turner, Zoë R.; O'Hare, Dermot","Synthesis of zirconocene complexes and their use in slurry-phase polymerisation of ethylene","RSC Advances","2021","11","19","11529","11535","10.1039/D1RA01912K","","x-ray","1.54184","CuKα","","0.0564","0.0494","","","0.1467","0.153","","","","","","1.069","","","","has coordinates","263202","2021-03-20","05:31:13",""
"7242499","34.9669","0.0003","14.8136","0.0001","30.7587","0.0002","90","","101.597","0.001","90","","15607.3","0.2","100.15","","100","","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C112.5 H93 Cl5 I12 N24 O8 Zn6 -","- C112.5 H93 Cl5 I12 N24 O8 Zn6 -","- C450 H372 Cl20 I48 N96 O32 Zn24 -","4","1","","Ismiyarto,; Kishi, Nobuki; Adachi, Yuki; Jiang, Rui; Doi, Takahiro; Zhou, Da-Yang; Asano, Kaori; Obora, Yasushi; Suzuki, Takayoshi; Sasai, Hiroaki; Suzuki, Takeyuki","Catalytic enantioselective intramolecular Tishchenko reaction of meso-dialdehyde: synthesis of (S)-cedarmycins","RSC Advances","2021","11","19","11606","11609","10.1039/D1RA00915J","","x-ray","1.54184","CuKα","","0.0976","0.0884","","","0.2857","0.3029","","","","","","1.225","","","","has coordinates,has disorder","263233","2021-03-23","05:38:11",""
"7242500","8.91118","0.00016","11.0174","0.0002","15.8907","0.0011","90","","90","","90","","1560.12","0.12","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Ismiyarto,; Kishi, Nobuki; Adachi, Yuki; Jiang, Rui; Doi, Takahiro; Zhou, Da-Yang; Asano, Kaori; Obora, Yasushi; Suzuki, Takayoshi; Sasai, Hiroaki; Suzuki, Takeyuki","Catalytic enantioselective intramolecular Tishchenko reaction of meso-dialdehyde: synthesis of (S)-cedarmycins","RSC Advances","2021","11","19","11606","11609","10.1039/D1RA00915J","","","1.54187","CuKα","","0.0342","0.0319","","","0.0698","0.0707","","","","","","1.09","","","","has coordinates","263233","2021-03-23","05:38:14",""
"7242501","19.149","0.004","10.772","0.002","23.154","0.005","90","","90","","90","","4776","1.7","113.15","","113.15","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C10.25 H13 Cu0.5 O5.25 -","- C10.25 H13 Cu0.5 O5.25 -","- C164 H208 Cu8 O84 -","16","1","","Liu, Chengxin; Cui, Jin; Wang, Yufang; Zhang, Mingjie","A novel two-dimensional metal‒organic framework as a recyclable heterogeneous catalyst for the dehydrogenative oxidation of alcohol and the N-arylation of azole compounds","RSC Advances","2021","11","19","11739","11744","10.1039/D1RA00248A","","","0.71073","MoKα","","0.0957","0.0903","","","0.2145","0.2176","","","","","","1.151","","","","has coordinates,has disorder","263234","2021-03-23","05:38:50",""
"7242502","12.713","0.0011","16.7745","0.0015","14.7977","0.0013","90","","91.265","0.004","90","","3154.9","0.5","173","2","173","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H38 Eu2 N6 O25 -","- C15 H38 Eu2 N6 O25 -","- C60 H152 Eu8 N24 O100 -","4","0.5","","Feng, Lu; Zeng, Tian-Yu; Hou, Hao-Bo; Zhou, Hong; Tian, Jian","Theoretical hydrogen bonding calculations and proton conduction for Eu(iii)-based metal‒organic framework","RSC Advances","2021","11","19","11495","11499","10.1039/D1RA01528A","","","0.71073","MoKα","","0.081","0.0392","","","0.0598","0.07","","","","","","0.998","","","","has coordinates,has disorder","263235","2021-03-23","05:39:15",""
"7242503","4.0051","0.0003","10.1298","0.0008","16.3327","0.0012","90","","92.222","0.003","90","","662.13","0.09","100","2","100","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C17 H13 F O4 -","- C17 H13 F O4 -","- C34 H26 F2 O8 -","2","1","","Chang, Meng-Yang; Tsai, Min-Chen; Lin, Chun-Yi","A novel one-pot synthesis of flavones","RSC Advances","2021","11","19","11655","11662","10.1039/D1RA00534K","","","0.71073","MoKα","","0.0307","0.0288","","","0.0799","0.0827","","","","","","1.118","","","","has coordinates","263236","2021-03-23","05:39:37",""
"7242504","13.8913","0.0019","29.698","0.004","17.353","0.002","90","","104.522","0.002","90","","6930.2","1.6","90","","90","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C88 H88 O12 -","- C88 H88 O12 -","- C352 H352 O48 -","4","1","","Takahashi, Masaki; Tsuji, Naoya; Yazaki, Kohei; Sei, Yoshihisa; Obata, Makoto","A fluorescent calix[4]arene with naphthalene units at the upper rim exhibits long fluorescence emission lifetime without fluorescence quenching","RSC Advances","2021","11","19","11651","11654","10.1039/D1RA01743H","","","0.71073","MoKα","","0.1188","0.0731","","","0.197","0.2251","","","","","","1.045","","","","has coordinates","263237","2021-03-23","05:40:01",""
"7242536","13.483","0.003","14.312","0.003","20.482","0.004","90","0.03","101.02","0.03","90","0.03","3879.5","1.5","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H68 Cl4 Co2 N24 O26 -","- C66 H68 Cl4 Co2 N24 O26 -","- C132 H136 Cl8 Co4 N48 O52 -","2","0.5","","Gao, Hang; Liu, Ka; Chang, Jin; Zhang, Juan","A cobalt complex with 2,4,6-tris(di-2-pyridylamine)-1,3,5-triazine: antiferromagnetic couple governed single-molecule-magnet behaviour","RSC Advances","2021","11","20","12183","12187","10.1039/D0RA10828F","","","1.34139","GaKα","","0.0654","0.0467","","","0.1106","0.1249","","","","","","1.049","","","","has coordinates","263350","2021-03-26","05:41:37",""
"7242550","12.06169","0.00012","15.09891","0.00015","21.2481","0.0002","90","","99.4856","0.001","90","","3816.76","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H57 Cl3 N4 S2 -","- C36 H57 Cl3 N4 S2 -","- C144 H228 Cl12 N16 S8 -","4","1","","Pomorski, Robert; García-Valverde, María; Quesada, Roberto; Chmielewski, Michał J.","Transmembrane anion transport promoted by thioamides","RSC Advances","2021","11","20","12249","12253","10.1039/D1RA01646F","","x-ray","1.54184","CuKα","","0.0457","0.0419","","","0.1179","0.1228","","","","","","1.063","","","","has coordinates","263387","2021-03-27","05:24:37",""
"7242551","7.5789","0.0018","9.937","0.002","11.529","0.003","106.045","0.006","104.318","0.007","99.588","0.006","782.4","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","{tetraaqua-bis(2,2'-dipyridylamine)-bis(mu-pyrazole-3,5-dicarbarboxylato)tricopper(II)}","","","- C30 H28 Cu3 N10 O12 -","- C30 H28 Cu3 N10 O12 -","- C30 H28 Cu3 N10 O12 -","1","0.5","","Klongdee, Fatima; Leelasubcharoen, Somying; Youngme, Sujittra; Boonmak, Jaursup","Sonochemical synthesis of a trinuclear Cu(ii) complex with open coordination sites for the differentiable optical detection of volatile amines","RSC Advances","2021","11","20","12218","12226","10.1039/D1RA01151K","","","0.71073","MoKα","","0.1535","0.0894","","","0.2246","0.2598","","","","","","1.071","","","","has coordinates","263388","2021-03-27","05:24:53",""
"7242573","9.2148","0.0014","28.241","0.005","10.6998","0.0014","90","","109.745","0.004","90","","2620.8","0.7","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 Cl Ir N4 O -","- C32 H22 Cl Ir N4 O -","- C128 H88 Cl4 Ir4 N16 O4 -","4","1","","Pradhan, Kahnu Charan; Kisan, Hemanta K.; Pal, Satyanarayan","Unexpected ortho C‒H bond activation in coordinated 7,8-benzoquinoline: synthesis and characterisation of heteroleptic Ir(iii)-7,8-benzoquinoline complexes","RSC Advances","2021","11","21","12578","12582","10.1039/D1RA00860A","","","0.71073","MoKα","","0.0636","0.0336","","","0.0551","0.0609","","","","","","1.026","","","","has coordinates","263481","2021-03-31","04:42:30",""
"7242586","5.8505","0.0012","11.594","0.002","16.205","0.003","90","","90","","90","","1099.2","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O3 -","- C12 H13 N O3 -","- C48 H52 N4 O12 -","4","1","","Patel, Parth; Tak, Raj Kumar; Parmar, Bhavesh; Dabas, Shilpa; Patel, Brijesh; Suresh, Eringathodi; Khan, Noor-ul H.; Subramanian, Saravanan","Ring-opening hydrolysis of spiro-epoxyoxindoles using a reusable sulfonic acid functionalized nitrogen rich carbon catalyst","RSC Advances","2021","11","21","12808","12814","10.1039/D1RA01161H","","","0.71073","MoKα","","0.0888","0.0767","","","0.1348","0.1387","","","","","","1.23","","","","has coordinates","263545","2021-04-02","04:26:37",""
"7242587","62.21","0.008","17.713","0.002","5.2259","0.0007","90","","90","","90","","5758.6","1.3","301","2","301","2","","","","","","","","5","F d d 2","F 2 -2d","43","ORGANIC","","","- C16 H14 Cl N O3 -","- C16 H14 Cl N O3 -","- C256 H224 Cl16 N16 O48 -","16","1","","Patel, Parth; Tak, Raj Kumar; Parmar, Bhavesh; Dabas, Shilpa; Patel, Brijesh; Suresh, Eringathodi; Khan, Noor-ul H.; Subramanian, Saravanan","Ring-opening hydrolysis of spiro-epoxyoxindoles using a reusable sulfonic acid functionalized nitrogen rich carbon catalyst","RSC Advances","2021","11","21","12808","12814","10.1039/D1RA01161H","","","0.71073","MoKα","","0.1448","0.0635","","","0.1328","0.173","","","","","","1.009","","","","has coordinates","263545","2021-04-02","04:26:37",""
"7242588","8.3175","0.0011","10.2481","0.0016","10.9658","0.0017","90","","98.059","0.005","90","","925.5","0.2","122","2","122","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ORGANIC","","","- C10 H11 N O3 -","- C10 H11 N O3 -","- C40 H44 N4 O12 -","4","1","","Patel, Parth; Tak, Raj Kumar; Parmar, Bhavesh; Dabas, Shilpa; Patel, Brijesh; Suresh, Eringathodi; Khan, Noor-ul H.; Subramanian, Saravanan","Ring-opening hydrolysis of spiro-epoxyoxindoles using a reusable sulfonic acid functionalized nitrogen rich carbon catalyst","RSC Advances","2021","11","21","12808","12814","10.1039/D1RA01161H","","","0.71073","MoKα","","0.0725","0.0604","","","0.1858","0.1953","","","","","","1.135","","","","has coordinates","263545","2021-04-02","04:26:37",""
"7242589","8.4593","0.0005","5.8691","0.0004","30.718","0.002","90","","97.42","0.002","90","","1512.33","0.17","305","2","305","2","","","","","","","","4","P 1 c 1","P -2yc","7","ORGANIC","","","- C17 H17 N O4 -","- C17 H17 N O4 -","- C68 H68 N4 O16 -","4","2","","Patel, Parth; Tak, Raj Kumar; Parmar, Bhavesh; Dabas, Shilpa; Patel, Brijesh; Suresh, Eringathodi; Khan, Noor-ul H.; Subramanian, Saravanan","Ring-opening hydrolysis of spiro-epoxyoxindoles using a reusable sulfonic acid functionalized nitrogen rich carbon catalyst","RSC Advances","2021","11","21","12808","12814","10.1039/D1RA01161H","","","0.71073","MoKα","","0.0661","0.0511","","","0.1309","0.143","","","","","","1.043","","","","has coordinates","263545","2021-04-02","04:26:38",""
"7242590","5.1638","0.0003","19.306","0.0012","27.209","0.002","90","","90","","90","","2712.5","0.3","301","2","301","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","ORGANIC","","","- C128 H120 N8 O24 -","- C128 H120 N8 O24 -","- C128 H120 N8 O24 -","1","0.25","","Patel, Parth; Tak, Raj Kumar; Parmar, Bhavesh; Dabas, Shilpa; Patel, Brijesh; Suresh, Eringathodi; Khan, Noor-ul H.; Subramanian, Saravanan","Ring-opening hydrolysis of spiro-epoxyoxindoles using a reusable sulfonic acid functionalized nitrogen rich carbon catalyst","RSC Advances","2021","11","21","12808","12814","10.1039/D1RA01161H","","","0.71073","MoKα","","0.2041","0.0621","","","0.1019","0.1476","","","","","","0.994","","","","has coordinates","263545","2021-04-02","04:26:38",""
"7242613","18.1423","0.0006","17.5195","0.0005","23.9371","0.0009","90","","106.001","0.003","90","","7313.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C70 H88 N4 Ni O4 -","- C70 H88 N4 Ni O4 -","- C280 H352 N16 Ni4 O16 -","4","1","","Nasibipour, Mina; Safaei, Elham; Moaddeli, Ali; Masoumpour, Marziyeh Sadat; Wojtczak, Andrzej","Biradical o-iminobenzosemiquinonato(1−) complexes of nickel(ii): catalytic activity in three-component coupling of aldehydes, amines and alkynes","RSC Advances","2021","11","21","12845","12859","10.1039/D0RA10248B","","","0.71073","MoKα","","0.1017","0.0614","","","0.1418","0.1716","","","","","","1.041","","","","has coordinates","263936","2021-04-07","04:38:15",""
"7242615","5.9149","0.0002","8.0004","0.0002","11.2008","0.0003","90","","101.679","0.003","90","","519.07","0.03","179.99","0.1","179.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H10 Br2 O2 -","- C9 H10 Br2 O2 -","- C18 H20 Br4 O4 -","2","1","","Li, Jing; Shi, Yian","Catalytic enantioselective bromohydroxylation of cinnamyl alcohols","RSC Advances","2021","11","22","13040","13046","10.1039/D1RA02297K","","x-ray","0.71073","MoKα","","0.0329","0.03","","","0.0693","0.0706","","","","","","1.058","","","","has coordinates","263964","2021-04-08","04:24:31",""
"7242616","8.3048","0.0001","9.2603","0.0002","27.0823","0.0007","90","","90","","90","","2082.76","0.07","180","0.1","180","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H13 Br O2 -","- C10 H13 Br O2 -","- C80 H104 Br8 O16 -","8","2","","Li, Jing; Shi, Yian","Catalytic enantioselective bromohydroxylation of cinnamyl alcohols","RSC Advances","2021","11","22","13040","13046","10.1039/D1RA02297K","","x-ray","0.71073","MoKα","","0.0257","0.0229","","","0.0499","0.0507","","","","","","1.013","","","","has coordinates","263964","2021-04-08","04:24:32",""
"7242617","10.45924","0.00004","10.51707","0.00004","22.10012","0.00008","90","","90","","90","","2431.03","0.016","99.99","0.1","99.99","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 Br Cl O2 -","- C11 H14 Br Cl O2 -","- C88 H112 Br8 Cl8 O16 -","8","2","","Li, Jing; Shi, Yian","Catalytic enantioselective bromohydroxylation of cinnamyl alcohols","RSC Advances","2021","11","22","13040","13046","10.1039/D1RA02297K","","x-ray","1.54184","CuKα","","0.0174","0.0174","","","0.0432","0.0432","","","","","","1.08","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7242620","12.267","0.003","20.24","0.004","9.2785","0.0019","90","","109.14","0.03","90","","2176.4","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N O -","- C28 H31 N O -","- C112 H124 N4 O4 -","4","1","","Yue, Erlin; Cao, Furong; Zhang, Jun; Zhang, Wenjuan; Jiang, Youshu; Liang, Tongling; Sun, Wen-Hua","Bimetallic aluminum complexes bearing novel spiro-phenanthrene-monoketone/OH derivatives: synthesis, characterization and the ring-opening polymerization of ε-caprolactone","RSC Advances","2021","11","22","13274","13281","10.1039/D1RA01288F","","","0.71073","MoKα","","0.1278","0.105","","","0.1718","0.1835","","","","","","1.058","","","","has coordinates","263998","2021-04-09","04:18:27",""
"7242621","9.4813","0.0019","10.352","0.002","12.04","0.002","89.89","0.03","85.67","0.03","82.32","0.03","1167.7","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H33 N O -","- C29 H33 N O -","- C58 H66 N2 O2 -","2","1","","Yue, Erlin; Cao, Furong; Zhang, Jun; Zhang, Wenjuan; Jiang, Youshu; Liang, Tongling; Sun, Wen-Hua","Bimetallic aluminum complexes bearing novel spiro-phenanthrene-monoketone/OH derivatives: synthesis, characterization and the ring-opening polymerization of ε-caprolactone","RSC Advances","2021","11","22","13274","13281","10.1039/D1RA01288F","","","0.71073","MoKα","","0.06","0.0568","","","0.1323","0.1345","","","","","","1.041","","","","has coordinates","263998","2021-04-09","04:18:28",""
"7242622","9.2698","0.0019","18.914","0.004","21.689","0.004","90","","93.87","0.03","90","","3794","1.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N O -","- C25 H23 N O -","- C200 H184 N8 O8 -","8","2","","Yue, Erlin; Cao, Furong; Zhang, Jun; Zhang, Wenjuan; Jiang, Youshu; Liang, Tongling; Sun, Wen-Hua","Bimetallic aluminum complexes bearing novel spiro-phenanthrene-monoketone/OH derivatives: synthesis, characterization and the ring-opening polymerization of ε-caprolactone","RSC Advances","2021","11","22","13274","13281","10.1039/D1RA01288F","","","0.71073","MoKα","","0.1291","0.1071","","","0.2185","0.2384","","","","","","1.005","","","","has coordinates","263998","2021-04-09","04:18:28",""
"7242623","8.9047","0.0018","11.867","0.002","13.494","0.003","94.56","0.03","104.52","0.03","107.73","0.03","1295.9","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H60 Al2 N2 O2 -","- C54 H60 Al2 N2 O2 -","- C54 H60 Al2 N2 O2 -","1","0.5","","Yue, Erlin; Cao, Furong; Zhang, Jun; Zhang, Wenjuan; Jiang, Youshu; Liang, Tongling; Sun, Wen-Hua","Bimetallic aluminum complexes bearing novel spiro-phenanthrene-monoketone/OH derivatives: synthesis, characterization and the ring-opening polymerization of ε-caprolactone","RSC Advances","2021","11","22","13274","13281","10.1039/D1RA01288F","","","0.71073","MoKα","","0.0584","0.0504","","","0.1216","0.1261","","","","","","1.029","","","","has coordinates","263998","2021-04-09","04:18:28",""
"7242624","6.6947","0.0003","13.0994","0.0005","13.5996","0.0005","94.514","0.001","92.68","0.001","103.521","0.001","1153.37","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H26 N4 O9 Ru S3 -","- C14 H26 N4 O9 Ru S3 -","- C28 H52 N8 O18 Ru2 S6 -","2","1","","Cole, Jacqueline M.; Gosztola, David J.; Sylvester, Sven O.","Low-energy optical switching of SO2 linkage isomerisation in single crystals of a ruthenium-based coordination complex","RSC Advances","2021","11","22","13183","13192","10.1039/D1RA01696B","","","0.71073","MoKα","","0.0332","0.0325","","","0.0846","0.0851","","","","","","1.062","","","","has coordinates","263999","2021-04-09","04:19:11",""
"7242625","6.6653","0.0003","13.1237","0.0006","13.6781","0.0006","94.45","0.001","92.62","0.001","103.417","0.001","1157.8","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H26 N4 O9 Ru S3 -","- C14 H26 N4 O9 Ru S3.001 -","- C28 H52 N8 O18 Ru2 S6.002 -","2","1","","Cole, Jacqueline M.; Gosztola, David J.; Sylvester, Sven O.","Low-energy optical switching of SO2 linkage isomerisation in single crystals of a ruthenium-based coordination complex","RSC Advances","2021","11","22","13183","13192","10.1039/D1RA01696B","","","0.71073","MoKα","","0.0372","0.0361","","","0.0925","0.0937","","","","","","1.068","","","","has coordinates,has disorder","263999","2021-04-09","04:19:12",""
"7242645","9.7157","0.0003","21.115","0.0006","17.2695","0.0005","90","","101.485","0.002","90","","3471.85","0.18","100","1","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H78.15 Cu2 N8 O19.07 -","- C64 H78.148 Cu2 N8 O19.074 -","- C128 H156.296 Cu4 N16 O38.148 -","2","0.5","","Appavoo, Divambal; Spencer, Lara C.; Guzei, Ilia A.; Gómez-García, Carlos J.; van Wyk, Juanita L.; Darkwa, James","Ring opening polymerization of d,l-lactide and ε-caprolactone catalysed by (pyrazol-1-yl)copper(ii) carboxylate complexes","RSC Advances","2021","11","22","13475","13485","10.1039/D1RA00339A","","","0.71073","MoKα","","0.0657","0.0457","","","0.1201","0.1302","","","","","","1.059","","","","has coordinates","264071","2021-04-13","04:12:15",""
"7242646","14.1819","0.0005","19.8388","0.0007","11.961","0.0005","90","","96.814","0.002","90","","3341.5","0.2","100","1","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H28 Cu N8 O12 -","- C32 H28 Cu N8 O12 -","- C128 H112 Cu4 N32 O48 -","4","1","","Appavoo, Divambal; Spencer, Lara C.; Guzei, Ilia A.; Gómez-García, Carlos J.; van Wyk, Juanita L.; Darkwa, James","Ring opening polymerization of d,l-lactide and ε-caprolactone catalysed by (pyrazol-1-yl)copper(ii) carboxylate complexes","RSC Advances","2021","11","22","13475","13485","10.1039/D1RA00339A","","","0.71073","MoKα","","0.0381","0.0297","","","0.0841","0.0881","","","","","","1.038","","","","has coordinates","264071","2021-04-13","04:12:22",""
"7242647","10.468","0.005","10.853","0.006","13.43","0.004","79.52","0.05","73.95","0.04","88.13","0.04","1441.6","1.2","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C64 H64 Cu2 N8 O8 -","- C64 H64 Cu2 N8 O8 -","- C64 H64 Cu2 N8 O8 -","1","0.5","","Appavoo, Divambal; Spencer, Lara C.; Guzei, Ilia A.; Gómez-García, Carlos J.; van Wyk, Juanita L.; Darkwa, James","Ring opening polymerization of d,l-lactide and ε-caprolactone catalysed by (pyrazol-1-yl)copper(ii) carboxylate complexes","RSC Advances","2021","11","22","13475","13485","10.1039/D1RA00339A","","","0.71073","MoKα","","0.0369","0.0311","","","0.0807","0.0838","","","","","","1.054","","","","has coordinates","264071","2021-04-13","04:12:25",""
"7242648","16.2772","0.0002","16.2772","0.0002","17.3126","0.0002","90","","90","","90","","4586.93","0.1","100","1","100","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C46 H38 Cl4 Cu2 N4 O8 -","- C46 H38 Cl4 Cu2 N4 O8 -","- C184 H152 Cl16 Cu8 N16 O32 -","4","0.5","","Appavoo, Divambal; Spencer, Lara C.; Guzei, Ilia A.; Gómez-García, Carlos J.; van Wyk, Juanita L.; Darkwa, James","Ring opening polymerization of d,l-lactide and ε-caprolactone catalysed by (pyrazol-1-yl)copper(ii) carboxylate complexes","RSC Advances","2021","11","22","13475","13485","10.1039/D1RA00339A","","x-ray","1.54178","CuKα","K-L~3~","0.0659","0.0648","","","0.1729","0.1745","","","","","","1.094","","","","has coordinates,has disorder","264071","2021-04-13","04:12:27",""
"7242650","7.1866","0.0002","12.4312","0.0003","13.8896","0.0005","93.039","0.002","96.532","0.003","93.712","0.002","1227.94","0.06","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H51 N13 O13 S4 -","- C41 H51 N13 O13 S4 -","- C41 H51 N13 O13 S4 -","1","0.5","","Nakayama, Kentaro; Manako, Taisuke; Koibuchi, Ryo; Yoshikawa, Isao; Houjou, Hirohiko","Ratchet-like mechanism in a long-life photoproduct of salicylideneaniline enclathrated in a pillared-layer guanidinium disulfonate structure","RSC Advances","2021","11","23","13739","13742","10.1039/D1RA01823J","","","0.71073","MoKα","","0.0822","0.0655","","","0.1751","0.1864","","","","","","1.07","","","","has coordinates,has disorder","264114","2021-04-14","04:09:06",""
"7242651","7.1218","0.0001","12.5455","0.0003","13.6688","0.0003","113.601","0.002","99.3307","0.0015","91.6841","0.0016","1098.28","0.04","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H47 N13 O13 S4 -","- C37 H47 N13 O13 S4 -","- C37 H47 N13 O13 S4 -","1","0.5","","Nakayama, Kentaro; Manako, Taisuke; Koibuchi, Ryo; Yoshikawa, Isao; Houjou, Hirohiko","Ratchet-like mechanism in a long-life photoproduct of salicylideneaniline enclathrated in a pillared-layer guanidinium disulfonate structure","RSC Advances","2021","11","23","13739","13742","10.1039/D1RA01823J","","","0.71073","MoKα","","0.0522","0.0482","","","0.1482","0.1517","","","","","","1.116","","","","has coordinates,has disorder","264114","2021-04-14","04:09:06",""
"7242652","16.61883","0.00003","16.61883","0.00003","16.61883","0.00003","90","","90","","90","","4589.88","0.014","1073","","1073","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Mo4 O23 Sr11 -","- Mo3.99984 O22.992 Sr11.0002 -","- Mo31.9987 O183.936 Sr88.0013 -","8","0.0416667","","Miranda, Carlos Darío; Villarroel-Rocha, Dimar; Sapag, Karim; López, Carlos Alberto; Pedregosa, José Carmelo; Alonso, José Antonio","Synthesis conditions impact on Sr11Mo4O23 electroceramic: crystal structure, stability and transport properties","RSC Advances","2021","11","23","13814","13820","10.1039/D0RA10620H","powder diffraction","x-rays","0.3252","","","","","","","","","","","","","","","","","","has coordinates","264115","2021-04-14","04:10:35",""
"7242653","16.5443","0.0004","16.5736","0.0003","16.553","0.0004","90.0771","0.0017","90.3235","0.0008","89.9506","0.002","4538.73","0.18","873","","873","","","","","","","","","3","P -1","-P 1","2","","","","- Mo4 O23 Sr11 -","- Mo4 O23.9988 Sr11 -","- Mo32 O191.99 Sr88 -","8","4","","Miranda, Carlos Darío; Villarroel-Rocha, Dimar; Sapag, Karim; López, Carlos Alberto; Pedregosa, José Carmelo; Alonso, José Antonio","Synthesis conditions impact on Sr11Mo4O23 electroceramic: crystal structure, stability and transport properties","RSC Advances","2021","11","23","13814","13820","10.1039/D0RA10620H","powder diffraction","x-rays","0.3252","","","","","","","","","","","","","","","","","","has coordinates","264115","2021-04-14","04:10:36",""
"7242654","16.4007","0.0008","16.4236","0.0005","16.409","0.0008","90.084","0.003","90.4494","0.0013","89.964","0.004","4419.8","0.3","298","","298","","","","","","","","","3","P -1","-P 1","2","","","","- Mo4 O23 Sr11 -","- Mo4 O23.9988 Sr11 -","- Mo32 O191.99 Sr88 -","8","4","","Miranda, Carlos Darío; Villarroel-Rocha, Dimar; Sapag, Karim; López, Carlos Alberto; Pedregosa, José Carmelo; Alonso, José Antonio","Synthesis conditions impact on Sr11Mo4O23 electroceramic: crystal structure, stability and transport properties","RSC Advances","2021","11","23","13814","13820","10.1039/D0RA10620H","powder diffraction","x-rays","0.3252","","","","","","","","","","","","","","","","","","has coordinates","264115","2021-04-14","04:10:36",""
"7242655","16.4952","0.0005","16.5214","0.0004","16.504","0.0005","90.064","0.002","90.3338","0.001","89.974","0.003","4497.7","0.2","673","","673","","","","","","","","","3","P -1","-P 1","2","","","","- Mo4 O23 Sr11 -","- Mo4 O23.9988 Sr11 -","- Mo32 O191.99 Sr88 -","8","4","","Miranda, Carlos Darío; Villarroel-Rocha, Dimar; Sapag, Karim; López, Carlos Alberto; Pedregosa, José Carmelo; Alonso, José Antonio","Synthesis conditions impact on Sr11Mo4O23 electroceramic: crystal structure, stability and transport properties","RSC Advances","2021","11","23","13814","13820","10.1039/D0RA10620H","powder diffraction","x-rays","0.3252","","","","","","","","","","","","","","","","","","has coordinates","264115","2021-04-14","04:10:36",""
"7242656","16.4413","0.0006","16.4661","0.0004","16.4515","0.0006","90.08","0.002","90.4085","0.0011","89.969","0.003","4453.7","0.3","473","","473","","","","","","","","","3","P -1","-P 1","2","","","","- M O27 Sr11 -","- Mo4 O23.9988 Sr11 -","- Mo32 O191.99 Sr88 -","8","4","","Miranda, Carlos Darío; Villarroel-Rocha, Dimar; Sapag, Karim; López, Carlos Alberto; Pedregosa, José Carmelo; Alonso, José Antonio","Synthesis conditions impact on Sr11Mo4O23 electroceramic: crystal structure, stability and transport properties","RSC Advances","2021","11","23","13814","13820","10.1039/D0RA10620H","powder diffraction","x-rays","0.3252","","","","","","","","","","","","","","","","","","has coordinates","264115","2021-04-14","04:10:36",""
"7242657","8.8632","0.0005","9.5113","0.0006","13.014","0.0008","102.966","0.0006","90.5478","0.0007","109.479","0.0006","1003.66","0.11","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","2-Chloro-1-iodo-4-nitronaphthalene","","- C10 H5 Cl I N O2 -","- C10 H5 Cl I N O2 -","- C40 H20 Cl4 I4 N4 O8 -","4","2","","Kim, Juhwan; Umerani, Mehran J.; Kurakake, Reina; Qin, Huiting; Ziller, Joseph W.; Gorodetsky, Alon A.; Park, Young S.","An aza-Diels‒Alder approach to chlorinated quinolines, benzoquinolines, and polybenzoquinolines","RSC Advances","2021","11","23","13722","13730","10.1039/D0RA06744J","","","0.71073","MoKα","","0.0264","0.0235","","","0.0597","0.0614","","","","","","1.076","","","","has coordinates","264183","2021-04-15","04:08:31",""
"7242666","11.1425","0.001","12.3552","0.0011","15.2616","0.0014","91.131","0.003","104.168","0.003","112.006","0.003","1874.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H35 Cu N5 O10 -","- C43 H35 Cu N5 O10 -","- C86 H70 Cu2 N10 O20 -","2","1","","Ali, Arif; Banerjee, Somesh; Kamaal, Saima; Usman, Mohammad; Das, Neeladrisingha; Afzal, Mohd; Alarifi, Abdullah; Sepay, Nayim; Roy, Partha; Ahmad, Musheer","Ligand substituent effect on the cytotoxicity activity of two new copper(ii) complexes bearing 8-hydroxyquinoline derivatives: validated by MTT assay and apoptosis in MCF-7 cancer cell line (human breast cancer)","RSC Advances","2021","11","24","14362","14373","10.1039/D1RA00172H","","","0.71073","MoKα","","0.1006","0.0601","","","0.1562","0.1936","","","","","","1.1383","","","","has coordinates","264273","2021-04-17","04:18:19",""
"7242667","11.6573","0.0007","12.7849","0.0008","15.4024","0.0009","66.799","0.002","71.044","0.002","65.341","0.002","1881.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H36 Cu N4 O12 -","- C43 H36 Cu N4 O12 -","- C86 H72 Cu2 N8 O24 -","2","1","","Ali, Arif; Banerjee, Somesh; Kamaal, Saima; Usman, Mohammad; Das, Neeladrisingha; Afzal, Mohd; Alarifi, Abdullah; Sepay, Nayim; Roy, Partha; Ahmad, Musheer","Ligand substituent effect on the cytotoxicity activity of two new copper(ii) complexes bearing 8-hydroxyquinoline derivatives: validated by MTT assay and apoptosis in MCF-7 cancer cell line (human breast cancer)","RSC Advances","2021","11","24","14362","14373","10.1039/D1RA00172H","","","0.71073","MoKα","","0.0406","0.0368","","","0.0985","0.1024","","","","","","1.0623","","","","has coordinates","264273","2021-04-17","04:18:20",""
"7242688","10.825","0.004","11.925","0.004","12.194","0.004","71.857","0.01","77.095","0.01","72.995","0.01","1415.2","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C3.26 H3.37 F0.63 O0.11 P0.11 S0.32 -","- C3.26316 H3.36842 F0.631579 O0.105263 P0.105263 S0.315789 -","- C62 H64 F12 O2 P2 S6 -","19","9.5","","Bendix, Jesper; Bechgaard, Klaus; Christensen, Jørn Bolstad","A new donor for charge-transfer systems: synthesis and properties of 2,4,7,9-tetramethyl-1,6-dithiapyrene (TMDTP) and structure of (TMDTP)3(PF6)2·2THF and TMDTP‒TCNQ","RSC Advances","2021","11","24","14607","14614","10.1039/D1RA00587A","","","0.71073","MoKα","","0.1659","0.1392","","","0.3674","0.3821","","","","","","1.209","","","","has coordinates","264351","2021-04-21","04:19:12",""
"7242689","3.9618","0.0004","9.211","0.0008","9.8478","0.0008","105.537","0.003","90.439","0.003","96.653","0.003","343.62","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","tetramethyldithiopyrene","","- C9 H8 S -","- C9 H8 S -","- C18 H16 S2 -","2","1","","Bendix, Jesper; Bechgaard, Klaus; Christensen, Jørn Bolstad","A new donor for charge-transfer systems: synthesis and properties of 2,4,7,9-tetramethyl-1,6-dithiapyrene (TMDTP) and structure of (TMDTP)3(PF6)2·2THF and TMDTP‒TCNQ","RSC Advances","2021","11","24","14607","14614","10.1039/D1RA00587A","","","0.71073","MoKα","","0.0411","0.0331","","","0.0838","0.0881","","","","","","1.078","","","","has coordinates","264351","2021-04-21","04:19:12",""
"7242690","3.7098","0.0003","17.1976","0.0018","20.181","0.002","82.379","0.004","89.939","0.003","86.046","0.004","1273.1","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H20 N4 S2 -","- C30 H20 N4 S2 -","- C60 H40 N8 S4 -","2","1","","Bendix, Jesper; Bechgaard, Klaus; Christensen, Jørn Bolstad","A new donor for charge-transfer systems: synthesis and properties of 2,4,7,9-tetramethyl-1,6-dithiapyrene (TMDTP) and structure of (TMDTP)3(PF6)2·2THF and TMDTP‒TCNQ","RSC Advances","2021","11","24","14607","14614","10.1039/D1RA00587A","","","0.71073","MoKα","","0.108","0.0961","","","0.2371","0.2448","","","","","","1.134","","","","has coordinates","264351","2021-04-21","04:19:13",""
"7242691","10.0422","0.0006","22.1419","0.0014","26.2315","0.0015","90","","90","","90","","5832.7","0.6","298.08","","298.08","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H33 N O6 -","- C32 H33 N O6 -","- C256 H264 N8 O48 -","8","1","","Thangamani, Murugesan; Thangamalar, Subaramaniam; Srinivasan, Kannupal","Tin(iv) chloride mediated (3 + 2) annulation of trans-2-aroyl-3-styrylcyclopropane-1,1-dicarboxylates with nitriles: diastereoselective access to 5-vinyl-1-pyrroline derivatives","RSC Advances","2021","11","25","14980","14985","10.1039/D1RA01194D","","","0.71073","MoKα","","0.1641","0.0723","","","0.1645","0.2208","","","","","","1.012","","","","has coordinates,has disorder","264390","2021-04-22","04:24:05",""
"7242692","14.182","0.002","14.182","0.002","29.472","0.006","90","","90","","90","","5927.7","1.7","293","2","293","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C36 H44 Cu10 I4 N12 O S6 -","- C36 H42 Cu10 I4 N12 O S6 -","- C144 H168 Cu40 I16 N48 O4 S24 -","4","0.5","","Zhang, Meng Juan; Young, David James; Ma, Ji Long; Shao, Guo Quan","Copper(i) pyrimidine-2-thiolate cluster-based polymers as bifunctional visible-light-photocatalysts for chemoselective transfer hydrogenation of α,β-unsaturated carbonyls","RSC Advances","2021","11","25","14899","14904","10.1039/D1RA01102B","","","0.71073","MoKα","","0.0761","0.0637","","","0.137","0.1436","","","","","","1.107","","","","has coordinates","264391","2021-04-22","04:24:51",""
"7242693","28.313","0.003","15.0425","0.0014","20.956","0.002","90","","124.589","0.003","90","","7347.6","1.3","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C39 H45 Cl6 Cu11 I5 N12 S6 -","- C39 H44 Cl6 Cu11 I5 N12 S6 -","- C156 H176 Cl24 Cu44 I20 N48 S24 -","4","0.5","","Zhang, Meng Juan; Young, David James; Ma, Ji Long; Shao, Guo Quan","Copper(i) pyrimidine-2-thiolate cluster-based polymers as bifunctional visible-light-photocatalysts for chemoselective transfer hydrogenation of α,β-unsaturated carbonyls","RSC Advances","2021","11","25","14899","14904","10.1039/D1RA01102B","","","0.71073","MoKα","","0.109","0.0772","","","0.227","0.2477","","","","","","1.055","","","","has coordinates","264391","2021-04-22","04:24:52",""
"7242695","7.4017","0.0004","9.1653","0.0004","9.6034","0.0004","97.121","0.002","98.953","0.002","106.99","0.003","605.48","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 F N2 O2 -","- C14 H11 F N2 O2 -","- C28 H22 F2 N4 O4 -","2","1","","Tiwari, Surbhi; Arya, Neeru; Mishra, Sandeep Kumar; Suryaprakash, N.","Competing HB acceptors: an extensive NMR investigations corroborated by single crystal XRD and DFT calculations","RSC Advances","2021","11","25","15195","15202","10.1039/D1RA02538D","","","0.71073","MoKα","","0.0683","0.0633","","","0.1959","0.2021","","","","","","1.036","","","","has coordinates","264445","2021-04-23","04:20:40",""
"7242696","6.8961","0.0002","12.333","0.0003","13.6728","0.0003","90","","96.385","0.002","90","","1155.65","0.05","100.01","0.1","100.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 N4 -","- C15 H10 N4 -","- C60 H40 N16 -","4","1","","Gong, Ya-Ping; Yang, Jian; Fang, Ji-Wang; Li, Qian; Yu, Zhi-Yong; Guan, Aijiao; Gong, Han-Yuan","A DNA small molecular probe with increasing K+ concentration promoted selectivity","RSC Advances","2021","11","25","15030","15035","10.1039/D0RA06274J","","","1.54184","CuKα","","0.0398","0.0369","","","0.1156","0.1201","","","","","","1.019","","","","has coordinates","264446","2021-04-23","04:21:13",""
"7242733","9.718","0.01","10.552","0.012","17.4","0.02","88.5","0.04","82.77","0.04","64.17","0.03","1592","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H31 Cl2 O2 P2 Ru S -","- C33 H30 Cl2 O2 P2 Ru S -","- C66 H60 Cl4 O4 P4 Ru2 S2 -","2","1","","Mukherjee, Aparajita; Bhattacharya, Samaresh","Dual utility of a single diphosphine‒ruthenium complex: a precursor for new complexes and, a pre-catalyst for transfer-hydrogenation and Oppenauer oxidation","RSC Advances","2021","11","26","15617","15631","10.1039/D1RA01594J","","","0.71073","MoKα","","0.3591","0.1183","","","0.202","0.298","","","","","","0.945","","","","has coordinates","264681","2021-04-29","04:38:42",""
"7242734","11.5311","0.0005","21.0156","0.0008","16.2155","0.0006","90","","94.246","0.002","90","","3918.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H34 N4 O2 P2 Ru -","- C48 H36 N2 O2 P2 Ru -","- C192 H144 N8 O8 P8 Ru4 -","4","1","","Mukherjee, Aparajita; Bhattacharya, Samaresh","Dual utility of a single diphosphine‒ruthenium complex: a precursor for new complexes and, a pre-catalyst for transfer-hydrogenation and Oppenauer oxidation","RSC Advances","2021","11","26","15617","15631","10.1039/D1RA01594J","","","0.71073","MoKα","","0.1025","0.0597","","","0.1749","0.1997","","","","","","1.135","","","","has coordinates","264681","2021-04-29","04:38:45",""
"7242735","10.5247","0.0004","11.621","0.0004","12.8705","0.0004","86.888","0.002","77.258","0.002","80.961","0.002","1516.01","0.09","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H48 Cl2 O0 P4 Ru -","- C60 H48 Cl2 P4 Ru -","- C60 H48 Cl2 P4 Ru -","1","0.5","","Mukherjee, Aparajita; Bhattacharya, Samaresh","Dual utility of a single diphosphine‒ruthenium complex: a precursor for new complexes and, a pre-catalyst for transfer-hydrogenation and Oppenauer oxidation","RSC Advances","2021","11","26","15617","15631","10.1039/D1RA01594J","","","0.71073","MoKα","","0.0521","0.0478","","","0.1387","0.1437","","","","","","1.029","","","","has coordinates","264681","2021-04-29","04:38:45",""
"7242736","10.0627","0.0004","10.8128","0.0004","20.1657","0.0008","76.224","0.002","79.05","0.003","84.212","0.003","2088.67","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H40 N2 O4 P2 Ru -","- C49 H40 N2 O4 P2 Ru -","- C98 H80 N4 O8 P4 Ru2 -","2","1","","Mukherjee, Aparajita; Bhattacharya, Samaresh","Dual utility of a single diphosphine‒ruthenium complex: a precursor for new complexes and, a pre-catalyst for transfer-hydrogenation and Oppenauer oxidation","RSC Advances","2021","11","26","15617","15631","10.1039/D1RA01594J","","","0.71073","MoKα","","0.0997","0.0537","","","0.1273","0.1518","","","","","","0.943","","","","has coordinates","264681","2021-04-29","04:38:48",""
"7242737","8.902","0.0003","9.3994","0.0004","21.8511","0.0008","90","","90","","90","","1828.36","0.12","100","2","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H29 N O7 -","- C16 H29 N O7 -","- C64 H116 N4 O28 -","4","1","","Weber, Patrick; Fischer, Roland; Nasseri, Seyed A.; Stütz, Arnold E.; Thonhofer, Martin; Withers, Stephen G.; Wolfsgruber, Andreas; Wrodnigg, Tanja M.","New α-galactosidase-inhibiting aminohydroxycyclopentanes","RSC Advances","2021","11","26","15943","15951","10.1039/D1RA02507D","","x-ray","0.71073","MoKα","","0.0353","0.0305","","","0.0729","0.0759","","","","","","1.034","","","","has coordinates","264718","2021-04-30","04:25:07",""
"7242738","8.8147","0.0002","9.9723","0.0002","14.514","0.0004","71.84","0.002","74.029","0.002","82.625","0.002","1164.21","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H23 Br N2 O -","- C28 H23 Br N2 O -","- C56 H46 Br2 N4 O2 -","2","1","","Aksenov, Nicolai A.; Aksenov, Dmitrii A.; Kurenkov, Igor A.; Aksenov, Alexander V.; Skomorokhov, Anton A.; Prityko, Lidiya A.; Rubin, Michael","Preparation of 3,5-diarylsubstituted 5-hydroxy-1,5-dihydro-2H-pyrrol-2-ones via base-assisted cyclization of 3-cyanoketones","RSC Advances","2021","11","27","16236","16245","10.1039/D1RA02279B","","x-ray","1.54184","CuKα","","0.0392","0.0348","","","0.0984","0.1031","","","","","","1.058","","","","has coordinates,has disorder","264751","2021-05-01","05:04:47",""
"7242739","10.8934","0.0001","6.1836","0.0001","20.9171","0.0002","90","","100.573","0.001","90","","1385.06","0.03","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C68 H60 N4 O12 -","4","1","","Aksenov, Nicolai A.; Aksenov, Dmitrii A.; Kurenkov, Igor A.; Aksenov, Alexander V.; Skomorokhov, Anton A.; Prityko, Lidiya A.; Rubin, Michael","Preparation of 3,5-diarylsubstituted 5-hydroxy-1,5-dihydro-2H-pyrrol-2-ones via base-assisted cyclization of 3-cyanoketones","RSC Advances","2021","11","27","16236","16245","10.1039/D1RA02279B","","x-ray","1.54184","CuKα","","0.0414","0.0393","","","0.104","0.1061","","","","","","1.047","","","","has coordinates","264751","2021-05-01","05:04:47",""
"7242740","15.2163","0.0006","15.2163","0.0006","8.191","0.0004","90","","90","","120","","1642.43","0.12","273.15","","273.15","","","","","","","","","5","P -3","-P 3","147","","","","- C33 H31 B K N9 -","- C33 H31 B K N9 -","- C66 H62 B2 K2 N18 -","2","0.333333","","Thomas, Jarrod R.; Sulway, Scott A.","In situ tracking and characterisation of scorpionate ligands via11B-NMR spectroscopy","RSC Advances","2021","11","27","16158","16160","10.1039/D0RA10826J","","","0.71073","MoKα","","0.0646","0.0466","","","0.1219","0.1354","","","","","","1.095","","","","has coordinates,has disorder","264752","2021-05-01","05:05:12",""
"7242748","7.8928","0.0007","19.9184","0.0017","10.8042","0.0009","90","","106.081","0.003","90","","1632.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Cl Co N4 O5 -","- C14 H18 Cl Co N4 O5 -","- C56 H72 Cl4 Co4 N16 O20 -","4","1","","Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G.","Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide","RSC Advances","2021","11","27","16326","16338","10.1039/D1RA02909F","","","0.71073","MoKα","","0.0557","0.0386","","","0.0933","0.1017","","","","","","1.005","","","","has coordinates","264851","2021-05-05","04:10:42",""
"7242749","10.4922","0.0007","10.59","0.0007","15.1072","0.001","90","","90","","90","","1678.6","0.19","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 Co N5 O7 -","- C14 H16 Co N5 O7 -","- C56 H64 Co4 N20 O28 -","4","1","","Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G.","Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide","RSC Advances","2021","11","27","16326","16338","10.1039/D1RA02909F","","","0.71073","MoKα","","0.04","0.0308","","","0.0738","0.0776","","","","","","1.039","","","","has coordinates","264851","2021-05-05","04:10:43",""
"7242750","21.1914","0.001","24.4687","0.0011","11.0348","0.0005","90","","93.193","0.002","90","","5712.9","0.5","150","2","150","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23 H33.5 Cl Co N4.5 O4 -","- C23 H33.5 Cl Co N4.5 O4 -","- C184 H268 Cl8 Co8 N36 O32 -","8","2","","Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G.","Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide","RSC Advances","2021","11","27","16326","16338","10.1039/D1RA02909F","","","1.54178","CuKα","","0.0857","0.0617","","","0.1593","0.1755","","","","","","1.005","","","","has coordinates","295677","2024-10-30","18:34:33",""
"7242751","8.2215","0.0006","10.3798","0.0008","14.8086","0.0011","72.939","0.002","75.785","0.002","89.555","0.002","1168.3","0.15","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H56 Cl4 Co3 N8 O20 -","- C28 H56 Cl4 Co3 N8 O20 -","- C28 H56 Cl4 Co3 N8 O20 -","1","0.5","","Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G.","Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide","RSC Advances","2021","11","27","16326","16338","10.1039/D1RA02909F","","","0.71073","MoKα","","0.022","0.0205","","","0.0565","0.0575","","","","","","1.028","","","","has coordinates","264851","2021-05-05","04:10:43",""
"7242752","8.3937","0.0009","14.4906","0.0016","15.5726","0.0018","90","","97.479","0.004","90","","1878","0.4","293","2","293.48","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl2 Co N4 -","- C20 H16 Cl2 Co N4 -","- C80 H64 Cl8 Co4 N16 -","4","1","","Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G.","Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide","RSC Advances","2021","11","27","16326","16338","10.1039/D1RA02909F","","","0.71073","MoKα","","0.0525","0.03","","","0.0747","0.079","","","","","","1.017","","","","has coordinates","264851","2021-05-05","04:10:43",""
"7242753","14.3084","0.0013","15.7813","0.0015","19.9421","0.0018","71.816","0.003","77.578","0.003","64.57","0.003","3846.3","0.6","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H32 Cl Co N4 O4 -","- C22 H32 Cl Co N4 O4 -","- C88 H128 Cl4 Co4 N16 O16 -","4","2","","Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G.","Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide","RSC Advances","2021","11","27","16326","16338","10.1039/D1RA02909F","","","0.71073","MoKα","","0.1152","0.1066","","","0.3296","0.3402","","","","","","1.242","","","","has coordinates,has disorder","264851","2021-05-05","04:10:43",""
"7242754","21.034","0.0016","8.2876","0.0006","25.1217","0.0019","90","","90","","90","","4379.2","0.6","172","2","171.98","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C14 H16 Co F6 N4 O4 P -","- C14 H16 Co F6 N4 O4 P -","- C112 H128 Co8 F48 N32 O32 P8 -","8","1","","Ruiz, Andrés Castro; Damodaran, Krishna K.; Suman, Sigridur G.","Towards a selective synthetic route for cobalt amino acid complexes and their application in ring opening polymerization of rac-lactide","RSC Advances","2021","11","27","16326","16338","10.1039/D1RA02909F","","","0.71073","MoKα","","0.0411","0.0319","","","0.0935","0.0976","","","","","","1.039","","","","has coordinates","264851","2021-05-05","04:10:44",""
"7242755","13.033","0.015","13.033","0.015","44.95","0.05","90","","90","","120","","6612","13","100","2","100","","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C37 H43 N7 O18 -","- C37 H43 N7 O18 -","- C222 H258 N42 O108 -","6","1","","O'Reilly, Ciaran; Blasco, Salvador; Parekh, Bina; Collins, Helen; Cooke, Gordon; Gunnlaugsson, Thorfinnur; Byrne, Joseph P.","Ruthenium-centred btp glycoclusters as inhibitors for Pseudomonas aeruginosa biofilm formation","RSC Advances","2021","11","27","16318","16325","10.1039/D0RA05107A","","","1.54178","CuKα","","0.0707","0.0618","","","0.1449","0.1507","","","","","","1.075","","","","has coordinates","264980","2021-05-06","04:04:58",""
"7242791","10.6166","0.0004","13.9034","0.0005","19.5343","0.0006","94.873","0.001","102.529","0.001","92.85","0.001","2797.67","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H112 Co14 N24 Na2 O48 S12 -","- C60 H112 Co14 N24 Na2 O48 S12 -","- C60 H112 Co14 N24 Na2 O48 S12 -","1","0.5","","Iman, Khushboo; Ahamad, M. Naqi; Monika,; Ansari, Azaj; Saleh, Hatem A. M.; Khan, M. Shahnawaz; Ahmad, Musheer; Haque, Rosenani A.; Shahid, M.","How to identify a smoker: a salient crystallographic approach to detect thiocyanate content","RSC Advances","2021","11","28","16881","16891","10.1039/D1RA01749G","","","0.71073","MoKα","","0.0696","0.0501","","","0.115","0.1297","","","","","","1.0481","","","","has coordinates","265054","2021-05-08","04:10:15",""
"7242792","12.3559","0.0008","12.4348","0.0008","20.8341","0.0013","82.586","0.002","81.206","0.002","68.792","0.002","2939.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H128 Co14 N24 O37 S12 -","- C76 H128 Co14 N24 O37 S12 -","- C76 H128 Co14 N24 O37 S12 -","1","0.5","","Iman, Khushboo; Ahamad, M. Naqi; Monika,; Ansari, Azaj; Saleh, Hatem A. M.; Khan, M. Shahnawaz; Ahmad, Musheer; Haque, Rosenani A.; Shahid, M.","How to identify a smoker: a salient crystallographic approach to detect thiocyanate content","RSC Advances","2021","11","28","16881","16891","10.1039/D1RA01749G","","","0.71073","MoKα","","0.0877","0.0784","","","0.211","0.2202","","","","","","1.0464","","","","has coordinates","265054","2021-05-08","04:10:16",""
"7242793","10.4453","0.0005","22.5325","0.0009","22.4558","0.001","90","","91.003","0.002","90","","5284.4","0.4","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H48 Co7 N10 O20 S5 -","- C29 H48 Co7 N10 O20 S5 -","- C116 H192 Co28 N40 O80 S20 -","4","1","","Iman, Khushboo; Ahamad, M. Naqi; Monika,; Ansari, Azaj; Saleh, Hatem A. M.; Khan, M. Shahnawaz; Ahmad, Musheer; Haque, Rosenani A.; Shahid, M.","How to identify a smoker: a salient crystallographic approach to detect thiocyanate content","RSC Advances","2021","11","28","16881","16891","10.1039/D1RA01749G","","","0.71073","MoKα","","0.0639","0.0508","","","0.1366","0.1503","","","","","","1.082","","","","has coordinates,has disorder","265054","2021-05-08","04:10:16",""
"7242794","14.366","0.002","24.779","0.004","11.2288","0.0019","90","","90.011","0.002","90","","3997.2","1.1","143","2","143","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C44 H29 N4 O4 Zn -","- C44 H29 N4 O4 Zn -","- C176 H116 N16 O16 Zn4 -","4","1","","Ni, Jian-Ling; Liang, Yu; Shao, Juan-Juan; Li, Jun-Feng; Zhou, Ze-Yu; Wang, Fang-Ming; Chen, Li-Zhuang","Selective fluorescent sensing of LMOFs constructed from tri(4-pyridylphenyl)amine ligand","RSC Advances","2021","11","28","16989","16995","10.1039/D1RA00726B","","","0.71073","MoKα","","0.1413","0.0949","","","0.2634","0.3028","","","","","","1.037","","","","has coordinates,has disorder","265055","2021-05-08","04:11:27",""
"7242795","11.885","0.003","32.905","0.008","10.927","0.003","90","","98.71","0.003","90","","4224","1.9","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H32 Cd N4 O5 -","- C47 H32 Cd N4 O5 -","- C188 H128 Cd4 N16 O20 -","4","1","","Ni, Jian-Ling; Liang, Yu; Shao, Juan-Juan; Li, Jun-Feng; Zhou, Ze-Yu; Wang, Fang-Ming; Chen, Li-Zhuang","Selective fluorescent sensing of LMOFs constructed from tri(4-pyridylphenyl)amine ligand","RSC Advances","2021","11","28","16989","16995","10.1039/D1RA00726B","","","0.71073","MoKα","","0.1099","0.0878","","","0.2247","0.2391","","","","","","1.081","","","","has coordinates,has disorder","265055","2021-05-08","04:11:28",""
"7242796","8.04","0.005","27.239","0.017","25.707","0.016","90","","97.818","0.008","90","","5578","6","296","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C61 H40 N4 O8 Zn2 -","- C61 H40 N4 O8 Zn2 -","- C244 H160 N16 O32 Zn8 -","4","1","","Ni, Jian-Ling; Liang, Yu; Shao, Juan-Juan; Li, Jun-Feng; Zhou, Ze-Yu; Wang, Fang-Ming; Chen, Li-Zhuang","Selective fluorescent sensing of LMOFs constructed from tri(4-pyridylphenyl)amine ligand","RSC Advances","2021","11","28","16989","16995","10.1039/D1RA00726B","","x-ray","0.71073","MoKα","","0.091","0.0677","","","0.1597","0.17","","","","","","1.122","","","","has coordinates","265055","2021-05-08","04:11:28",""
"7242816","12.3545","0.0004","11.999","0.0004","14.3274","0.0006","90","","94.051","0.001","90","","2118.61","0.13","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 Br N2 O2 S -","- C23 H21 Br N2 O2 S -","- C92 H84 Br4 N8 O8 S4 -","4","1","","He, Han; Xu, Ning; Zhang, Honglin; Chen, Bin; Hu, Zhengnan; Guo, Kang; Chun, Jianlin; Cao, Shujun; Zhu, Yingguang","Brønsted acid-promoted hydroamination of unsaturated hydrazones: access to biologically important 5-arylpyrazolines","RSC Advances","2021","11","28","17340","17345","10.1039/D1RA03043D","","","0.71073","MoKα","","0.0672","0.043","","","0.1048","0.1167","","","","","","1.016","","","","has coordinates","265124","2021-05-12","04:02:22",""
"7242819","10.51","0.04","12.83","0.14","11.14","0.1","90","","100.2","0.6","90","","1478","2","293","2","80","2","","","","","","","","5","P 1 21 1","P 2yb","4","","remdesivir","","- C27 H34 N6 O8 P -","- C27 H35 N6 O8 P -","- C54 H70 N12 O16 P2 -","2","1","","Sekharan, Sivakumar; Liu, Xuetao; Yang, Zhuocen; Liu, Xiang; Deng, Li; Ruan, Shigang; Abramov, Yuriy; Sun, GuangXu; Li, Sizhu; Zhou, Tian; Shi, Baime; Zeng, Qun; Zeng, Qiao; Chang, Chao; Jin, Yingdi; Shi, Xuekun","Selecting a stable solid form of remdesivir using microcrystal electron diffraction and crystal structure prediction","RSC Advances","2021","11","28","17408","17412","10.1039/D1RA03100G","","","0.02508","","","0.2289","0.1564","","","0.359","0.4145","","","","","","1.02","","","","has coordinates","265167","2021-05-13","04:03:55",""
"7242820","10.35","0.07","12.5","0.2","11.52","0.18","90","","103.7","0.7","90","","1448","3","293","2","80","2","","","","","","","","5","P 1 21 1","P 2yb","4","","remdesivir","","- C27 H35 N6 O8 P -","- C27 H35 N6 O8 P -","- C54 H70 N12 O16 P2 -","2","1","","Sekharan, Sivakumar; Liu, Xuetao; Yang, Zhuocen; Liu, Xiang; Deng, Li; Ruan, Shigang; Abramov, Yuriy; Sun, GuangXu; Li, Sizhu; Zhou, Tian; Shi, Baime; Zeng, Qun; Zeng, Qiao; Chang, Chao; Jin, Yingdi; Shi, Xuekun","Selecting a stable solid form of remdesivir using microcrystal electron diffraction and crystal structure prediction","RSC Advances","2021","11","28","17408","17412","10.1039/D1RA03100G","","","0.02508","","","0.2348","0.1582","","","0.3548","0.4009","","","","","","1.027","","","","has coordinates","265167","2021-05-13","04:03:58",""
"7242821","10.03","0.07","12.2","0.2","11.44","0.18","90","","104.4","0.7","90","","1356","3","293","2","80","2","","","","","","","","5","P 1 21 1","P 2yb","4","","remdesivir","","- C27 H35 N6 O8 P -","- C27 H35 N6 O8 P -","- C54 H70 N12 O16 P2 -","2","1","","Sekharan, Sivakumar; Liu, Xuetao; Yang, Zhuocen; Liu, Xiang; Deng, Li; Ruan, Shigang; Abramov, Yuriy; Sun, GuangXu; Li, Sizhu; Zhou, Tian; Shi, Baime; Zeng, Qun; Zeng, Qiao; Chang, Chao; Jin, Yingdi; Shi, Xuekun","Selecting a stable solid form of remdesivir using microcrystal electron diffraction and crystal structure prediction","RSC Advances","2021","11","28","17408","17412","10.1039/D1RA03100G","","","0.02508","","","0.2346","0.1592","","","0.3599","0.4041","","","","","","1.033","","","","has coordinates","265167","2021-05-13","04:03:59",""
"7242822","10.21","0.04","12.49","0.14","10.85","0.1","90","","100.9","0.6","90","","1359","2","80","2","80","2","","","","","","","","5","P 1 21 1","P 2yb","4","","remdesivir","","- C27 H34 N6 O8 P -","- C27 H35 N6 O8 P -","- C54 H70 N12 O16 P2 -","2","1","","Sekharan, Sivakumar; Liu, Xuetao; Yang, Zhuocen; Liu, Xiang; Deng, Li; Ruan, Shigang; Abramov, Yuriy; Sun, GuangXu; Li, Sizhu; Zhou, Tian; Shi, Baime; Zeng, Qun; Zeng, Qiao; Chang, Chao; Jin, Yingdi; Shi, Xuekun","Selecting a stable solid form of remdesivir using microcrystal electron diffraction and crystal structure prediction","RSC Advances","2021","11","28","17408","17412","10.1039/D1RA03100G","","","0.02508","","","0.2331","0.1609","","","0.368","0.4225","","","","","","1.042","","","","has coordinates","265167","2021-05-13","04:03:59",""
"7242823","5.64","0.003","11.024","0.006","28.315","0.015","90","","92.102","0.012","90","","1759.3","1.6","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C34 H18 O8 Th -","- C34 H18 O8 Th -","- C68 H36 O16 Th2 -","2","0.5","","Yu, Ting; Qian, Zheng-hua; Li, Lin; Wu, Xiao-ling; He, Hui; Qiao, Yan-bo; Ye, Guo-an","Synthesis of luminescent thorium-based metal‒organic frameworks with 1,2,4,5-tetrakis(4-carboxyphenyl)benzene","RSC Advances","2021","11","28","17431","17436","10.1039/D1RA01742J","","","1.34139","GaKα","","0.119","0.097","","","0.2586","0.2768","","","","","","1.064","","","","has coordinates","265168","2021-05-13","04:04:47",""
"7242824","12.077","0.0015","31.421","0.004","14.83","0.002","90","","112.117","0.004","90","","5213.5","1.2","190","2","189.7","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H27 N O10 Th -","- C37 H27 N O10 Th -","- C148 H108 N4 O40 Th4 -","4","1","","Yu, Ting; Qian, Zheng-hua; Li, Lin; Wu, Xiao-ling; He, Hui; Qiao, Yan-bo; Ye, Guo-an","Synthesis of luminescent thorium-based metal‒organic frameworks with 1,2,4,5-tetrakis(4-carboxyphenyl)benzene","RSC Advances","2021","11","28","17431","17436","10.1039/D1RA01742J","","","1.34139","GaKα","","0.1238","0.0949","","","0.2562","0.2882","","","","","","1.042","","","","has coordinates","265168","2021-05-13","04:04:48",""
"7242825","33.443","0.002","16.4404","0.0009","20.0127","0.0012","90","","90","","90","","11003.3","1.1","170","2","170","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C34 H18 O15 Th2 -","- C34 H18 O15 Th2 -","- C272 H144 O120 Th16 -","8","0.5","","Yu, Ting; Qian, Zheng-hua; Li, Lin; Wu, Xiao-ling; He, Hui; Qiao, Yan-bo; Ye, Guo-an","Synthesis of luminescent thorium-based metal‒organic frameworks with 1,2,4,5-tetrakis(4-carboxyphenyl)benzene","RSC Advances","2021","11","28","17431","17436","10.1039/D1RA01742J","","","1.34139","GaKα","","0.0997","0.0808","","","0.2164","0.2356","","","","","","1.061","","","","has coordinates","265168","2021-05-13","04:04:48",""
"7242826","19.3983","0.0008","23.5501","0.0012","18.7638","0.0007","90","","90","","90","","8571.9","0.6","150","","150","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H114 Cl7 Cr2 Dy5 O90 -","- C22 H42 Cl2 Cr2 Dy5 O49 -","- C88 H168 Cl8 Cr8 Dy20 O196 -","4","0.5","","Yin, Jia-Jia; Lu, Tian-Qi; Chen, Cheng; Shi, Hai-Yan; Zhuang, Gui-Lin; Zheng, Jun; Fang, Xiaolong; Zheng, Xiu-Ying","A new family of decanuclear Ln7Cr3 clusters exhibiting a magnetocaloric effect","RSC Advances","2021","11","28","17346","17351","10.1039/D1RA02734D","","","1.54186","CuKα","","0.1084","0.0673","","","0.1663","0.1891","","","","","","1.002","","","","has coordinates","265169","2021-05-13","04:05:44",""
"7242827","19.483","0","23.488","0","18.895","0","90","","90","","90","","8646.67","","150","","150","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C22 H138 Cl7 Cr2 Gd5 O102 -","- C22 H44.2 Cl2 Cr2 Gd5 O48.74 -","- C88 H176.8 Cl8 Cr8 Gd20 O194.96 -","4","0.5","","Yin, Jia-Jia; Lu, Tian-Qi; Chen, Cheng; Shi, Hai-Yan; Zhuang, Gui-Lin; Zheng, Jun; Fang, Xiaolong; Zheng, Xiu-Ying","A new family of decanuclear Ln7Cr3 clusters exhibiting a magnetocaloric effect","RSC Advances","2021","11","28","17346","17351","10.1039/D1RA02734D","","","1.54186","CuKα","","0.1088","0.0709","","","0.1754","0.1984","","","","","","1.04","","","","has coordinates","265169","2021-05-13","04:05:44",""
"7242843","11.296","0.004","8.333","0.003","16.662","0.004","90","","108.1","0.02","90","","1490.8","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 Br5 N3 O Sb -","- C5 H11 Br5 N3 O Sb -","- C20 H44 Br20 N12 O4 Sb4 -","4","1","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard","Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii)","RSC Advances","2021","11","29","17574","17586","10.1039/D0RA10151F","","x-ray","0.71073","MoKα","","0.0623","0.0354","","","0.0577","0.067","","","","","","1.011","","","","has coordinates","265210","2021-05-14","04:22:05",""
"7242844","5.752","0.004","15.263","0.005","10.633","0.004","90","","104.77","0.02","90","","902.7","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 Bi Br5 N4 S2 -","- C8 H10 Bi Br5 N4 S2 -","- C16 H20 Bi2 Br10 N8 S4 -","2","0.5","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard","Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii)","RSC Advances","2021","11","29","17574","17586","10.1039/D0RA10151F","","x-ray","0.71073","MoKα","","0.0355","0.0266","","","0.0536","0.0566","","","","","","1.03","","","","has coordinates","265210","2021-05-14","04:22:06",""
"7242845","5.54","0.004","14.91","0.005","10.21","0.005","90","","104.08","0.02","90","","818","0.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 Cl5 N4 S2 Sb -","- C8 H10 Cl5 N4 S2 Sb -","- C16 H20 Cl10 N8 S4 Sb2 -","2","0.5","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard","Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii)","RSC Advances","2021","11","29","17574","17586","10.1039/D0RA10151F","","x-ray","0.71073","MoKα","","0.042","0.0293","","","0.0508","0.0565","","","","","","1.051","","","","has coordinates","265210","2021-05-14","04:22:06",""
"7242846","5.626","0.003","18.512","0.005","8.957","0.004","90","","91.09","0.02","90","","932.7","0.7","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C10 H18 Cl5 N6 O Sb -","- C10 H18 Cl5 N6 O Sb -","- C20 H36 Cl10 N12 O2 Sb2 -","2","0.5","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard","Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii)","RSC Advances","2021","11","29","17574","17586","10.1039/D0RA10151F","","x-ray","0.71073","MoKα","","0.0196","0.018","","","0.0438","0.0443","","","","","","1.124","","","","has coordinates","265210","2021-05-14","04:22:06",""
"7242847","9.775","0.004","9.808","0.004","11.435","0.005","76.78","0.02","65.46","0.02","82.72","0.02","970.2","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H32 Bi2 Br10 N12 -","- C20 H32 Bi2 Br10 N12 -","- C20 H32 Bi2 Br10 N12 -","1","0.5","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard","Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii)","RSC Advances","2021","11","29","17574","17586","10.1039/D0RA10151F","","x-ray","0.71073","MoKα","","0.0232","0.0207","","","0.0505","0.0515","","","","","","1.064","","","","has coordinates","265210","2021-05-14","04:22:06",""
"7242848","19.226","0.004","13.018","0.004","14.193","0.004","90","","100.74","0.02","90","","3490.1","1.6","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H28 Bi2 Cl10 N12 O2 -","- C16 H28 Bi2 Cl10 N12 O2 -","- C64 H112 Bi8 Cl40 N48 O8 -","4","0.5","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard","Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii)","RSC Advances","2021","11","29","17574","17586","10.1039/D0RA10151F","","x-ray","0.71073","MoKα","","0.0498","0.0301","","","0.0414","0.0463","","","","","","0.966","","","","has coordinates","265210","2021-05-14","04:22:07",""
"7242849","5.586","0.003","18.595","0.006","8.97","0.004","90","","90.66","0.02","90","","931.7","0.7","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C10 H18 Bi Cl5 N6 O -","- C10 H18 Bi Cl5 N6 O -","- C20 H36 Bi2 Cl10 N12 O2 -","2","0.5","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard","Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii)","RSC Advances","2021","11","29","17574","17586","10.1039/D0RA10151F","","x-ray","0.71073","MoKα","","0.0233","0.0226","","","0.0557","0.0561","","","","","","1.065","","","","has coordinates","265210","2021-05-14","04:22:07",""
"7242850","5.713","0.003","14.125","0.005","10.254","0.004","90","","105.65","0.02","90","","796.8","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H12 Cl5 N6 Sb -","- C8 H12 Cl5 N6 Sb -","- C16 H24 Cl10 N12 Sb2 -","2","1","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard","Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii)","RSC Advances","2021","11","29","17574","17586","10.1039/D0RA10151F","","x-ray","0.71073","MoKα","","0.0254","0.0236","","","0.0522","0.0531","","","","","","1.081","","","","has coordinates,has disorder","265210","2021-05-14","04:22:07",""
"7242851","5.5","0.004","15.082","0.005","10.36","0.004","90","","104.39","0.02","90","","832.4","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 Bi Cl5 N4 S2 -","- C8 H10 Bi Cl5 N4 S2 -","- C16 H20 Bi2 Cl10 N8 S4 -","2","0.5","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard","Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii)","RSC Advances","2021","11","29","17574","17586","10.1039/D0RA10151F","","x-ray","0.71073","MoKα","","0.0286","0.0189","","","0.0348","0.0373","","","","","","1.019","","","","has coordinates","265210","2021-05-14","04:22:07",""
"7242852","5.946","0.003","14.401","0.004","10.621","0.004","90","","105.31","0.02","90","","877.2","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H12 Br5 N6 Sb -","- C8 H12 Br5 N6 Sb -","- C16 H24 Br10 N12 Sb2 -","2","1","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard","Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii)","RSC Advances","2021","11","29","17574","17586","10.1039/D0RA10151F","","x-ray","0.71073","MoKα","","0.025","0.0226","","","0.0487","0.0498","","","","","","1.099","","","","has coordinates","265210","2021-05-14","04:22:07",""
"7242853","7.8733","0.0003","11.4038","0.0005","11.618","0.0005","115.801","0.005","96.295","0.003","98.857","0.003","909.46","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H12 Bi Br5 N6 -","- C8 H12 Bi Br5 N6 -","- C16 H24 Bi2 Br10 N12 -","2","1","","Owczarek, Magdalena; Szklarz, Przemysław; Jakubas, Ryszard","Towards ferroelectricity-inducing chains of halogenoantimonates(iii) and halogenobismuthates(iii)","RSC Advances","2021","11","29","17574","17586","10.1039/D0RA10151F","","x-ray","0.71073","MoKα","","0.0648","0.0546","","","0.1377","0.1499","","","","","","1.043","","","","has coordinates","265210","2021-05-14","04:22:07",""
"7242867","20.8714","0.0008","5.6704","0.0002","17.1989","0.0006","90","","114.207","0.0018","90","","1856.49","0.12","90","0.5","90","0.5","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N3 O2 S -","- C22 H19 N3 O2 S -","- C88 H76 N12 O8 S4 -","4","1","","Thushara, Nadini; Darshani, Taniya; Samarakoon, Sameera R.; Perera, Inoka C.; Fronczek, Frank R.; Sameera, W. M. C.; Perera, Theshini","Synthesis, characterization and biological evaluation of dipicolylamine sulfonamide derivatized platinum complexes as potential anticancer agents","RSC Advances","2021","11","29","17658","17668","10.1039/D1RA00842K","","","0.71073","MoKα","","0.0418","0.0352","","","0.0974","0.1024","","","","","","1.057","","","","has coordinates","265239","2021-05-15","04:00:55",""
"7242868","26.7076","0.0007","8.7572","0.0002","18.7201","0.0004","90","","91.356","0.001","90","","4377.1","0.18","100","0.5","100","0.5","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 Cl2 N3 O2 Pt S -","- C22 H19 Cl2 N3 O2 Pt S -","- C176 H152 Cl16 N24 O16 Pt8 S8 -","8","1","","Thushara, Nadini; Darshani, Taniya; Samarakoon, Sameera R.; Perera, Inoka C.; Fronczek, Frank R.; Sameera, W. M. C.; Perera, Theshini","Synthesis, characterization and biological evaluation of dipicolylamine sulfonamide derivatized platinum complexes as potential anticancer agents","RSC Advances","2021","11","29","17658","17668","10.1039/D1RA00842K","","","0.71073","MoKα","","0.0719","0.0365","","","0.0689","0.0795","","","","","","1.003","","","","has coordinates,has disorder","265239","2021-05-15","04:00:56",""
"7242869","25.9376","0.001","9.6371","0.0003","17.6498","0.0006","90","","97.188","0.004","90","","4377.1","0.3","100","0.5","100","0.5","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 Cl2 N3 O2 Pt S -","- C22 H19 Cl2 N3 O2 Pt S -","- C176 H152 Cl16 N24 O16 Pt8 S8 -","8","1","","Thushara, Nadini; Darshani, Taniya; Samarakoon, Sameera R.; Perera, Inoka C.; Fronczek, Frank R.; Sameera, W. M. C.; Perera, Theshini","Synthesis, characterization and biological evaluation of dipicolylamine sulfonamide derivatized platinum complexes as potential anticancer agents","RSC Advances","2021","11","29","17658","17668","10.1039/D1RA00842K","","","0.71073","MoKα","","0.0501","0.0298","","","0.0629","0.0697","","","","","","1.025","","","","has coordinates,has disorder","265239","2021-05-15","04:00:56",""
"7242870","17.5316","0.0005","9.5135","0.0002","24.202","0.0009","90","","91.872","0.002","90","","4034.4","0.2","90","0.5","90","0.5","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C17 H22 Cl2 N4 O2 Pt S -","- C17 H22 Cl2 N4 O2 Pt S -","- C136 H176 Cl16 N32 O16 Pt8 S8 -","8","1","","Thushara, Nadini; Darshani, Taniya; Samarakoon, Sameera R.; Perera, Inoka C.; Fronczek, Frank R.; Sameera, W. M. C.; Perera, Theshini","Synthesis, characterization and biological evaluation of dipicolylamine sulfonamide derivatized platinum complexes as potential anticancer agents","RSC Advances","2021","11","29","17658","17668","10.1039/D1RA00842K","","","0.71073","MoKα","","0.0704","0.0397","","","0.0688","0.0767","","","","","","0.979","","","","has coordinates","265239","2021-05-15","04:00:56",""
"7242871","7.7002","0.0007","14.3978","0.0016","12.7602","0.0011","90","","90","","90","","1414.7","0.2","150","2","150","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C4 H5 N5 O4 -","- C4 H5 N5 O4 -","- C32 H40 N40 O32 -","8","0.5","","Wozniak, Dominique R.; Zeller, Matthias; Byrd, Edward F. C.; Piercey, Davin G.","3-Methyl-1,2,3-triazolium-1N-dinitromethylylide and the strategy of zwitterionic dinitromethyl groups in energetic materials design","RSC Advances","2021","11","29","17710","17714","10.1039/D1RA00953B","","","1.54178","CuKα","","0.0483","0.0461","","","0.1406","0.1427","","","","","","1.16","","","","has coordinates","265240","2021-05-15","04:01:31",""
"7242886","10.0606","0.0015","20.736","0.003","22.81","0.003","90","","90","","90","","4758.5","1.2","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C63 H52 N2 O4 -","- C63 H52 N2 O4 -","- C252 H208 N8 O16 -","4","1","","Kodama, Koichi; Takase, Fusato; Hirose, Takuji","Direct enantioseparation of axially chiral 1,1′-biaryl-2,2′-diols using amidine-based resolving agents","RSC Advances","2021","11","30","18162","18170","10.1039/D1RA03546K","","","0.71073","MoKα","","0.0797","0.0419","","","0.0754","0.0858","","","","","","0.794","","","","has coordinates","265356","2021-05-20","04:24:56",""
"7242887","9.4244","0.0013","5.0509","0.0007","13.2982","0.0018","90","","100.928","0.002","90","","621.54","0.15","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 N3 O3 -","- C13 H13 N3 O3 -","- C26 H26 N6 O6 -","2","1","","Kodama, Koichi; Takase, Fusato; Hirose, Takuji","Direct enantioseparation of axially chiral 1,1′-biaryl-2,2′-diols using amidine-based resolving agents","RSC Advances","2021","11","30","18162","18170","10.1039/D1RA03546K","","","0.71073","MoKα","","0.0527","0.0518","","","0.1366","0.1376","","","","","","1.037","","","","has coordinates","265356","2021-05-20","04:24:56",""
"7242888","10.6751","0.0015","12.6375","0.0017","23.647","0.003","90","","90","","90","","3190.1","0.7","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H44 N2 O2 -","- C40 H44 N2 O2 -","- C160 H176 N8 O8 -","4","1","","Kodama, Koichi; Takase, Fusato; Hirose, Takuji","Direct enantioseparation of axially chiral 1,1′-biaryl-2,2′-diols using amidine-based resolving agents","RSC Advances","2021","11","30","18162","18170","10.1039/D1RA03546K","","","0.71073","MoKα","","0.0523","0.0416","","","0.0901","0.0936","","","","","","0.95","","","","has coordinates","265356","2021-05-20","04:24:56",""
"7242889","7.8533","0.001","11.2055","0.0014","14.9614","0.0018","109.965","0.002","95.868","0.002","95.134","0.002","1220.1","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H18 Br2 N4 S2 -","- C27 H18 Br2 N4 S2 -","- C54 H36 Br4 N8 S4 -","2","1","","Wang, Kai-Kai; Li, Yan-Li; Guo, Dong-Guang; Pan, Peng-Tao; Sun, Aili; Chen, Rongxiang","Synthesis of spiro[4.4]thiadiazole derivatives via double 1,3-dipolar cycloaddition of hydrazonyl chlorides with carbon disulfide","RSC Advances","2021","11","30","18404","18407","10.1039/D1RA03229A","","","0.71073","MoKα","","0.0518","0.0333","","","0.0863","0.0924","","","","","","0.947","","","","has coordinates","265451","2021-05-22","04:19:21",""
"7242906","6.1285","0.0005","32.973","0.003","7.7602","0.0006","90","","108.863","0.003","90","","1483.9","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Ochracine F","","- C15 H25 O5.5 -","- C15 H25 O5.5 -","- C60 H100 O22 -","4","2","","Zhao, Zhen-Zhu; Zhao, Qi-Lu; Feng, Wei-Sheng; He, Hai-Rong; Li, Meng; Xue, Gui-Min; Chen, He-Ping; Liu, Ji-Kai","Structure and absolute configuration assignments of ochracines F–L, chamigrane and cadinane sesquiterpenes from the basidiomycete Steccherinum ochraceum HFG119","RSC Advances","2021","11","31","18693","18701","10.1039/D1RA03320D","","","1.54178","CuKα","","0.0615","0.0579","","","0.1595","0.1664","","","","","","1.049","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7242908","17.676","0.0004","17.676","0.0004","13.136","0.0004","90","","90","","120","","3554.36","0.16","156","2","156","2","","","","","","","","4","P 65","P 65","170","","","","- C25 H35 N O5 -","- C25 H35 N O5 -","- C150 H210 N6 O30 -","6","1","","Yi, Xue-Wen; He, Juan; Sun, Li-Tang; Liu, Ji-Kai; Wang, Guo-Kai; Feng, Tao","3-Decalinoyltetramic acids from kiwi-associated fungus Zopfiella sp. and their antibacterial activity against Pseudomonas syringae","RSC Advances","2021","11","31","18827","18831","10.1039/D1RA02120F","","","1.54178","CuKα","","0.0299","0.0285","","","0.0676","0.0688","","","","","","1.077","","","","has coordinates","265495","2021-05-26","04:21:46",""
"7242909","6.8544","0.0003","43.892","0.0019","6.7683","0.0003","90","","90","","90","","2036.27","0.15","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H29 N O4 -","- C23 H29 N O4 -","- C92 H116 N4 O16 -","4","1","","Yi, Xue-Wen; He, Juan; Sun, Li-Tang; Liu, Ji-Kai; Wang, Guo-Kai; Feng, Tao","3-Decalinoyltetramic acids from kiwi-associated fungus Zopfiella sp. and their antibacterial activity against Pseudomonas syringae","RSC Advances","2021","11","31","18827","18831","10.1039/D1RA02120F","","","1.54178","CuKα","","0.0596","0.0581","","","0.1584","0.1593","","","","","","1.11","","","","has coordinates","265495","2021-05-26","04:21:46",""
"7242910","11.5549","0.0009","14.9462","0.0011","12.0964","0.0009","90","","90","","90","","2089.1","0.3","223","2","223","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C17 H23 Br2 Cd N5 O -","- C17 H23 Br2 Cd N5 O -","- C68 H92 Br8 Cd4 N20 O4 -","4","1","","Choe, Solhye; Lee, Hyosun; Nayab, Saira","Synthesis, structures, and catalytic efficiency in ring opening polymerization of rac-lactide with tridentate vs. bidentate cobalt(ii), zinc(ii), and cadmium(ii) complexes containing N-substituted N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amine ligands","RSC Advances","2021","11","31","18840","18851","10.1039/D1RA02365A","","","0.71073","MoKα","","0.045","0.0305","","","0.0717","0.0933","","","","","","1.065","","","","has coordinates","265496","2021-05-26","04:23:17",""
"7242911","8.983","0.0018","13.25","0.003","21.86","0.004","107.51","0.03","99.64","0.03","93.76","0.03","2427.6","1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H29 Br2 Cd N5 -","- C21 H29 Br2 Cd N5 -","- C84 H116 Br8 Cd4 N20 -","4","2","","Choe, Solhye; Lee, Hyosun; Nayab, Saira","Synthesis, structures, and catalytic efficiency in ring opening polymerization of rac-lactide with tridentate vs. bidentate cobalt(ii), zinc(ii), and cadmium(ii) complexes containing N-substituted N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amine ligands","RSC Advances","2021","11","31","18840","18851","10.1039/D1RA02365A","","","0.7","synchrotron","","0.0799","0.0554","","","0.138","0.1479","","","","","","0.872","","","","has coordinates","265496","2021-05-26","04:23:17",""
"7242912","12.837","0.003","12.585","0.003","14.222","0.003","90","","92.04","0.03","90","","2296.2","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 Cl2 N5 Zn -","- C21 H29 Cl2 N5 Zn -","- C84 H116 Cl8 N20 Zn4 -","4","1","","Choe, Solhye; Lee, Hyosun; Nayab, Saira","Synthesis, structures, and catalytic efficiency in ring opening polymerization of rac-lactide with tridentate vs. bidentate cobalt(ii), zinc(ii), and cadmium(ii) complexes containing N-substituted N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amine ligands","RSC Advances","2021","11","31","18840","18851","10.1039/D1RA02365A","","","0.61","synchrotron","","0.042","0.0386","","","0.1085","0.1105","","","","","","1.142","","","","has coordinates","265496","2021-05-26","04:23:22",""
"7242913","12.775","0.003","12.623","0.003","14.263","0.003","90","","92","0.03","90","","2298.6","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H29 Cl2 Co N5 -","- C21 H29 Cl2 Co N5 -","- C84 H116 Cl8 Co4 N20 -","4","1","","Choe, Solhye; Lee, Hyosun; Nayab, Saira","Synthesis, structures, and catalytic efficiency in ring opening polymerization of rac-lactide with tridentate vs. bidentate cobalt(ii), zinc(ii), and cadmium(ii) complexes containing N-substituted N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amine ligands","RSC Advances","2021","11","31","18840","18851","10.1039/D1RA02365A","","","0.63","synchrotron","","0.0686","0.0502","","","0.131","0.1393","","","","","","1.122","","","","has coordinates","265496","2021-05-26","04:23:32",""
"7242914","13.536","0.003","10.185","0.002","14.325","0.003","90","","95.38","0.03","90","","1966.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 Cl2 Co N5 O -","- C17 H23 Cl2 Co N5 O -","- C68 H92 Cl8 Co4 N20 O4 -","4","1","","Choe, Solhye; Lee, Hyosun; Nayab, Saira","Synthesis, structures, and catalytic efficiency in ring opening polymerization of rac-lactide with tridentate vs. bidentate cobalt(ii), zinc(ii), and cadmium(ii) complexes containing N-substituted N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amine ligands","RSC Advances","2021","11","31","18840","18851","10.1039/D1RA02365A","","","0.7","synchrotron","","0.0694","0.0652","","","0.1951","0.1999","","","","","","1.151","","","","has coordinates","265496","2021-05-26","04:23:32",""
"7242915","14.177","0.003","11.34","0.002","12.075","0.002","90","","90","","90","","1941.3","0.6","98","2","98","2","","","","","","","","6","C m c 21","C 2c -2","36","","","","- C17 H23 Cl2 N5 O Zn -","- C17 H23 Cl2 N5 O Zn -","- C68 H92 Cl8 N20 O4 Zn4 -","4","0.5","","Choe, Solhye; Lee, Hyosun; Nayab, Saira","Synthesis, structures, and catalytic efficiency in ring opening polymerization of rac-lactide with tridentate vs. bidentate cobalt(ii), zinc(ii), and cadmium(ii) complexes containing N-substituted N,N-bis((3,5-dimethyl-1H-pyrazol-1-yl)methyl)amine ligands","RSC Advances","2021","11","31","18840","18851","10.1039/D1RA02365A","","","0.7","synchrotron","","0.0534","0.0526","","","0.1597","0.1601","","","","","","1.198","","","","has coordinates","265496","2021-05-26","04:23:32",""
"7242916","17.6427","0.0009","11.2395","0.0006","14.1794","0.0007","90","","95.121","0.001","90","","2800.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H38 S2 Si2 -","- C28 H38 S2 Si2 -","- C112 H152 S8 Si8 -","4","1","","Obayashi, Kotaro; Imato, Keiichi; Aoyama, Satoshi; Enoki, Toshiaki; Akiyama, Seiji; Ishida, Mio; Suga, Seiji; Mitsudo, Koichi; Ooyama, Yousuke","Synthesis, optical and electrochemical properties of 4,4′-bibenzo[c]thiophene derivatives","RSC Advances","2021","11","31","18870","18880","10.1039/D1RA01189H","","","0.71073","MoKa","","0.0343","0.0292","","","0.0711","0.0743","","","","","","0.955","","","","has coordinates","265497","2021-05-26","04:24:29",""
"7242917","7.5572","0.0009","13.6372","0.0016","22.295","0.003","72.523","0.001","89.93","0.001","81.09","0.001","2162.7","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H66 S2 Si4 -","- C40 H66 S2 Si4 -","- C80 H132 S4 Si8 -","2","1","","Obayashi, Kotaro; Imato, Keiichi; Aoyama, Satoshi; Enoki, Toshiaki; Akiyama, Seiji; Ishida, Mio; Suga, Seiji; Mitsudo, Koichi; Ooyama, Yousuke","Synthesis, optical and electrochemical properties of 4,4′-bibenzo[c]thiophene derivatives","RSC Advances","2021","11","31","18870","18880","10.1039/D1RA01189H","","","0.71073","MoKa","","0.0681","0.0449","","","0.0991","0.1092","","","","","","1.011","","","","has coordinates","265497","2021-05-26","04:24:29",""
"7242923","8.1311","0.0004","11.9456","0.0007","12.1","0.0012","103.82","0.007","109.146","0.006","93.699","0.004","1064.98","0.15","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H46 F2 N4 O4 S8 -","- C32 H45.9988 F2 N4 O4 S8 -","- C32 H45.9988 F2 N4 O4 S8 -","1","0.5","","Akhmadiev, Nail S.; Mescheryakova, Ekaterina S.; Akhmetova, Vnira R.; Ibragimov, Askhat G.","Metal-free multicomponent synthesis of novel macrocyclic tetrathiadienes with cyano and amino groups","RSC Advances","2021","11","31","18768","18775","10.1039/D1RA02616J","","x-ray","0.71073","MoKα","","0.0815","0.0477","","","0.1315","0.1572","","","","","","0.877","","","","has coordinates,has disorder","265534","2021-05-27","04:33:15",""
"7242924","6.9541","0.0007","7.3664","0.0005","9.1492","0.001","107.194","0.008","99.036","0.009","102.848","0.008","423.86","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H5 F N2 -","- C10 H5 F N2 -","- C20 H10 F2 N4 -","2","1","","Akhmadiev, Nail S.; Mescheryakova, Ekaterina S.; Akhmetova, Vnira R.; Ibragimov, Askhat G.","Metal-free multicomponent synthesis of novel macrocyclic tetrathiadienes with cyano and amino groups","RSC Advances","2021","11","31","18768","18775","10.1039/D1RA02616J","","","0.71073","MoKα","","0.0605","0.046","","","0.119","0.1335","","","","","","1.049","","","","has coordinates","265534","2021-05-27","04:33:15",""
"7242925","18.6","0.002","9.7722","0.001","28.091","0.006","90","","90","","90","","5105.9","1.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H58 Cl2 N4 O6 S10 -","- C36 H57.9988 Cl2 N4 O6 S9.9998 -","- C144 H231.995 Cl8 N16 O24 S39.9992 -","4","0.5","","Akhmadiev, Nail S.; Mescheryakova, Ekaterina S.; Akhmetova, Vnira R.; Ibragimov, Askhat G.","Metal-free multicomponent synthesis of novel macrocyclic tetrathiadienes with cyano and amino groups","RSC Advances","2021","11","31","18768","18775","10.1039/D1RA02616J","","x-ray","0.71073","MoKα","","0.2347","0.0998","","","0.2187","0.2941","","","","","","0.901","","","","has coordinates,has disorder","265534","2021-05-27","04:33:16",""
"7242946","15.3849","0.0012","5.8934","0.0004","22.187","0.002","90","","110.051","0.004","90","","1889.7","0.3","299.59","","299.59","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H18 F3 N3 -","- C22 H18 F3 N3 -","- C88 H72 F12 N12 -","4","2","","Laurent, Mazarine; Bostyn, Stéphane; Marchivie, Mathieu; Robin, Yves; Routier, Sylvain; Buron, Frédéric","Aminations and arylations by direct C‒O activation for the design of 7,8-dihydro-6H-5,8-ethanopyrido[3,2-d]pyrimidines","RSC Advances","2021","11","32","19363","19377","10.1039/D1RA03092B","","","0.71073","MoKα","","0.082","0.0543","","","0.1351","0.1503","","","","","","1.043","","","","has coordinates,has disorder","265607","2021-05-29","04:23:52",""
"7242947","12.3091","0.0008","14.2045","0.0009","16.5877","0.0011","90","","101.973","0.001","90","","2837.2","0.3","293","2","293.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 N4 -","- C30 H22 N4 -","- C120 H88 N16 -","4","1","","Yin, Haiting; Ma, Qin; Wang, Yushan; Gu, Xiaoxia; Feng, Zhijun; Wu, Yunjun; Wang, Ming; Wang, Shaoyin","Synthesis of tetrahydro-β-carbolines from 2-indolylmethyl azides and propargylic alcohols","RSC Advances","2021","11","32","19639","19646","10.1039/D1RA03022A","","","0.71073","MoKα","","0.0662","0.0479","","","0.1336","0.1444","","","","","","1.108","","","","has coordinates","265663","2021-06-02","04:28:30",""
"7242948","14.5637","0.0013","10.7601","0.001","16.2434","0.0015","90","","98.077","0.001","90","","2520.2","0.4","293","2","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 N2 -","- C30 H22 N2 -","- C120 H88 N8 -","4","1","","Yin, Haiting; Ma, Qin; Wang, Yushan; Gu, Xiaoxia; Feng, Zhijun; Wu, Yunjun; Wang, Ming; Wang, Shaoyin","Synthesis of tetrahydro-β-carbolines from 2-indolylmethyl azides and propargylic alcohols","RSC Advances","2021","11","32","19639","19646","10.1039/D1RA03022A","","","0.71073","MoKα","","0.0779","0.0459","","","0.1138","0.1252","","","","","","1.004","","","","has coordinates","265663","2021-06-02","04:28:31",""
"7242962","19.277","0.004","9.64","0.002","8.8871","0.0018","90","","81.711","0.007","90","","1634.2","0.6","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","TL7B","","- C16 H18 N2 O2 S -","- C16 H18 N2 O2 S -","- C64 H72 N8 O8 S4 -","4","1","","Wang, Pengfei; Meng, Fanda; Su, Hao; Liu, Lijie; Khan, Maroof Ahmad; Li, Hui","A highly selective “turn-on” water-soluble fluorescent sensor for gallium ion detection","RSC Advances","2021","11","32","19747","19754","10.1039/D1RA02582A","","","0.71073","MoKα","","0.0824","0.0567","","","0.1576","0.1782","","","","","","1.038","","","","has coordinates","265775","2021-06-04","04:16:52",""
"7242963","10.3946","0.0004","7.1672","0.0003","22.2958","0.0008","90","","94.2819","0.0011","90","","1656.4","0.11","240","2","240","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N2 O5 Re -","- C15 H19 N2 O5 Re -","- C60 H76 N8 O20 Re4 -","4","1","","Maryunina, Kseniya; Letyagin, Gleb; Bogomyakov, Artem; Morozov, Vitaly; Tumanov, Sergey; Veber, Sergey; Fedin, Matvey; Saverina, Evgeniya; Syroeshkin, Mikhail; Egorov, Mikhail; Romanenko, Galina; Ovcharenko, Victor","Re(i)-nitroxide complexes","RSC Advances","2021","11","32","19902","19907","10.1039/D1RA02159A","","","1.54178","CuKα","","0.0278","0.0274","","","0.0672","0.0675","","","","","","1.249","","","","has coordinates","265776","2021-06-04","04:17:57",""
"7242964","10.382","0.004","10.503","0.004","16.36","0.006","80.32","0.03","80.44","0.03","74.62","0.02","1681.6","1.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 N2 O5 Re -","- C15 H16 N2 O5 Re -","- C60 H64 N8 O20 Re4 -","4","2","","Maryunina, Kseniya; Letyagin, Gleb; Bogomyakov, Artem; Morozov, Vitaly; Tumanov, Sergey; Veber, Sergey; Fedin, Matvey; Saverina, Evgeniya; Syroeshkin, Mikhail; Egorov, Mikhail; Romanenko, Galina; Ovcharenko, Victor","Re(i)-nitroxide complexes","RSC Advances","2021","11","32","19902","19907","10.1039/D1RA02159A","","","0.71073","MoKα","","0.1561","0.0838","","","0.1849","0.2349","","","","","","0.839","","","","has coordinates","265776","2021-06-04","04:18:07",""
"7242965","17.0007","0.0003","10.2467","0.0002","20.5719","0.0004","90","","110.439","0.001","90","","3358.04","0.11","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N2 O5 Re -","- C15 H16 N2 O5 Re -","- C120 H128 N16 O40 Re8 -","8","2","","Maryunina, Kseniya; Letyagin, Gleb; Bogomyakov, Artem; Morozov, Vitaly; Tumanov, Sergey; Veber, Sergey; Fedin, Matvey; Saverina, Evgeniya; Syroeshkin, Mikhail; Egorov, Mikhail; Romanenko, Galina; Ovcharenko, Victor","Re(i)-nitroxide complexes","RSC Advances","2021","11","32","19902","19907","10.1039/D1RA02159A","","","0.71073","MoKα","","0.0945","0.0492","","","0.111","0.135","","","","","","0.768","","","","has coordinates","265776","2021-06-04","04:18:09",""
"7242966","11.8875","0.0004","10.0482","0.0003","14.1283","0.0004","90","","92.488","0.002","90","","1686.01","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O5 Re -","- C14.5 H14.5 N2 O5 Re -","- C58 H58 N8 O20 Re4 -","4","1","","Maryunina, Kseniya; Letyagin, Gleb; Bogomyakov, Artem; Morozov, Vitaly; Tumanov, Sergey; Veber, Sergey; Fedin, Matvey; Saverina, Evgeniya; Syroeshkin, Mikhail; Egorov, Mikhail; Romanenko, Galina; Ovcharenko, Victor","Re(i)-nitroxide complexes","RSC Advances","2021","11","32","19902","19907","10.1039/D1RA02159A","","","0.71073","MoKα","","0.1072","0.0474","","","0.0987","0.1099","","","","","","1.03","","","","has coordinates","265776","2021-06-04","04:18:18",""
"7242967","6.852","0.0003","24.5256","0.0009","10.3668","0.0004","90","","108.523","0.0017","90","","1651.89","0.12","240","2","240","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O4 Re -","- C15 H16 N2 O4 Re -","- C60 H64 N8 O16 Re4 -","4","1","","Maryunina, Kseniya; Letyagin, Gleb; Bogomyakov, Artem; Morozov, Vitaly; Tumanov, Sergey; Veber, Sergey; Fedin, Matvey; Saverina, Evgeniya; Syroeshkin, Mikhail; Egorov, Mikhail; Romanenko, Galina; Ovcharenko, Victor","Re(i)-nitroxide complexes","RSC Advances","2021","11","32","19902","19907","10.1039/D1RA02159A","","","1.54178","CuKα","","0.0363","0.0343","","","0.0969","0.099","","","","","","1.041","","","","has coordinates,has disorder","265776","2021-06-04","04:18:18",""
"7242968","12.0638","0.0014","8.9307","0.0009","12.9341","0.0014","90","","108.465","0.012","90","","1321.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-(2-Hydroxybenzyl) chroman-4-one","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","","Abdul Salam, Abdul Ajees; T., Shilpa; Kumar S., Madan; Bankapur, Aseefhali; Sinha, Rajeev K.; Simon, Lalitha; Chidangil, Santhosh","Effect of OH substitution in 3-benzylchroman-4-ones: crystallographic, CSD, DFT, FTIR, Hirshfeld surface, and energy framework analysis","RSC Advances","2021","11","33","20123","20136","10.1039/D1RA02245H","","","0.71073","MoKα","","0.1217","0.0647","","","0.1302","0.1632","","","","","","1.029","","","","has coordinates","265822","2021-06-05","04:41:43",""
"7242969","7.385","0.007","27.33","0.03","8.364","0.008","90","","115.63","0.011","90","","1522","3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-(2,4-Dimethoxybenzyl) chroman-4-one","3-(2,4-Dimethoxybenzyl) chroman-4-one","","- C18 H18 O4 -","- C18 H18 O4 -","- C72 H72 O16 -","4","1","","Abdul Salam, Abdul Ajees; T., Shilpa; Kumar S., Madan; Bankapur, Aseefhali; Sinha, Rajeev K.; Simon, Lalitha; Chidangil, Santhosh","Effect of OH substitution in 3-benzylchroman-4-ones: crystallographic, CSD, DFT, FTIR, Hirshfeld surface, and energy framework analysis","RSC Advances","2021","11","33","20123","20136","10.1039/D1RA02245H","","","0.71075","MoKα","","0.1171","0.0533","","","0.109","0.1405","","","","","","0.925","","","","has coordinates","265822","2021-06-05","04:41:43",""
"7242970","10.5537","0.001","11.0474","0.0011","13.2402","0.0013","114.381","0.003","99","0.003","101.915","0.003","1324.2","0.2","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H23 N O6 S -","- C32 H23 N O6 S -","- C64 H46 N2 O12 S2 -","2","1","","Lin, Huawei; Yang, Huimin; Gong, Qi; Luo, Shan; Gu, Jing; Cao, Xiaoqun; Mao, Biming; Ge, Yanqing; Yuan, Chunhao","Construction of cyclopentane-fused coumarins via DBU-catalyzed [3+2] cycloaddition of 3-homoacyl coumarins with cyclic 1-azadienes","RSC Advances","2021","11","33","20118","20122","10.1039/D1RA03387E","","","1.34139","GaKα","","0.0793","0.0758","","","0.2104","0.2158","","","","","","1.039","","","","has coordinates","265823","2021-06-05","04:42:14",""
"7243036","24.4486","0.0003","24.4486","0.0003","29.1012","0.0008","90","","90","","120","","15064.3","0.5","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C28 H35 Cl2 Cu N4 O11 -","- C28 H35 Cl2 Cu N4 O11 -","- C504 H630 Cl36 Cu18 N72 O198 -","18","1","","Crespi, Ayelén F.; Sánchez, Verónica M.; Vega, Daniel; Pérez, Ana L.; Brondino, Carlos D.; Linck, Yamila Garro; Hodgkinson, Paul; Rodríguez-Castellón, Enrique; Lázaro-Martínez, Juan M.","Paramagnetic solid-state NMR assignment and novel chemical conversion of the aldehyde group to dihydrogen ortho ester and hemiacetal moieties in copper(ii)- and cobalt(ii)-pyridinecarboxaldehyde complexes","RSC Advances","2021","11","33","20216","20231","10.1039/D1RA02512K","","","0.71073","MoKα","","0.1076","0.0859","","","0.245","0.2739","","","","","","1.052","","","","has coordinates,has disorder","266346","2021-06-10","04:38:29",""
"7243037","7.7191","0.0015","36.122","0.007","8.4932","0.0017","90","","92.41","0.03","90","","2366.1","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Cl2 Co N4 O4 -","- C24 H20 Cl2 Co N4 O4 -","- C96 H80 Cl8 Co4 N16 O16 -","4","1","","Crespi, Ayelén F.; Sánchez, Verónica M.; Vega, Daniel; Pérez, Ana L.; Brondino, Carlos D.; Linck, Yamila Garro; Hodgkinson, Paul; Rodríguez-Castellón, Enrique; Lázaro-Martínez, Juan M.","Paramagnetic solid-state NMR assignment and novel chemical conversion of the aldehyde group to dihydrogen ortho ester and hemiacetal moieties in copper(ii)- and cobalt(ii)-pyridinecarboxaldehyde complexes","RSC Advances","2021","11","33","20216","20231","10.1039/D1RA02512K","","","0.71073","MoKα","","0.1276","0.065","","","0.1151","0.1303","","","","","","1.106","","","","has coordinates","266346","2021-06-10","04:38:31",""
"7243038","24.0755","0.0008","24.0755","0.0008","29.5779","0.001","90","","90","","120","","14847.3","0.9","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C252 H324 Cl18 Co9 N36 O98.25 -","- C252 H324 Cl18 Co9 N36 O98.25 -","- C504 H648 Cl36 Co18 N72 O196.5 -","2","0.111111","","Crespi, Ayelén F.; Sánchez, Verónica M.; Vega, Daniel; Pérez, Ana L.; Brondino, Carlos D.; Linck, Yamila Garro; Hodgkinson, Paul; Rodríguez-Castellón, Enrique; Lázaro-Martínez, Juan M.","Paramagnetic solid-state NMR assignment and novel chemical conversion of the aldehyde group to dihydrogen ortho ester and hemiacetal moieties in copper(ii)- and cobalt(ii)-pyridinecarboxaldehyde complexes","RSC Advances","2021","11","33","20216","20231","10.1039/D1RA02512K","","","0.71073","MoKα","","0.1291","0.1016","","","0.2669","0.3032","","","","","","1.052","","","","has coordinates","266346","2021-06-10","04:38:31",""
"7243054","8.30793","0.00016","15.8271","0.0003","25.9265","0.0007","90","","92.478","0.002","90","","3405.9","0.13","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 Br2 N4 O2 -","- C36 H38 Br2 N4 O2 -","- C144 H152 Br8 N16 O8 -","4","1","","Xu, Zixuan; Su, Linhan; Chen, Xiaofen; Yang, Ying","A novel ionic AIE smart responsive material with multiple structural transformations","RSC Advances","2021","11","34","20911","20915","10.1039/D1RA03090F","","","1.54184","CuKα","","0.0785","0.0724","","","0.1754","0.1781","","","","","","1.19","","","","has coordinates","266463","2021-06-15","04:26:01",""
"7243055","16.7684","0.0002","7.5872","0.0001","12.5827","0.0002","90","","93.71","0.001","90","","1597.48","0.04","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","cyclic diester","2c","","- C15 H24 O5 -","- C15 H24 O5 -","- C60 H96 O20 -","4","1","","Saget, Raphaël; Jaunky, Piotr; Duñach, Elisabet","Bi(OTf)3-catalysed intramolecular cyclisation of unsaturated acetals","RSC Advances","2021","11","34","21066","21072","10.1039/D1RA03686F","","x-ray","1.54184","CuKα","","0.0557","0.052","","","0.1507","0.1562","","","","","","1.076","","","","has coordinates","266464","2021-06-15","04:26:23",""
"7243066","7.7979","0.0002","36.7369","0.0006","14.1416","0.0002","90","","90","","90","","4051.15","0.14","100.7","0.7","100.7","0.7","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Si2 -","- C24 H22 Si2 -","- C192 H176 Si16 -","8","2","","Kumar, Vipin B.; Fleming, Cassandra L.; Murali, Sai Shruthi; Hume, Paul A.; Davis, Nathaniel J. L. K.; Söhnel, Tilo; Leitao, Erin M.","The photophysical properties of naphthalene bridged disilanes","RSC Advances","2021","11","35","21343","21350","10.1039/D1RA02961D","","x-ray","1.54184","CuKα","","0.0414","0.0341","","","0.0795","0.0824","","","","","","1.032","","","","has coordinates","266524","2021-06-17","04:40:06",""
"7243067","9.2512","0.0002","18.1877","0.0006","12.5609","0.0003","90","","104.094","0.002","90","","2049.85","0.1","174","30","174","30","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Si2 -","- C24 H24 Si2 -","- C96 H96 Si8 -","4","1","","Kumar, Vipin B.; Fleming, Cassandra L.; Murali, Sai Shruthi; Hume, Paul A.; Davis, Nathaniel J. L. K.; Söhnel, Tilo; Leitao, Erin M.","The photophysical properties of naphthalene bridged disilanes","RSC Advances","2021","11","35","21343","21350","10.1039/D1RA02961D","","x-ray","1.54184","CuKα","","0.0521","0.0422","","","0.1035","0.1138","","","","","","1.103","","","","has coordinates","266524","2021-06-17","04:40:07",""
"7243080","10.8226","0.0009","13.7338","0.0008","9.9166","0.0009","90","","106.482","0.009","90","","1413.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Tetrahydrofuran-2,3,4,5-tetracarboxylic acid + 2-aminopyrimidine","Tetrahydrofuran-2,3,4,5-tetracarboxylic acid + 2-aminopyrimidine","","- C12 H13 N3 O9 -","- C12 H13 N3 O9 -","- C48 H52 N12 O36 -","4","1","","Garg, Utsav; Azim, Yasser; Alam, Mahboob","In acid-aminopyrimidine continuum: experimental and computational studies of furan tetracarboxylate-2-aminopyrimidinium salt","RSC Advances","2021","11","35","21463","21474","10.1039/D1RA01714D","","","1.54184","CuKα","","0.0592","0.0445","","","0.1091","0.123","","","","","","1.087","","","","has coordinates","266554","2021-06-18","04:14:26",""
"7243081","17.8183","0.0011","23.7713","0.0015","9.3271","0.0006","90","","90","","90","","3950.6","0.4","273","2","273","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","MPMB1","","","- C33 H50 Cl4 Fe2 N8 O3 -","- C34 H56 Cl4 Fe2 N8 O5 -","- C136 H224 Cl16 Fe8 N32 O20 -","4","0.5","","Balamurugan, Mani; Suresh, Eringathodi; Palaniandavar, Mallayan","μ-Oxo-bridged diiron(iii) complexes of tripodal 4N ligands as catalysts for alkane hydroxylation reaction using m-CPBA as an oxidant: substrate vs. self hydroxylation","RSC Advances","2021","11","35","21514","21526","10.1039/D1RA03135J","","","0.71073","MoKα","","0.0824","0.0752","","","0.1997","0.2071","","","","","","1.115","","","","has coordinates","266555","2021-06-18","04:15:10",""
"7243082","17.8072","0.0005","15.7838","0.0005","17.8744","0.0005","90","","116.311","0.001","90","","4503.4","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","MPMB5","","","- C28 H63 Cl4 Fe2 N12 O -","- C28 H56 Cl4 Fe2 N12 O6 -","- C112 H224 Cl16 Fe8 N48 O24 -","4","1","","Balamurugan, Mani; Suresh, Eringathodi; Palaniandavar, Mallayan","μ-Oxo-bridged diiron(iii) complexes of tripodal 4N ligands as catalysts for alkane hydroxylation reaction using m-CPBA as an oxidant: substrate vs. self hydroxylation","RSC Advances","2021","11","35","21514","21526","10.1039/D1RA03135J","","","0.71073","MoKα","","0.1379","0.1073","","","0.3411","0.3744","","","","","","1.467","","","","has coordinates","266555","2021-06-18","04:15:10",""
"7243083","6.0837","0.0005","15.6412","0.0017","13.3288","0.0013","90","","98.927","0.006","90","","1253","0.2","296.15","","296.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H20 Ge N2 O4 -","- C32 H20 Ge N2 O4 -","- C64 H40 Ge2 N4 O8 -","2","1","","Shangin, Pavel G.; Krylova, Irina V.; Lalov, Andrey V.; Kozmenkova, Anna Y.; Saverina, Evgeniya A.; Buikin, Petr A.; Korlyukov, Alexander A.; Starikova, Alyona A.; Nikolaevskaya, Elena N.; Egorov, Mikhail P.; Syroeshkin, Mikhail A.","Supramolecular D⋯A-layered structures based on germanium complexes with 2,3-dihydroxynaphthalene and N,N′-bidentate ligands","RSC Advances","2021","11","35","21527","21536","10.1039/D1RA02691G","","","0.71073","MoKα","","0.0898","0.0786","","","0.1812","0.187","","","","","","1.078","","","","has coordinates","266556","2021-06-18","04:15:43",""
"7243092","7.4642","0.0001","11.1508","0.0002","11.6693","0.0002","92.468","0.001","98.297","0.001","99.779","0.001","944.85","0.03","293","14","293","14","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 N3 O2 S2 -","- C21 H17 N3 O2 S2 -","- C42 H34 N6 O4 S4 -","2","1","","Cao, Xian-Ting; Wei, Su-Ning; Sun, Hao-Tian; Li, Meng; Zheng, Zuo-Ling; Wang, Guannan","Iridium-catalyzed regioselective C‒H sulfonamidation of 1,2,4-thiadiazoles with sulfonyl azides in water","RSC Advances","2021","11","36","22000","22004","10.1039/D1RA04450H","","x-ray","1.54184","CuKα","","0.052","0.0464","","","0.1285","0.133","","","","","","1.037","","","","has coordinates","266632","2021-06-23","04:04:32",""
"7243106","7.2917","0.0001","10.6849","0.0001","17.7929","0.0002","90","","90","","90","","1386.26","0.03","150.5","0.7","150.5","0.7","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Nickel bisdimetylaminopropanoto","","- C12 H28 N2 Ni O2 -","- C12 H28 N2 Ni O2 -","- C48 H112 N8 Ni4 O8 -","4","0.5","","Wilson, Rachel L.; Macdonald, Thomas J.; Lin, Chieh-Ting; Xu, Shengda; Taylor, Alaric; Knapp, Caroline E.; Guldin, Stefan; McLachlan, Martyn A.; Carmalt, Claire J.; Blackman, Chris S.","Chemical vapour deposition (CVD) of nickel oxide using the novel nickel dialkylaminoalkoxide precursor [Ni(dmamp′)2] (dmamp′ = 2-dimethylamino-2-methyl-1-propanolate)","RSC Advances","2021","11","36","22199","22205","10.1039/D1RA03263A","","x-ray","1.54184","CuKα","","0.0224","0.0209","","","0.0566","0.0582","","","","","","1.094","","","","has coordinates","266662","2021-06-24","04:13:10",""
"7243107","12.2116","0.0014","14.5632","0.0016","14.5319","0.0017","67.762","0.009","86.941","0.009","84.111","0.009","2379.2","0.5","113","2","113","2","","","","","","","","4","P 1","P 1","1","","","","- C43 H72 N9 O9.5 -","- C43 H72 N9 O9.5 -","- C86 H144 N18 O19 -","2","2","","Köhler, Linda; Hübler, Conrad; Seichter, Wilhelm; Mazik, Monika","Binding modes of methyl α-d-glucopyranoside to an artificial receptor in crystalline complexes","RSC Advances","2021","11","36","22221","22229","10.1039/D1RA03390E","","","0.71073","MoKα","","0.059","0.0536","","","0.1476","0.1553","","","","","","1.068","","","","has coordinates,has disorder","296876","2024-12-16","17:34:44",""
"7243108","8.3552","0.0009","8.5782","0.0011","6.6959","0.0007","90","","90","","90","","479.91","0.09","300","2","300","2","","","","","","","","5","P m m n :2","-P 2ab 2a","59","","(2,,6-dimethylpyrazine)CuBr2","","- C6 H8 Br2 Cu N2 -","- C6 H8 Br2 Cu N2 -","- C12 H16 Br4 Cu2 N4 -","2","0.25","","Ding, Fei; Yang, Chuanlu; Gong, Xiangnan; Zheng, Hui; Zhou, Xiaoyu; Li, Lingli; Zhang, Lichun; Wang, Dehua; Pan, Bingying","Structure, phase transition and properties of the one-dimensional antiferromagnet Cu(2,6-dimethylpyrazine)Br2","RSC Advances","2021","11","37","22565","22570","10.1039/D1RA02318G","","","0.71073","MoKα","","0.0992","0.0395","","","0.0795","0.1028","","","","","","1.023","","","","has coordinates","266713","2021-06-26","05:04:04",""
"7243109","10.2576","0.0005","8.3613","0.0005","11.2178","0.0005","90","","102.982","0.002","90","","937.52","0.08","240","2","240","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 Br2 Cu N2 -","- C6 H8 Br2 Cu N2 -","- C24 H32 Br8 Cu4 N8 -","4","1","","Ding, Fei; Yang, Chuanlu; Gong, Xiangnan; Zheng, Hui; Zhou, Xiaoyu; Li, Lingli; Zhang, Lichun; Wang, Dehua; Pan, Bingying","Structure, phase transition and properties of the one-dimensional antiferromagnet Cu(2,6-dimethylpyrazine)Br2","RSC Advances","2021","11","37","22565","22570","10.1039/D1RA02318G","","","0.71073","MoKα","","0.1208","0.0551","","","0.134","0.1689","","","","","","1.051","","","","has coordinates","266713","2021-06-26","05:04:05",""
"7243118","8.5547","0.0003","9.8407","0.0004","10.2731","0.0004","113.733","0.001","99.453","0.002","92.307","0.002","775.51","0.05","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 Cu2 N4 O8 -","- C32 H36 Cu2 N4 O8 -","- C32 H36 Cu2 N4 O8 -","1","0.5","","Mukherjee, Debojyoti; Nag, Probal; Shteinman, Albert A.; Vennapusa, Sivaranjana Reddy; Mandal, Ujjwal; Mitra, Mainak","Catechol oxidation promoted by bridging phenoxo moieties in a bis(μ-phenoxo)-bridged dicopper(ii) complex","RSC Advances","2021","11","37","22951","22959","10.1039/D1RA02787E","","","0.71073","MoKα","","0.0259","0.0251","","","0.0655","0.0661","","","","","","1.045","","","","has coordinates","266800","2021-06-30","04:23:25",""
"7243120","16.831","0.002","23.697","0.005","14.715","0.003","90","","92.577","0.008","90","","5863.1","1.9","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60 H53 Cl N4 Ni4 O12 -","- C60 H53 Cl N4 Ni4 O12 -","- C240 H212 Cl4 N16 Ni16 O48 -","4","1","","Kushvaha, Saroj Kumar; Francis, Maria; Kumar, Jayasree; Nag, Ekta; Ravichandran, Prathap; Roy, Sudipta; Chandra Mondal, Kartik","Synthesis, oligomerization and catalytic studies of a redox-active Ni4-cubane: a detailed mechanistic investigation","RSC Advances","2021","11","37","22849","22858","10.1039/D1RA03071J","","","0.71073","MoKα","","0.1593","0.063","","","0.1295","0.1622","","","","","","0.932","","","","has coordinates","266839","2021-07-01","04:22:25",""
"7243121","11.421","0.003","15.783","0.004","7.4458","0.0016","90","","93.411","0.006","90","","1339.8","0.6","297.49","","297.49","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C64 H64 O8 -","4","1","","Kushvaha, Saroj Kumar; Francis, Maria; Kumar, Jayasree; Nag, Ekta; Ravichandran, Prathap; Roy, Sudipta; Chandra Mondal, Kartik","Synthesis, oligomerization and catalytic studies of a redox-active Ni4-cubane: a detailed mechanistic investigation","RSC Advances","2021","11","37","22849","22858","10.1039/D1RA03071J","","","0.71073","MoKα","","0.1139","0.0807","","","0.1796","0.2098","","","","","","1.186","","","","has coordinates","266839","2021-07-01","04:22:26",""
"7243122","14.07","0.007","14.216","0.008","19.039","0.011","76.64","0.03","68.85","0.02","63.449","0.018","3166","3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H65 Cl2 N5 Ni4 O14 -","- C64 H61 Cl2 N5 Ni4 O14 -","- C128 H122 Cl4 N10 Ni8 O28 -","2","1","","Kushvaha, Saroj Kumar; Francis, Maria; Kumar, Jayasree; Nag, Ekta; Ravichandran, Prathap; Roy, Sudipta; Chandra Mondal, Kartik","Synthesis, oligomerization and catalytic studies of a redox-active Ni4-cubane: a detailed mechanistic investigation","RSC Advances","2021","11","37","22849","22858","10.1039/D1RA03071J","","","0.71073","MoKα","","0.0908","0.0536","","","0.1324","0.151","","","","","","1.04","","","","has coordinates","266839","2021-07-01","04:22:26",""
"7243123","9.2258","0.0011","15.495","0.002","15.6334","0.0016","90","","90","","90","","2234.9","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O5 -","- C24 H27 N O5 -","- C96 H108 N4 O20 -","4","1","","Kushvaha, Saroj Kumar; Francis, Maria; Kumar, Jayasree; Nag, Ekta; Ravichandran, Prathap; Roy, Sudipta; Chandra Mondal, Kartik","Synthesis, oligomerization and catalytic studies of a redox-active Ni4-cubane: a detailed mechanistic investigation","RSC Advances","2021","11","37","22849","22858","10.1039/D1RA03071J","","","0.71073","MoKα","","0.0492","0.04","","","0.0981","0.1043","","","","","","1.03","","","","has coordinates","266839","2021-07-01","04:22:27",""
"7243141","5.3383","0.0004","9.0913","0.0006","15.5717","0.001","90","","95.648","0.006","90","","752.06","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cu N8 -","- C16 H14 Cu N8 -","- C32 H28 Cu2 N16 -","2","0.5","","Petrenko, Yuliia P.; Piasta, Karolina; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Shova, Sergiu; Novitchi, Ghénadie; Toporivska, Yuliya; Gumienna-Kontecka, Elzbieta; Martins, Luísa M. D. R. S.; Lampeka, Rostyslav D.","An investigation of two copper(ii) complexes with a triazole derivative as a ligand: magnetic and catalytic properties","RSC Advances","2021","11","38","23442","23449","10.1039/D1RA03107D","","x-ray","0.71073","MoKα","","0.0607","0.0421","","","0.0964","0.1065","","","","","","1.041","","","","has coordinates","266933","2021-07-03","04:19:28",""
"7243142","22.4328","0.0006","7.23016","0.00016","15.4337","0.0004","90","","107.996","0.003","90","","2380.77","0.11","180","0.1","180","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 Cu2 N8 O6 -","- C20 H24 Cu2 N8 O6 -","- C80 H96 Cu8 N32 O24 -","4","0.5","","Petrenko, Yuliia P.; Piasta, Karolina; Khomenko, Dmytro M.; Doroshchuk, Roman O.; Shova, Sergiu; Novitchi, Ghénadie; Toporivska, Yuliya; Gumienna-Kontecka, Elzbieta; Martins, Luísa M. D. R. S.; Lampeka, Rostyslav D.","An investigation of two copper(ii) complexes with a triazole derivative as a ligand: magnetic and catalytic properties","RSC Advances","2021","11","38","23442","23449","10.1039/D1RA03107D","","x-ray","0.71073","MoKα","","0.0369","0.0312","","","0.0724","0.0754","","","","","","1.055","","","","has coordinates","266933","2021-07-03","04:19:29",""
"7243159","6.2831","0.001","6.0046","0.001","13.003","0.002","90","","91.56","0.003","90","","490.39","0.14","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C4 H N9 O6 -","- C4 H N9 O6 -","- C8 H2 N18 O12 -","2","1","","Gulyaev, Dmitry A.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yurii A.; Fedyanin, Ivan V.; Lempert, David B.; Kosareva, Ekaterina K.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Tartakovsky, Vladimir A.","[(3-Nitro-1H-1,2,4-triazol-1-yl)-NNO-azoxy]furazans: energetic materials containing an N(O)N‒N fragment","RSC Advances","2021","11","39","24013","24021","10.1039/D1RA03919A","","","0.71073","MoKα","","0.0788","0.0511","","","0.1071","0.1175","","","","","","0.987","","","","has coordinates","267364","2021-07-08","04:36:33",""
"7243160","4.8786","0.0008","7.9416","0.0013","22.587","0.004","90","","90","","90","","875.1","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C4 H3 N9 O4 -","- C4 H3 N9 O4 -","- C16 H12 N36 O16 -","4","1","","Gulyaev, Dmitry A.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yurii A.; Fedyanin, Ivan V.; Lempert, David B.; Kosareva, Ekaterina K.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Tartakovsky, Vladimir A.","[(3-Nitro-1H-1,2,4-triazol-1-yl)-NNO-azoxy]furazans: energetic materials containing an N(O)N‒N fragment","RSC Advances","2021","11","39","24013","24021","10.1039/D1RA03919A","","","0.71073","MoKα","","0.0617","0.0415","","","0.078","0.0875","","","","","","1.029","","","","has coordinates","267364","2021-07-08","04:36:34",""
"7243161","17.283","0.008","7.552","0.002","13.411","0.006","90","","90","","90","","1750.4","1.2","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C8 H2 N18 O8 -","- C8 H2 N18 O8 -","- C32 H8 N72 O32 -","4","0.5","","Gulyaev, Dmitry A.; Klenov, Michael S.; Churakov, Aleksandr M.; Strelenko, Yurii A.; Fedyanin, Ivan V.; Lempert, David B.; Kosareva, Ekaterina K.; Kon'kova, Tatiana S.; Matyushin, Yurii N.; Tartakovsky, Vladimir A.","[(3-Nitro-1H-1,2,4-triazol-1-yl)-NNO-azoxy]furazans: energetic materials containing an N(O)N‒N fragment","RSC Advances","2021","11","39","24013","24021","10.1039/D1RA03919A","","","0.71073","MoKα","","0.0636","0.0393","","","0.0835","0.0942","","","","","","1.022","","","","has coordinates","267364","2021-07-08","04:36:34",""
"7243162","9.764","0.003","11.687","0.003","15.345","0.004","106.065","0.004","91.671","0.004","102.175","0.003","1637.7","0.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H30 N4 O8 Zn -","- C36 H30 N4 O8 Zn -","- C72 H60 N8 O16 Zn2 -","2","1","","Yang, Xue; Ren, Yixia; Chai, Hongmei; Hou, Xiufang; Wang, Zhixiang; Wang, Jijiang","Highly sensitive detection of nitrobenzene by a series of fluorescent 2D zinc(ii) metal‒organic frameworks with a flexible triangular ligand","RSC Advances","2021","11","39","23975","23984","10.1039/D1RA03737D","","","0.71073","MoKα","","0.0966","0.0556","","","0.1229","0.1377","","","","","","0.993","","","","has coordinates","267365","2021-07-08","04:37:42",""
"7243163","15.9212","0.0016","11.5181","0.0011","17.0439","0.0017","90","","105.53","0.0016","90","","3011.4","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 N4 O8 Zn2 -","- C34 H24 N4 O8 Zn2 -","- C136 H96 N16 O32 Zn8 -","4","1","","Yang, Xue; Ren, Yixia; Chai, Hongmei; Hou, Xiufang; Wang, Zhixiang; Wang, Jijiang","Highly sensitive detection of nitrobenzene by a series of fluorescent 2D zinc(ii) metal‒organic frameworks with a flexible triangular ligand","RSC Advances","2021","11","39","23975","23984","10.1039/D1RA03737D","","","0.71073","MoKα","","0.0657","0.038","","","0.0945","0.1062","","","","","","0.975","","","","has coordinates","267365","2021-07-08","04:37:42",""
"7243164","10.203","0.004","11.768","0.005","14.073","0.006","86.764","0.007","80.749","0.006","77.297","0.006","1626.5","1.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H26 N6 O8.5 Zn2 -","- C34 H25 N6 O8.5 Zn2 -","- C68 H50 N12 O17 Zn4 -","2","1","","Yang, Xue; Ren, Yixia; Chai, Hongmei; Hou, Xiufang; Wang, Zhixiang; Wang, Jijiang","Highly sensitive detection of nitrobenzene by a series of fluorescent 2D zinc(ii) metal‒organic frameworks with a flexible triangular ligand","RSC Advances","2021","11","39","23975","23984","10.1039/D1RA03737D","","","0.71073","MoKα","","0.0462","0.0336","","","0.0743","0.0794","","","","","","1.03","","","","has coordinates","267365","2021-07-08","04:37:42",""
"7243165","7.427","0.0003","12.0551","0.0005","13.0522","0.0005","82.543","0.001","86.438","0.001","77.641","0.001","1131.16","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 N2 O7 Zn -","- C26 H18 N2 O7 Zn -","- C52 H36 N4 O14 Zn2 -","2","1","","Yang, Xue; Ren, Yixia; Chai, Hongmei; Hou, Xiufang; Wang, Zhixiang; Wang, Jijiang","Highly sensitive detection of nitrobenzene by a series of fluorescent 2D zinc(ii) metal‒organic frameworks with a flexible triangular ligand","RSC Advances","2021","11","39","23975","23984","10.1039/D1RA03737D","","","0.71073","MoKα","","0.0639","0.044","","","0.1053","0.1147","","","","","","1.021","","","","has coordinates,has disorder","267365","2021-07-08","04:37:42",""
"7243166","7.9376","0.0003","11.4925","0.0004","11.3612","0.0004","90","","90","","90","","1036.4","0.06","100","","100","","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C4 H12 Cl2 Cu O2 S2 -","- C4 H12 Cl2 Cu O2 S2 -","- C16 H48 Cl8 Cu4 O8 S8 -","4","0.5","","Bernabé Vírseda, Ignacio; Siddiqui, Shiraz Ahmed; Prado-Roller, Alexander; Eisterer, Michael; Shiozawa, Hidetsugu","Crystal engineering with copper and melamine","RSC Advances","2021","11","39","23943","23947","10.1039/D1RA02903G","","x-ray","0.71073","MoKα","","0.0223","0.0199","","","0.0486","0.0495","","","","","","1.093","","","","has coordinates","267366","2021-07-08","04:38:31",""
"7243167","10.4677","0.0014","11.58","0.002","14.375","0.003","106.116","0.008","99.25","0.008","102.092","0.008","1591.8","0.5","100","","100","","","","","","","","","7","P -1","-P 1","2","","Di-u-methoxy-bis[chlorido(dimethylsulfoxide-κO) (1,3,5-triazine-2,4,6-triamine-κN1)copper(II)(Cu-Cu)]","","- C6 H15 Cl Cu N6 O2 S -","- C6 H15 Cl Cu N6 O2 S -","- C24 H60 Cl4 Cu4 N24 O8 S4 -","4","2","","Bernabé Vírseda, Ignacio; Siddiqui, Shiraz Ahmed; Prado-Roller, Alexander; Eisterer, Michael; Shiozawa, Hidetsugu","Crystal engineering with copper and melamine","RSC Advances","2021","11","39","23943","23947","10.1039/D1RA02903G","","x-ray","0.71073","MoKα","","0.0617","0.0499","","","0.1299","0.1353","","","","","","1.104","","","","has coordinates,has disorder","267366","2021-07-08","04:38:31",""
"7243168","9.9904","0.0006","6.0482","0.0005","21.616","0.002","90","","101.289","0.008","90","","1280.85","0.18","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C24 H26 N4 O7 Zn -","- C24 H26 N4 O7 Zn -","- C48 H52 N8 O14 Zn2 -","2","0.5","","Alamgir,; Talha, Khalid; Wang, Ying-Jie; Ullah, Raza; Wang, Bin; Wang, Lu; Wu, Wei; Chen, Sha; Xie, Lin-Hua; Li, Jian-Rong","Construction of a mixed ligand MOF as “green catalyst” for the photocatalytic degradation of organic dye in aqueous media","RSC Advances","2021","11","38","23838","23845","10.1039/D1RA02994K","","","1.54178","CuKα","","0.1008","0.0711","","","0.171","0.1948","","","","","","1.055","","","","has coordinates","267367","2021-07-08","04:39:06",""
"7243169","12.573","0.003","14.319","0.003","13.473","0.003","90","","113.15","0.03","90","","2230.3","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 B10 N -","- C21 H25 B10 N -","- C84 H100 B40 N4 -","4","1","","Lee, Seok Ho; Mun, Min Sik; Kim, Mingi; Lee, Ji Hye; Hwang, Hyonseok; Lee, Wonchul; Lee, Kang Mun","Alteration of intramolecular electronic transition via deboronation of carbazole-based o-carboranyl compound and intriguing ‘turn-on’ emissive variation","RSC Advances","2021","11","39","24057","24064","10.1039/D1RA03716A","","","0.71073","MoKα","","0.1892","0.1115","","","0.2019","0.2326","","","","","","1","","","","has coordinates","267368","2021-07-08","04:39:27",""
"7243170","16.8488","0.0008","9.3909","0.0004","6.8017","0.0003","90","","97.788","0.005","90","","1066.28","0.08","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","diaquabis(sarcosinato)cobalt(II)","","- C6 H16 Co N2 O6 -","- C6 H16 Co N2 O6 -","- C24 H64 Co4 N8 O24 -","4","0.5","","Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka","Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state","RSC Advances","2021","11","38","23779","23790","10.1039/D1RA04219J","","","0.71073","MoKα","","0.041","0.0264","","","0.0624","0.078","","","","","","0.964","","","","has coordinates","267369","2021-07-08","04:41:06",""
"7243171","5.4524","0.0002","7.1733","0.0003","8.7708","0.0003","113.139","0.004","91.989","0.003","106.635","0.003","297.99","0.02","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","diaquabis(N-ethylglycine)cobalt(ii)","","- C8 H20 Co N2 O6 -","- C8 H20 Co N2 O6 -","- C8 H20 Co N2 O6 -","1","0.5","","Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka","Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state","RSC Advances","2021","11","38","23779","23790","10.1039/D1RA04219J","","","0.71073","MoKα","","0.0242","0.023","","","0.058","0.0583","","","","","","1.074","","","","has coordinates","267369","2021-07-08","04:41:06",""
"7243172","15.5085","0.0008","14.6844","0.0006","18.0637","0.0009","90","","90","","90","","4113.7","0.3","295","2","295","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(μ-hydroxo)tetrakis(sarcosinato)dicobalt(iii)","","- C12 H30 Co2 N4 O12 -","- C12 H30 Co2 N4 O12 -","- C96 H240 Co16 N32 O96 -","8","1","","Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka","Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state","RSC Advances","2021","11","38","23779","23790","10.1039/D1RA04219J","","","0.71073","MoKα","","0.0697","0.0424","","","0.0814","0.0909","","","","","","1.024","","","","has coordinates","267369","2021-07-08","04:41:06",""
"7243173","11.5413","0.0006","11.2713","0.0005","5.8447","0.0002","90","","93.037","0.004","90","","759.24","0.06","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diaquabis(N-propylglycinato)copper(ii)","","- C10 H24 Cu N2 O6 -","- C10 H24 Cu N2 O6 -","- C20 H48 Cu2 N4 O12 -","2","0.5","","Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka","Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state","RSC Advances","2021","11","38","23779","23790","10.1039/D1RA04219J","","","0.71073","MoKα","","0.0369","0.0298","","","0.0783","0.0835","","","","","","1.068","","","","has coordinates","267369","2021-07-08","04:41:06",""
"7243174","5.4231","0.0003","7.1382","0.0004","8.7608","0.0004","113.806","0.005","91.508","0.004","106.771","0.005","293.11","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","diaquabis(N-ethylglycinato)nickel(ii)","","- C8 H20 N2 Ni O6 -","- C8 H20 N2 Ni O6 -","- C8 H20 N2 Ni O6 -","1","0.5","","Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka","Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state","RSC Advances","2021","11","38","23779","23790","10.1039/D1RA04219J","","","0.71073","MoKα","","0.0179","0.0175","","","0.0428","0.043","","","","","","1.092","","","","has coordinates","267369","2021-07-08","04:41:07",""
"7243175","9.3725","0.0004","7.3714","0.0004","21.2849","0.0007","90","","90.496","0.003","90","","1470.49","0.11","295","2","295","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","diaquabis(N-propylglycinato)copper(ii)","","- C10 H24 Cu N2 O6 -","- C10 H24 Cu N2 O6 -","- C40 H96 Cu4 N8 O24 -","4","0.5","","Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka","Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state","RSC Advances","2021","11","38","23779","23790","10.1039/D1RA04219J","","","0.71073","MoKα","","0.0538","0.0379","","","0.0755","0.0809","","","","","","1.074","","","","has coordinates","267369","2021-07-08","04:41:07",""
"7243176","10.4296","0.0013","7.2609","0.0009","10.0987","0.001","90","","107.734","0.013","90","","728.42","0.16","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","diaquabis(N-propylglycinato)cobalt(ii)","","- C10 H24 Co N2 O6 -","- C10 H24 Co N2 O6 -","- C20 H48 Co2 N4 O12 -","2","0.5","","Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka","Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state","RSC Advances","2021","11","38","23779","23790","10.1039/D1RA04219J","","","0.71073","MoKα","","0.0707","0.0379","","","0.0762","0.0823","","","","","","0.863","","","","has coordinates","267369","2021-07-08","04:41:07",""
"7243177","5.4717","0.0003","7.1941","0.0004","8.8468","0.0004","113.095","0.004","92.008","0.004","106.385","0.005","303.11","0.03","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","diaquabis(N-ethylglycine)cobalt(ii)","","- C8 H20 Co N2 O6 -","- C8 H20 Co N2 O6 -","- C8 H20 Co N2 O6 -","1","0.5","","Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka","Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state","RSC Advances","2021","11","38","23779","23790","10.1039/D1RA04219J","","","1.54184","CuKα","","0.0484","0.0484","","","0.1261","0.1261","","","","","","1.058","","","","has coordinates","267369","2021-07-08","04:41:07",""
"7243178","5.44882","0.00008","7.15455","0.0001","8.83552","0.00011","113.692","0.0012","91.6006","0.0011","106.561","0.0012","298.32","0.008","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","diaquabis(N-ethylglycinato)nickel(ii)","","- C8 H20 N2 Ni O6 -","- C8 H20 N2 Ni O6 -","- C8 H20 N2 Ni O6 -","1","0.5","","Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka","Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state","RSC Advances","2021","11","38","23779","23790","10.1039/D1RA04219J","","","1.54184","CuKα","","0.0223","0.0221","","","0.0597","0.0599","","","","","","1.109","","","","has coordinates","267369","2021-07-08","04:41:07",""
"7243179","10.0467","0.0008","6.3568","0.0005","9.0286","0.0009","90","","114.398","0.01","90","","525.12","0.09","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena-[bis(μ-N-ethylglycinato)copper(ii)]","","- C8 H16 Cu N2 O4 -","- C8 H16 Cu N2 O4 -","- C16 H32 Cu2 N4 O8 -","2","0.5","","Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka","Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state","RSC Advances","2021","11","38","23779","23790","10.1039/D1RA04219J","","","0.71073","MoKα","","0.0329","0.0277","","","0.068","0.0703","","","","","","1.055","","","","has coordinates","267369","2021-07-08","04:41:07",""
"7243180","7.0311","0.001","7.4825","0.0011","10.6021","0.001","78.541","0.01","89.938","0.01","78.408","0.013","535.07","0.12","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","diaquabis(sarcosinato)copper(II)","","- C6 H16 Cu N2 O6 -","- C6 H16 Cu N2 O6 -","- C12 H32 Cu2 N4 O12 -","2","1","","Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka","Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state","RSC Advances","2021","11","38","23779","23790","10.1039/D1RA04219J","","","0.71073","MoKα","","0.0332","0.0292","","","0.0792","0.0825","","","","","","1.086","","","","has coordinates","267369","2021-07-08","04:41:07",""
"7243181","7.9367","0.0001","5.9953","0.0001","9.0214","0.0002","90","","90.522","0.002","90","","429.247","0.013","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","catena-[bis(μ-N-sarcosinato)copper(ii)]","catena-[bis(μ-N-methylglycinato)copper(ii)]","","- C6 H12 Cu N2 O4 -","- C6 H12 Cu N2 O4 -","- C12 H24 Cu2 N4 O8 -","2","0.5","","Vušak, Darko; Smrečki, Neven; Muratović, Senada; Žilić, Dijana; Prugovečki, Biserka; Matković-Čalogović, Dubravka","Structural diversity in the coordination compounds of cobalt, nickel and copper with N-alkylglycinates: crystallographic and ESR study in the solid state","RSC Advances","2021","11","38","23779","23790","10.1039/D1RA04219J","","","1.54184","CuKα","","0.0313","0.0303","","","0.0897","0.0907","","","","","","1.089","","","","has coordinates","267369","2021-07-08","04:41:07",""
"7243190","10.2153","0.0008","14.5679","0.0011","16.0551","0.0012","107.972","0.008","104.609","0.007","106.675","0.008","2019.1","0.4","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 N6 O6 S2 -","- C42 H48 N6 O6 S2 -","- C84 H96 N12 O12 S4 -","2","1","","Takeda, Takashi; Kasahara, Yotaro; Akutagawa, Tomoyuki","Color-tunable arylaminoanthraquinone dyes through hydrogen-bond-assisted charge transfer interaction","RSC Advances","2021","11","39","24217","24231","10.1039/D1RA03985G","","","1.54187","CuKα","","0.1152","0.0657","","","0.1642","0.1858","","","","","","0.919","","","","has coordinates","267454","2021-07-10","04:00:48",""
"7243191","12.883","0.0007","8.8827","0.0004","9.6095","0.0005","90","","110.352","0.008","90","","1031.02","0.1","143","2","143","2","","","","","","","","5","P 1 c 1","P -2yc","7","","[(E)-2-(1-hexyl-1H-1,2,3-triazol-4-yl)-5-(phenyldiazenyl)pyridine]palladium dichloride","","- C19 H22 Cl2 N6 Pd -","- C19 H22 Cl2 N6 Pd -","- C38 H44 Cl4 N12 Pd2 -","2","1","","Kunfi, Attila; Jablonkai, István; Gazdag, Tamás; Mayer, Péter J.; Kalapos, Péter Pál; Németh, Krisztina; Holczbauer, Tamás; London, Gábor","A photoresponsive palladium complex of an azopyridyl-triazole ligand: light-controlled solubility drives catalytic activity in the Suzuki coupling reaction","RSC Advances","2021","11","38","23419","23429","10.1039/D1RA03838A","","","0.71075","MoKα","","0.0184","0.0183","","","0.0374","0.0375","","","","","","1.11","","","","has coordinates","267455","2021-07-10","04:01:20",""
"7243192","5.8998","0.0002","9.3629","0.0003","15.9508","0.0006","73.354","0.005","81.87","0.006","81.835","0.006","830.9","0.06","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","(E)-2-(1-benzyl-1H-1,2,3-triazol-4-yl)-5-(phenyldiazenyl)pyridine","","- C20 H16 N6 -","- C20 H16 N6 -","- C40 H32 N12 -","2","1","","Kunfi, Attila; Jablonkai, István; Gazdag, Tamás; Mayer, Péter J.; Kalapos, Péter Pál; Németh, Krisztina; Holczbauer, Tamás; London, Gábor","A photoresponsive palladium complex of an azopyridyl-triazole ligand: light-controlled solubility drives catalytic activity in the Suzuki coupling reaction","RSC Advances","2021","11","38","23419","23429","10.1039/D1RA03838A","","","1.54187","CuKα","","0.0484","0.0432","","","0.1054","0.1081","","","","","","1.105","","","","has coordinates","267455","2021-07-10","04:01:21",""
"7243197","12.6981","0.0001","15.8799","0.0002","21.2754","0.0002","90","","90","","90","","4290.07","0.08","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H24 Mo N2 O S4 -","- C17 H24 Mo N2 O S4 -","- C136 H192 Mo8 N16 O8 S32 -","8","1","","Dille, Sara A.; Colston, Kyle J.; Ratvasky, Stephen C.; Pu, Jingzhi; Basu, Partha","Interligand communication in a metal mediated LL′CT system ‒ a case study","RSC Advances","2021","11","39","24381","24386","10.1039/D1RA04716G","","","0.71073","MoKα","","0.0887","0.0406","","","0.0827","0.0998","","","","","","1.029","","","","has coordinates,has disorder","267485","2021-07-13","04:34:02",""
"7243203","6.2678","0.0007","13.2735","0.0014","18.564","0.002","90","","90.548","0.004","90","","1544.4","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O7 -","- C17 H14 O7 -","- C68 H56 O28 -","4","1","","Bhaskaran, Rasmi P.; Nayak, Kalinga H.; Babu, Beneesh P.","Synthesis of functionalized benzo[1,3]dioxin-4-ones from salicylic acid and acetylenic esters and their direct amidation","RSC Advances","2021","11","40","24570","24574","10.1039/D1RA05032J","","","0.71073","MoKα","","0.0658","0.0463","","","0.1311","0.1492","","","","","","0.974","","","","has coordinates","267578","2021-07-16","04:29:02",""
"7243204","13.0804","0.0004","18.3767","0.0005","18.76","0.0005","78.745","0.002","79.896","0.002","82.809","0.002","4334.8","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","Ru2-2","","- C93 H59 Cl15 N8 O3 Ru2 -","- C93 H59 Cl15 N8 O3 Ru2 -","- C186 H118 Cl30 N16 O6 Ru4 -","2","1","","Iwanaga, Osamu; Fukuyama, Kazuki; Mori, Shigeki; Song, Jun Tae; Ishihara, Tatsumi; Miyazaki, Takaaki; Ishida, Masatoshi; Furuta, Hiroyuki","Ruthenium(iv) N-confused porphyrin μ-oxo-bridged dimers: acid-responsive molecular rotors","RSC Advances","2021","11","40","24575","24579","10.1039/D1RA05063J","","x-ray","0.71073","MoKα","","0.1172","0.075","","","0.1764","0.1949","","","","","","1.079","","","","has coordinates,has disorder","267579","2021-07-16","04:29:35",""
"7243205","13.0869","0.0003","18.3474","0.0004","18.8229","0.0004","78.272","0.002","79.906","0.002","82.497","0.002","4335.54","0.17","100","","100","","","","","","","","","6","P -1","-P 1","2","","Ru2-3","","- C93 H58 Cl15 N8 O3 Ru2 -","- C93 H58 Cl15 N8 O3 Ru2 -","- C186 H116 Cl30 N16 O6 Ru4 -","2","1","","Iwanaga, Osamu; Fukuyama, Kazuki; Mori, Shigeki; Song, Jun Tae; Ishihara, Tatsumi; Miyazaki, Takaaki; Ishida, Masatoshi; Furuta, Hiroyuki","Ruthenium(iv) N-confused porphyrin μ-oxo-bridged dimers: acid-responsive molecular rotors","RSC Advances","2021","11","40","24575","24579","10.1039/D1RA05063J","","x-ray","0.71073","MoKα","","0.078","0.0557","","","0.1236","0.1318","","","","","","1.038","","","","has coordinates,has disorder","267579","2021-07-16","04:29:36",""
"7243206","24.726","0.008","15.346","0.005","10.498","0.003","90","","99.982","0.01","90","","3923","2","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 N12 O16 Sm -","- C28 H32 N12 O16 Sm -","- C112 H128 N48 O64 Sm4 -","4","0.5","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0594","0.0389","","","0.0895","0.1018","","","","","","1.069","","","","has coordinates,has disorder","267580","2021-07-16","04:34:15",""
"7243207","14.496","0.003","19.771","0.004","9.9597","0.0019","90","","91.561","0.007","90","","2853.4","1","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N2 O9 Sm -","- C28 H27 N2 O9 Sm -","- C112 H108 N8 O36 Sm4 -","4","1","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0409","0.027","","","0.0512","0.0554","","","","","","1.041","","","","has coordinates,has disorder","267580","2021-07-16","04:34:15",""
"7243208","24.6726","0.0009","15.3731","0.0005","10.4434","0.0004","90","","100.17","0.001","90","","3898.9","0.2","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 N12 O16 Tb -","- C28 H32 N12 O16 Tb -","- C112 H128 N48 O64 Tb4 -","4","0.5","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0569","0.044","","","0.1085","0.1233","","","","","","1.072","","","","has coordinates,has disorder","267580","2021-07-16","04:34:15",""
"7243209","24.7339","0.0008","15.3481","0.0006","10.4654","0.0004","90","","100.157","0.001","90","","3910.6","0.2","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 Eu N12 O16 -","- C28 H32 Eu N12 O16 -","- C112 H128 Eu4 N48 O64 -","4","0.5","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.091","0.046","","","0.0985","0.1274","","","","","","1.051","","","","has coordinates,has disorder","267580","2021-07-16","04:34:15",""
"7243210","14.5239","0.0007","19.8515","0.001","9.9728","0.0004","90","","91.725","0.002","90","","2874.1","0.2","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N2 O9 Pr -","- C28 H27 N2 O9 Pr -","- C112 H108 N8 O36 Pr4 -","4","1","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0303","0.0211","","","0.0468","0.05","","","","","","1.034","","","","has coordinates,has disorder","267580","2021-07-16","04:34:16",""
"7243211","24.6473","0.0007","15.3972","0.0005","10.429","0.0003","90","","100.271","0.001","90","","3894.4","0.2","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 Dy N12 O16 -","- C28 H32 Dy N12 O16 -","- C112 H128 Dy4 N48 O64 -","4","0.5","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0435","0.0336","","","0.0799","0.0925","","","","","","1.124","","","","has coordinates,has disorder","267580","2021-07-16","04:34:16",""
"7243212","14.468","0.0005","19.7315","0.0006","9.9544","0.0003","90","","91.568","0.001","90","","2840.67","0.16","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Eu N2 O9 -","- C28 H27 Eu N2 O9 -","- C112 H108 Eu4 N8 O36 -","4","1","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0346","0.0245","","","0.0485","0.0516","","","","","","1.044","","","","has coordinates,has disorder","267580","2021-07-16","04:34:16",""
"7243213","24.6998","0.0008","15.3676","0.0005","10.455","0.0004","90","","100.153","0.001","90","","3906.3","0.2","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 Gd N12 O16 -","- C28 H32 Gd N12 O16 -","- C112 H128 Gd4 N48 O64 -","4","0.5","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0479","0.0337","","","0.0812","0.0939","","","","","","1.115","","","","has coordinates,has disorder","267580","2021-07-16","04:34:16",""
"7243214","14.447","0.0006","19.6992","0.0009","9.9464","0.0003","90","","91.522","0.001","90","","2829.69","0.19","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Gd N2 O9 -","- C28 H27 Gd N2 O9 -","- C112 H108 Gd4 N8 O36 -","4","1","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0392","0.0247","","","0.0442","0.0478","","","","","","1.062","","","","has coordinates,has disorder","267580","2021-07-16","04:34:16",""
"7243215","14.3923","0.0008","19.6216","0.0011","9.8933","0.0005","90","","91.287","0.002","90","","2793.2","0.3","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Er N2 O9 -","- C28 H27 Er N2 O9 -","- C112 H108 Er4 N8 O36 -","4","1","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0492","0.0349","","","0.0768","0.0811","","","","","","1.136","","","","has coordinates,has disorder","267580","2021-07-16","04:34:16",""
"7243216","14.4572","0.0005","19.7227","0.0007","9.944","0.0003","90","","91.468","0.001","90","","2834.45","0.16","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 Dy N2 O9 -","- C28 H27 Dy N2 O9 -","- C112 H108 Dy4 N8 O36 -","4","1","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0328","0.024","","","0.0552","0.0591","","","","","","1.077","","","","has coordinates,has disorder","267580","2021-07-16","04:34:16",""
"7243217","14.5092","0.0004","19.8107","0.0006","9.9678","0.0003","90","","91.713","0.001","90","","2863.84","0.15","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N2 Nd O9 -","- C28 H27 N2 Nd O9 -","- C112 H108 N8 Nd4 O36 -","4","1","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0509","0.0296","","","0.0488","0.0536","","","","","","1.034","","","","has coordinates,has disorder","267580","2021-07-16","04:34:16",""
"7243218","14.434","0.0005","19.7062","0.0007","9.9308","0.0003","90","","91.434","0.001","90","","2823.83","0.16","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H27 N2 O9 Tb -","- C28 H27 N2 O9 Tb -","- C112 H108 N8 O36 Tb4 -","4","1","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0422","0.0262","","","0.0472","0.0515","","","","","","1.047","","","","has coordinates,has disorder","267580","2021-07-16","04:34:16",""
"7243219","11.4293","0.0006","22.5089","0.001","22.7805","0.0011","90","","95.25","0.002","90","","5835.9","0.5","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C63 H45 Dy3 O18 -","- C63 H45 Dy3 O18 -","- C252 H180 Dy12 O72 -","4","1","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0249","0.0189","","","0.039","0.041","","","","","","1.054","","","","has coordinates,has disorder","267580","2021-07-16","04:34:16",""
"7243220","11.2721","0.0003","22.5893","0.0007","23.0294","0.0006","90","","96.111","0.001","90","","5830.6","0.3","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 O6 Yb -","- C21 H15 O6 Yb -","- C252 H180 O72 Yb12 -","12","3","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0458","0.0287","","","0.0495","0.0551","","","","","","1.03","","","","has coordinates,has disorder","267580","2021-07-16","04:34:16",""
"7243221","11.3816","0.0004","22.4859","0.0008","22.8587","0.0007","90","","95.305","0.001","90","","5825.1","0.3","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C63 H45 Er3 O18 -","- C63 H45 Er3 O18 -","- C252 H180 Er12 O72 -","4","1","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0491","0.0279","","","0.0468","0.0517","","","","","","1.038","","","","has coordinates,has disorder","267580","2021-07-16","04:34:17",""
"7243222","11.4419","0.0004","22.5595","0.0007","22.7629","0.0008","90","","95.338","0.001","90","","5850.2","0.3","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C63 H45 O18 Tb3 -","- C63 H45 O18 Tb3 -","- C252 H180 O72 Tb12 -","4","1","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0534","0.0294","","","0.0485","0.0542","","","","","","1.031","","","","has coordinates,has disorder","267580","2021-07-16","04:34:17",""
"7243223","11.3218","0.0008","22.553","0.0015","22.9222","0.0018","90","","95.884","0.003","90","","5822.1","0.7","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C63 H45 O18 Tm3 -","- C63 H45 O18 Tm3 -","- C252 H180 O72 Tm12 -","4","1","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.05","0.0288","","","0.0467","0.0536","","","","","","1.04","","","","has coordinates,has disorder","267580","2021-07-16","04:34:17",""
"7243224","11.2439","0.0014","22.591","0.002","23.111","0.003","90","","96.311","0.005","90","","5834.9","1.2","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C63 H45 Lu3 O18 -","- C63 H45 Lu3 O18 -","- C252 H180 Lu12 O72 -","4","1","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.037","0.0256","","","0.0504","0.0572","","","","","","1.124","","","","has coordinates,has disorder","267580","2021-07-16","04:34:17",""
"7243225","11.4654","0.0004","22.6148","0.0008","22.7507","0.0008","90","","95.35","0.002","90","","5873.3","0.4","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C63 H45 Eu3 O18 -","- C63 H45 Eu3 O18 -","- C252 H180 Eu12 O72 -","4","1","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0492","0.0297","","","0.0529","0.0584","","","","","","1.04","","","","has coordinates,has disorder","267580","2021-07-16","04:34:17",""
"7243226","11.4601","0.0003","22.5734","0.0004","22.7365","0.0005","90","","95.327","0.001","90","","5856.4","0.2","296","","296","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C63 H45 Gd3 O18 -","- C63 H45 Gd3 O18 -","- C252 H180 Gd12 O72 -","4","1","","Theppitak, Chatphorn; Kielar, Filip; Dungkaew, Winya; Sukwattanasinitt, Mongkol; Kangkaew, Laongdao; Sahasithiwat, Somboon; Zenno, Hikaru; Hayami, Shinya; Chainok, Kittipong","The coordination chemistry of benzhydrazide with lanthanide(iii) ions: hydrothermal in situ ligand formation, structures, magnetic and photoluminescence sensing properties","RSC Advances","2021","11","40","24709","24721","10.1039/D1RA03106F","","x-ray","0.71073","MoKα","K-L~3~","0.0365","0.0245","","","0.041","0.0446","","","","","","1.062","","","","has coordinates,has disorder","267580","2021-07-16","04:34:17",""
"7243227","8.4459","0.0001","23.8241","0.0003","20.1246","0.0003","90","","91.423","0.001","90","","4048.14","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H52 N4 O8 Zn2 -","- C44 H52 N4 O8 Zn2 -","- C176 H208 N16 O32 Zn8 -","4","1","","Barwiolek, Magdalena; Jankowska, Dominika; Chorobinski, Mateusz; Kaczmarek-Kędziera, Anna; Łakomska, Iwona; Wojtulewski, Slawomir; Muzioł, Tadeusz M.","New dinuclear zinc(ii) complexes with Schiff bases obtained from o-phenylenediamine and their application as fluorescent materials in spin coating deposition","RSC Advances","2021","11","40","24515","24525","10.1039/D1RA03096E","","x-ray","1.54184","CuKα","","0.0608","0.0495","","","0.1246","0.1339","","","","","","1.044","","","","has coordinates","267581","2021-07-16","04:36:42",""
"7243228","8.421","0.0017","8.749","0.0017","10.713","0.002","84.53","0.03","88.28","0.03","65.61","0.03","715.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C31.4 H30.8 N4 O6 Zn2 -","- C31.4 H28.2 N4 O6 Zn2 -","- C31.4 H28.2 N4 O6 Zn2 -","1","0.5","","Barwiolek, Magdalena; Jankowska, Dominika; Chorobinski, Mateusz; Kaczmarek-Kędziera, Anna; Łakomska, Iwona; Wojtulewski, Slawomir; Muzioł, Tadeusz M.","New dinuclear zinc(ii) complexes with Schiff bases obtained from o-phenylenediamine and their application as fluorescent materials in spin coating deposition","RSC Advances","2021","11","40","24515","24525","10.1039/D1RA03096E","","x-ray","0.7999","synchrotron","","0.0956","0.0592","","","0.1518","0.1805","","","","","","1.054","","","","has coordinates,has disorder","267581","2021-07-16","04:36:43",""
"7243229","9.7065","0.0008","18.7394","0.0015","8.5024","0.0007","90","","99.072","0.002","90","","1527.2","0.2","173.15","","173.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 N3 -","- C17 H25 N3 -","- C68 H100 N12 -","4","1","","Mohlala, Reagan L.; Coyanis, E. Mabel; Fernandes, Manuel A.; Bode, Moira L.","Catalyst-free synthesis of novel 1,5-benzodiazepines and 3,4-dihydroquinoxalines using isocyanide-based one-pot, three- and four-component reactions","RSC Advances","2021","11","39","24466","24473","10.1039/D1RA04444C","","","0.71073","MoKα","","0.0883","0.0396","","","0.0727","0.0817","","","","","","0.825","","","","has coordinates","267582","2021-07-16","04:37:42",""
"7243230","12.5443","0.0004","10.8032","0.0003","13.1304","0.0004","90","","90.6124","0.0019","90","","1779.31","0.09","173","2","173.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H29 N3 -","- C19 H29 N3 -","- C76 H116 N12 -","4","1","","Mohlala, Reagan L.; Coyanis, E. Mabel; Fernandes, Manuel A.; Bode, Moira L.","Catalyst-free synthesis of novel 1,5-benzodiazepines and 3,4-dihydroquinoxalines using isocyanide-based one-pot, three- and four-component reactions","RSC Advances","2021","11","39","24466","24473","10.1039/D1RA04444C","","","0.71073","MoKα","","0.0617","0.0421","","","0.0994","0.1092","","","","","","1.055","","","","has coordinates","267582","2021-07-16","04:37:43",""
"7243231","8.1778","0.0002","10.86","0.0003","21.2146","0.0006","90","","90","","90","","1884.09","0.09","173","2","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 Cl2 N3 -","- C18 H27 Cl2 N3 -","- C72 H108 Cl8 N12 -","4","1","","Mohlala, Reagan L.; Coyanis, E. Mabel; Fernandes, Manuel A.; Bode, Moira L.","Catalyst-free synthesis of novel 1,5-benzodiazepines and 3,4-dihydroquinoxalines using isocyanide-based one-pot, three- and four-component reactions","RSC Advances","2021","11","39","24466","24473","10.1039/D1RA04444C","","","0.71073","MoKα","","0.0372","0.0298","","","0.0665","0.0692","","","","","","1.069","","","","has coordinates","267582","2021-07-16","04:37:43",""
"7243232","8.4799","0.0002","11.2725","0.0003","16.0259","0.0005","90","","90","","90","","1531.91","0.07","173","2","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H19 Cl2 N3 -","- C14 H19 Cl2 N3 -","- C56 H76 Cl8 N12 -","4","1","","Mohlala, Reagan L.; Coyanis, E. Mabel; Fernandes, Manuel A.; Bode, Moira L.","Catalyst-free synthesis of novel 1,5-benzodiazepines and 3,4-dihydroquinoxalines using isocyanide-based one-pot, three- and four-component reactions","RSC Advances","2021","11","39","24466","24473","10.1039/D1RA04444C","","","0.71073","MoKα","","0.0311","0.0269","","","0.0618","0.0638","","","","","","1.045","","","","has coordinates","267582","2021-07-16","04:37:43",""
"7243233","7.6374","0.0003","14.0781","0.0007","14.1339","0.0008","99.701","0.004","105.305","0.004","99.451","0.004","1409.59","0.13","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 N2 O17 Zn -","- C22 H34 N2 O17 Zn -","- C44 H68 N4 O34 Zn2 -","2","1","","Zhao, Guozheng; Liu, Jinjian","The modulation effect of pi‒pi interactions on the electronic and photochromic properties of viologen complexes containing N,N′-bis(carboxyethyl)-4,4′-bipyridinium","RSC Advances","2021","11","40","24500","24507","10.1039/D1RA02469H","","x-ray","1.54184","CuKα","","0.0527","0.0498","","","0.1317","0.1347","","","","","","1.07","","","","has coordinates","267583","2021-07-16","04:38:29",""
"7243234","7.6409","0.0005","14.075","0.0008","14.1402","0.0008","99.692","0.001","105.46","0.001","99.329","0.002","1410.07","0.15","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 Co N2 O17 -","- C22 H34 Co N2 O17 -","- C44 H68 Co2 N4 O34 -","2","1","","Zhao, Guozheng; Liu, Jinjian","The modulation effect of pi‒pi interactions on the electronic and photochromic properties of viologen complexes containing N,N′-bis(carboxyethyl)-4,4′-bipyridinium","RSC Advances","2021","11","40","24500","24507","10.1039/D1RA02469H","","","0.71073","MoKα","","0.0494","0.0466","","","0.126","0.1282","","","","","","1.021","","","","has coordinates","267583","2021-07-16","04:38:29",""
"7243235","11.0944","0.0006","16.4078","0.001","20.5808","0.0012","90","","99.941","0.003","90","","3690.2","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 Cl2 N12 Re6 S8 -","- C18 H24 Cl2 N12 Re6 S8 -","- C72 H96 Cl8 N48 Re24 S32 -","4","1","","Ly, Giang Thi; Choi, Jun; Kim, Youngmee; Kim, Yuna; Kim, Sujin; Yang, So-Hyeon; Kim, Sung-Jin","One-dimensional lead iodide hybrid stabilized by inorganic hexarhenium cluster cations as a new broad-band emitter","RSC Advances","2021","11","40","24580","24587","10.1039/D1RA04170C","","","0.71073","MoKα","","0.0566","0.0369","","","0.0705","0.0838","","","","","","1.225","","","","has coordinates,has disorder","267584","2021-07-16","04:39:00",""
"7243236","10.5488","0.0005","11.229","0.0005","19.1582","0.001","90.416","0.003","93.892","0.003","97.737","0.002","2243.18","0.19","170","2","170","2","","","","","","","","8","P -1","-P 1","2","","","","- C42 H80 I8 N20 O8 Pb3 Re6 S8 -","- C42 H80 I8 N20 O8 Pb3 Re6 S8 -","- C42 H80 I8 N20 O8 Pb3 Re6 S8 -","1","0.5","","Ly, Giang Thi; Choi, Jun; Kim, Youngmee; Kim, Yuna; Kim, Sujin; Yang, So-Hyeon; Kim, Sung-Jin","One-dimensional lead iodide hybrid stabilized by inorganic hexarhenium cluster cations as a new broad-band emitter","RSC Advances","2021","11","40","24580","24587","10.1039/D1RA04170C","","","0.71073","MoKα","","0.0611","0.0472","","","0.1247","0.1348","","","","","","1.035","","","","has coordinates","267584","2021-07-16","04:39:03",""
"7243237","15.4376","0.0004","5.92226","0.00013","19.0732","0.0006","90","","100.548","0.003","90","","1714.31","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 Cl N3 O3 -","- C17 H20 Cl N3 O3 -","- C68 H80 Cl4 N12 O12 -","4","1","","Zhoujin, Yunping; Zhang, Mingtao; Parkin, Sean; Li, Tonglei; Yu, Faquan; Long, Sihui","A new solvate of clonixin and a comparison of the two clonixin solvates","RSC Advances","2021","11","40","24836","24842","10.1039/D1RA03623H","","x-ray","1.54184","CuKα","","0.0492","0.0405","","","0.1073","0.1155","","","","","","1.035","","","","has coordinates","267613","2021-07-17","05:38:59",""
"7243238","7.9279","0.0012","9.0455","0.0013","17.152","0.003","78.981","0.005","89.505","0.005","75.427","0.005","1167.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","fac-[Re(CO)3(5Me-Sal-Trypt)]2","fac-bis{2-[(2-Indol-3-yl-ethyl)liminomethyl)]-5-methylphenolato}-hexacarbonyl-di-rhenium(I)","","- C48 H46 N4 O10 Re2 -","- C48 H46 N4 O10 Re2 -","- C48 H46 N4 O10 Re2 -","1","0.5","","Jacobs, Frederick J. F.; Venter, Gertruida J. S.; Fourie, Eleanor; Kroon, Robin E.; Brink, Alice","Substitution reactivity and structural variability induced by tryptamine on the biomimetic rhenium tricarbonyl complex","RSC Advances","2021","11","39","24443","24455","10.1039/D1RA03750A","","","0.71073","MoKα","","0.0253","0.0204","","","","0.0397","","","","","","1.02","","","","has coordinates,has disorder","267614","2021-07-17","05:39:28",""
"7243239","10.506","0.0007","26.642","0.002","12.3068","0.0008","90","","106.455","0.002","90","","3303.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","fac-[Re(CO)3(5Me-Sal-Trypt)(PPh3)]","fac-Tricarbonyl-{2-[(2-Indol-3-yl-ethyl)liminomethyl)]-5-methylphenolato}-triphenylphosphine-rhenium(I)","","- C39 H32 N2 O4 P Re -","- C39 H32 N2 O4 P Re -","- C156 H128 N8 O16 P4 Re4 -","4","1","","Jacobs, Frederick J. F.; Venter, Gertruida J. S.; Fourie, Eleanor; Kroon, Robin E.; Brink, Alice","Substitution reactivity and structural variability induced by tryptamine on the biomimetic rhenium tricarbonyl complex","RSC Advances","2021","11","39","24443","24455","10.1039/D1RA03750A","","","0.71073","MoKα","","0.029","0.0236","","","","0.0566","","","","","","1.066","","","","has coordinates","267614","2021-07-17","05:39:28",""
"7243240","7.2371","0.0001","6.8632","0.0001","16.2164","0.0003","90","","101.478","0.001","90","","789.35","0.02","294","2","294","2","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C20 H16 N4 -","- C20 H16 N4 -","- C40 H32 N8 -","2","0.5","","Ramle, Abdul Qaiyum; Fei, Chee Chin; Tiekink, Edward R. T.; Basirun, Wan Jefrey","Indoleninyl-substituted pyrimido[1,2-b]indazoles via a facile condensation reaction","RSC Advances","2021","11","40","24647","24651","10.1039/D1RA04372B","","","1.54184","CuKα","","0.0717","0.0687","","","0.1938","0.1978","","","","","","1.067","","","","has coordinates","267615","2021-07-17","05:39:51",""
"7243249","7.7496","0.0003","21.2931","0.0004","11.3262","0.0006","90","","96.315","0.006","90","","1857.63","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","6-(tert-butyldimethylsilyloxy)-7-chloro-1,1-dimethyl-3-hydroxybenzo-1,2,3-siloxaborole","","- C14 H24 B Cl O3 Si2 -","- C14 H24 B Cl O3 Si2 -","- C56 H96 B4 Cl4 O12 Si8 -","4","1","","Pacholak, P.; Krajewska, J.; Wińska, P.; Dunikowska, J.; Gogowska, U.; Mierzejewska, J.; Durka, K.; Woźniak, K.; Laudy, A. E.; Luliński, S.","Development of structurally extended benzosiloxaboroles ‒ synthesis and in vitro biological evaluation","RSC Advances","2021","11","41","25104","25121","10.1039/D1RA04127D","","x-ray","1.54184","CuKα","","0.0418","0.0322","","","0.0794","0.0853","","","","","","1.056","","","","has coordinates","267692","2021-07-22","05:06:35",""
"7243250","8.8909","0.0002","13.0768","0.0003","21.5996","0.0008","105.046","0.002","100.815","0.003","90.79","0.002","2376.92","0.12","100","2","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C9 H12 B Cl O3 Si -","- C9 H12 B Cl O3 Si -","- C72 H96 B8 Cl8 O24 Si8 -","8","4","","Pacholak, P.; Krajewska, J.; Wińska, P.; Dunikowska, J.; Gogowska, U.; Mierzejewska, J.; Durka, K.; Woźniak, K.; Laudy, A. E.; Luliński, S.","Development of structurally extended benzosiloxaboroles ‒ synthesis and in vitro biological evaluation","RSC Advances","2021","11","41","25104","25121","10.1039/D1RA04127D","","x-ray","1.54184","CuKα","","0.0621","0.0444","","","0.1107","0.1229","","","","","","1.012","","","","has coordinates","267692","2021-07-22","05:06:36",""
"7243251","8.456","0.0006","18.7604","0.0007","9.4974","0.0013","90","","93.128","0.014","90","","1504.4","0.2","100","2","100.01","0.13","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 B Cl F N O3 Si -","- C13 H12 B Cl F N O3 Si -","- C52 H48 B4 Cl4 F4 N4 O12 Si4 -","4","1","","Pacholak, P.; Krajewska, J.; Wińska, P.; Dunikowska, J.; Gogowska, U.; Mierzejewska, J.; Durka, K.; Woźniak, K.; Laudy, A. E.; Luliński, S.","Development of structurally extended benzosiloxaboroles ‒ synthesis and in vitro biological evaluation","RSC Advances","2021","11","41","25104","25121","10.1039/D1RA04127D","","x-ray","1.54184","CuKα","","0.0679","0.0498","","","0.1201","0.1292","","","","","","1.08","","","","has coordinates","267692","2021-07-22","05:06:36",""
"7243252","11.1357","0.0001","7.9341","0.0001","18.6956","0.0002","90","","93.418","0.001","90","","1648.85","0.03","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","7-Chloro-6-(phenylsulfonyloxy)-1,1-dimethyl-3-hydroxybenzo-1,2,3-siloxaborole","","- C14 H14 B Cl O5 S Si -","- C14 H14 B Cl O5 S Si -","- C56 H56 B4 Cl4 O20 S4 Si4 -","4","1","","Pacholak, P.; Krajewska, J.; Wińska, P.; Dunikowska, J.; Gogowska, U.; Mierzejewska, J.; Durka, K.; Woźniak, K.; Laudy, A. E.; Luliński, S.","Development of structurally extended benzosiloxaboroles ‒ synthesis and in vitro biological evaluation","RSC Advances","2021","11","41","25104","25121","10.1039/D1RA04127D","","x-ray","1.54184","CuKα","","0.0304","0.029","","","0.0821","0.0833","","","","","","1.05","","","","has coordinates","267692","2021-07-22","05:06:36",""
"7243253","15.639","0.006","7.9654","0.0006","16.704","0.011","90","","116.4","0.08","90","","1863.8","1.9","100","2","100.01","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C60 H52 B4 Cl4 F12 O20 S4 Si4 -","- C60 H52 B4 Cl4 F12 O20 S4 Si4 -","- C60 H52 B4 Cl4 F12 O20 S4 Si4 -","1","0.25","","Pacholak, P.; Krajewska, J.; Wińska, P.; Dunikowska, J.; Gogowska, U.; Mierzejewska, J.; Durka, K.; Woźniak, K.; Laudy, A. E.; Luliński, S.","Development of structurally extended benzosiloxaboroles ‒ synthesis and in vitro biological evaluation","RSC Advances","2021","11","41","25104","25121","10.1039/D1RA04127D","","x-ray","0.71073","MoKα","","0.097","0.0574","","","0.1437","0.175","","","","","","0.957","","","","has coordinates","267692","2021-07-22","05:06:37",""
"7243254","10.1341","0.0001","12.5199","0.0002","12.6193","0.0002","90","","91.705","0.001","90","","1600.4","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","7-Chloro-6-benzoyloxy-1,1-dimethyl-3-hydroxybenzo-1,2,3-siloxaborole","","- C15 H14 B Cl O4 Si -","- C15 H14 B Cl O4 Si -","- C60 H56 B4 Cl4 O16 Si4 -","4","1","","Pacholak, P.; Krajewska, J.; Wińska, P.; Dunikowska, J.; Gogowska, U.; Mierzejewska, J.; Durka, K.; Woźniak, K.; Laudy, A. E.; Luliński, S.","Development of structurally extended benzosiloxaboroles ‒ synthesis and in vitro biological evaluation","RSC Advances","2021","11","41","25104","25121","10.1039/D1RA04127D","","x-ray","1.54184","CuKα","","0.032","0.029","","","0.079","0.082","","","","","","0.975","","","","has coordinates","267692","2021-07-22","05:06:37",""
"7243255","16.7599","0.0004","16.7599","0.0004","19.4746","0.0009","90","","90","","90","","5470.3","0.3","100","2","100.01","0.1","","","","","","","","8","P 42/m","-P 4c","84","","","","- C64 H72 B8 Cl8 F16 K10 O29 Si8 -","- C64 H72 B8 Cl8 F16 K10 O29 Si8 -","- C128 H144 B16 Cl16 F32 K20 O58 Si16 -","2","0.25","","Pacholak, P.; Krajewska, J.; Wińska, P.; Dunikowska, J.; Gogowska, U.; Mierzejewska, J.; Durka, K.; Woźniak, K.; Laudy, A. E.; Luliński, S.","Development of structurally extended benzosiloxaboroles ‒ synthesis and in vitro biological evaluation","RSC Advances","2021","11","41","25104","25121","10.1039/D1RA04127D","","x-ray","1.54184","CuKα","","0.2627","0.26","","","0.469","0.4704","","","","","","1.202","","","","has coordinates,has disorder","267692","2021-07-22","05:06:37",""
"7243256","6.19278","","6.19278","","8.24802","","90","","90","","120","","273.938","","295","1","300","","","","","","","","","3","P 6/m m m","-P 6 2","191","","","","- Ge1.35 Ho Pd0.65 -","- Ge1.3499 Ho Pd0.64986 -","- Ge1.3499 Ho Pd0.64986 -","1","0.0416667","","Litzbarski, Leszek S.; Klimczuk, Tomasz; Winiarski, Michał J.","Ho2Pd1.3Ge2.7 ‒ a ternary AlB2-type cluster glass system","RSC Advances","2021","11","41","25187","25193","10.1039/D1RA04422B","powder diffraction","","","CuKα","","","","","","","","","2.0879","2.54","","","","","","","has coordinates","267693","2021-07-22","05:07:29",""
"7243265","12.216","0.006","19.637","0.005","23.021","0.011","90","","99.56","0.04","90","","5446","4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H84 O16 Ti4 -","- C46 H84 O16 Ti4 -","- C184 H336 O64 Ti16 -","4","1","","Kazimierczuk, Katarzyna; Milanesio, Marco; Dołęga, Anna; Palin, Luca; Walencik, Maja; Jurkowski, Michał; Conterosito, Eleonora","Solvothermal synthesis and structural characterization of three polyoxotitanium-organic acid clusters","RSC Advances","2021","11","40","25068","25078","10.1039/D0RA09691A","","x-ray","0.71073","MoKα","","0.0706","0.0506","","","0.1293","0.1411","","","","","","1.028","","","","has coordinates,has disorder","267740","2021-07-25","04:21:28",""
"7243266","12.19","0.0015","13.515","0.002","15.26","0.003","107.574","0.013","92.097","0.013","105.434","0.011","2291.5","0.7","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C96 H96 O24 Ti6 -","- C96 H96 O24 Ti6 -","- C96 H96 O24 Ti6 -","1","0.5","","Kazimierczuk, Katarzyna; Milanesio, Marco; Dołęga, Anna; Palin, Luca; Walencik, Maja; Jurkowski, Michał; Conterosito, Eleonora","Solvothermal synthesis and structural characterization of three polyoxotitanium-organic acid clusters","RSC Advances","2021","11","40","25068","25078","10.1039/D0RA09691A","","x-ray","0.71073","MoKα","","0.0448","0.0384","","","0.0993","0.1033","","","","","","1.049","","","","has coordinates,has disorder","267740","2021-07-25","04:21:28",""
"7243267","14.9415","0.0019","15.493","0.002","20.12","0.003","72.82","0.011","83.873","0.011","78.346","0.011","4352.5","1.1","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C80 H96 O28 Ti6 -","- C80 H96 O28 Ti6 -","- C160 H192 O56 Ti12 -","2","1","","Kazimierczuk, Katarzyna; Milanesio, Marco; Dołęga, Anna; Palin, Luca; Walencik, Maja; Jurkowski, Michał; Conterosito, Eleonora","Solvothermal synthesis and structural characterization of three polyoxotitanium-organic acid clusters","RSC Advances","2021","11","40","25068","25078","10.1039/D0RA09691A","","x-ray","0.71073","MoKα","","0.1064","0.055","","","0.1263","0.1473","","","","","","1.017","","","","has coordinates,has disorder","267740","2021-07-25","04:21:28",""
"7243268","10.1584","0.0002","6.6612","0.0002","18.5993","0.0005","90","","90","","90","","1258.56","0.06","193","2","193","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C13 H13 N O5 -","- C13 H12.5 N O5 -","- C52 H50 N4 O20 -","4","0.5","","Duan, Guiyun; Liu, Hao; Zhang, Liqing; Yuan, Chunhao; Li, Yongchao; Ge, Yanqing","Access to 6-hydroxy indolizines and related imidazo[1,5-a]pyridines through the SN2 substitution/condensation/tautomerization cascade process","RSC Advances","2021","11","41","25624","25627","10.1039/D1RA04425G","","","1.34139","GaKα","","0.0615","0.0556","","","0.1519","0.1573","","","","","","1.099","","","","has coordinates,has disorder","267741","2021-07-25","04:22:02",""
"7243279","11.298","0.003","13.398","0.003","15.678","0.004","90","","107.247","0.004","90","","2266.5","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 N3 O5 -","- C24 H29 N3 O5 -","- C96 H116 N12 O20 -","4","1","","Tantawy, Ahmed H.; Meng, Xiang-Gao; Marzouk, Adel A.; Fouad, Ali; Abdelazeem, Ahmed H.; Youssif, Bahaa G. M.; Jiang, Hong; Wang, Man-Qun","Structure-based design, synthesis, and biological evaluation of novel piperine‒resveratrol hybrids as antiproliferative agents targeting SIRT-2","RSC Advances","2021","11","41","25738","25751","10.1039/D1RA04061H","","","0.71073","MoKα","","0.0948","0.0475","","","0.1263","0.1535","","","","","","1.037","","","","has coordinates","267814","2021-07-29","05:06:52",""
"7243280","5.329","0.003","10.708","0.005","15.496","0.007","83.878","0.009","87.608","0.009","82.24","0.009","870.8","0.7","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 F2 N2 O3 -","- C25 H18 F2 N2 O3 -","- C50 H36 F4 N4 O6 -","2","1","","Tantawy, Ahmed H.; Meng, Xiang-Gao; Marzouk, Adel A.; Fouad, Ali; Abdelazeem, Ahmed H.; Youssif, Bahaa G. M.; Jiang, Hong; Wang, Man-Qun","Structure-based design, synthesis, and biological evaluation of novel piperine‒resveratrol hybrids as antiproliferative agents targeting SIRT-2","RSC Advances","2021","11","41","25738","25751","10.1039/D1RA04061H","","","0.71073","MoKα","","0.0965","0.0623","","","0.169","0.1941","","","","","","1.052","","","","has coordinates","267814","2021-07-29","05:06:52",""
"7243281","13.6957","0.0016","6.3687","0.0007","24.058","0.003","90","","104.09","0.006","90","","2035.3","0.4","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H24.75 N3 O4.42 -","- C21 H24.88 N3 O4.41 -","- C84 H99.52 N12 O17.64 -","4","1","","Tantawy, Ahmed H.; Meng, Xiang-Gao; Marzouk, Adel A.; Fouad, Ali; Abdelazeem, Ahmed H.; Youssif, Bahaa G. M.; Jiang, Hong; Wang, Man-Qun","Structure-based design, synthesis, and biological evaluation of novel piperine‒resveratrol hybrids as antiproliferative agents targeting SIRT-2","RSC Advances","2021","11","41","25738","25751","10.1039/D1RA04061H","","","1.54178","CuKα","","0.1081","0.0706","","","0.188","0.215","","","","","","1.029","","","","has coordinates","267814","2021-07-29","05:06:53",""
"7243282","10.9249","0.0005","6.574","0.0003","25.7341","0.0011","90","","94.79","0.003","90","","1841.78","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O5 -","- C20 H20 N2 O5 -","- C80 H80 N8 O20 -","4","1","","Tantawy, Ahmed H.; Meng, Xiang-Gao; Marzouk, Adel A.; Fouad, Ali; Abdelazeem, Ahmed H.; Youssif, Bahaa G. M.; Jiang, Hong; Wang, Man-Qun","Structure-based design, synthesis, and biological evaluation of novel piperine‒resveratrol hybrids as antiproliferative agents targeting SIRT-2","RSC Advances","2021","11","41","25738","25751","10.1039/D1RA04061H","","","1.54178","CuKα","","0.1011","0.0925","","","0.2368","0.253","","","","","","1.026","","","","has coordinates","267814","2021-07-29","05:06:53",""
"7243283","6.6192","0.0006","19.7039","0.0017","14.2723","0.0013","90","","99.079","0.005","90","","1838.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O6 -","- C20 H20 N2 O6 -","- C80 H80 N8 O24 -","4","1","","Tantawy, Ahmed H.; Meng, Xiang-Gao; Marzouk, Adel A.; Fouad, Ali; Abdelazeem, Ahmed H.; Youssif, Bahaa G. M.; Jiang, Hong; Wang, Man-Qun","Structure-based design, synthesis, and biological evaluation of novel piperine‒resveratrol hybrids as antiproliferative agents targeting SIRT-2","RSC Advances","2021","11","41","25738","25751","10.1039/D1RA04061H","","","1.54178","CuKα","","0.0507","0.0461","","","0.1239","0.1332","","","","","","1.074","","","","has coordinates","267814","2021-07-29","05:06:53",""
"7243284","18.1988","0.0007","4.8105","0.0002","22.1672","0.0008","90","","112.874","0.003","90","","1788.03","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O5 -","- C20 H18 N2 O5 -","- C80 H72 N8 O20 -","4","1","","Tantawy, Ahmed H.; Meng, Xiang-Gao; Marzouk, Adel A.; Fouad, Ali; Abdelazeem, Ahmed H.; Youssif, Bahaa G. M.; Jiang, Hong; Wang, Man-Qun","Structure-based design, synthesis, and biological evaluation of novel piperine‒resveratrol hybrids as antiproliferative agents targeting SIRT-2","RSC Advances","2021","11","41","25738","25751","10.1039/D1RA04061H","","","1.54178","CuKα","","0.0687","0.049","","","0.1431","0.1575","","","","","","1.072","","","","has coordinates","267814","2021-07-29","05:06:53",""
"7243336","30.1122","0.0018","11.7047","0.0005","8.0292","0.0003","90","","96.307","0.005","90","","2812.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N2 O6 S2 -","- C12 H14 N2 O6 S2 -","- C96 H112 N16 O48 S16 -","8","2","","Bouguerra, Manel; Mahroug, Adel; Wróbel, Agata; Trzybiński, Damian; Woźniak, Krzysztof; Belhouchet, Mohamed","Physico-chemical study of new supramolecular-architectured hybrid organic–inorganic sulfates incorporating diammoniumdiphenylsulfone cations","RSC Advances","2021","11","42","26368","26378","10.1039/D1RA03696C","","x-ray","1.54184","CuKα","","0.0832","0.0573","","","0.1344","0.1485","","","","","","1.057","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7243337","10.6218","0.0004","9.6697","0.0004","14.1442","0.0005","90","","106.322","0.004","90","","1394.2","0.1","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 N2 O6 S2 -","- C12 H14 N2 O6 S2 -","- C48 H56 N8 O24 S8 -","4","2","","Bouguerra, Manel; Mahroug, Adel; Wróbel, Agata; Trzybiński, Damian; Woźniak, Krzysztof; Belhouchet, Mohamed","Physico-chemical study of new supramolecular-architectured hybrid organic–inorganic sulfates incorporating diammoniumdiphenylsulfone cations","RSC Advances","2021","11","42","26368","26378","10.1039/D1RA03696C","","x-ray","1.54184","CuKα","","0.0365","0.0329","","","0.0881","0.0919","","","","","","1.063","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7243338","18.8828","0.0007","11.3176","0.0004","8.0387","0.0003","90","","94.0405","0.0014","90","","1713.66","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 Co N2 O9 -","- C14 H18 Co N2 O9 -","- C56 H72 Co4 N8 O36 -","4","1","","Hsieh, Yi-Ting; Huang, Ssu-Chia; Lu, Shih-I.; Wang, Hsiao-Hsun; Chang, Tsai-Wen; Wang, Chih-Chieh; Lee, Gene-Hsiang; Chuang, Yu-Chun","Electrochemical characterization of and theoretical insight into a series of 2D MOFs, [M(bipy)(C4O4)(H2O)2]·3H2O (M = Mn (1), Fe (2), Co (3) and Zn (4)), for chemical sensing applications","RSC Advances","2021","11","43","26516","26522","10.1039/D1RA04622E","","","0.71073","MoKα","","0.0753","0.071","","","0.1311","0.1329","","","","","","1.306","","","","has coordinates","267911","2021-08-03","04:58:56",""
"7243339","11.3434","0.0003","14.0488","0.0004","13.7721","0.0004","90","","107.982","0.008","90","","2087.53","0.14","94","","94","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25.5 H17 B Cl N2 O2 -","- C25.5 H18 B Cl N2 O2 -","- C102 H72 B4 Cl4 N8 O8 -","4","1","","Hoshi, Keita; Itaya, Masami; Tahara, Koki; Matsumoto, Airi; Tabata, Atsuhi; Nagamune, Hideaki; Yoshida, Yasushi; Hase, Eiji; Minamikawa, Takeo; Yasui, Takeshi; Katayama, Tetsuro; Furube, Akihiro; Minagawa, Keiji; Imada, Yasushi; Yagishita, Fumitoshi","Two-photon excitable boron complex based on tridentate imidazo[1,5-a]pyridine ligand for heavy-atom-free mitochondria-targeted photodynamic therapy","RSC Advances","2021","11","42","26403","26407","10.1039/D1RA05059A","","","1.54187","CuKα","","0.0919","0.082","","","0.1917","0.1983","","","","","","1.053","","","","has coordinates,has disorder","267912","2021-08-03","04:59:22",""
"7243344","14.3406","0.0008","17.5842","0.0011","19.2583","0.0011","90","","105.478","0.003","90","","4680.2","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H47 Cl3 N4 O10 -","- C46 H47 Cl3 N4 O10 -","- C184 H188 Cl12 N16 O40 -","4","1","","Sharma, Pragati R.; Pandey, Shubham; Malik, Apoorva; Choudhary, Ganpat; Soni, Vineet K.; Sharma, Rakesh K.","Calix[4]amido crown functionalized visible sensors for cyanide and iodide anions","RSC Advances","2021","11","43","26644","26654","10.1039/D1RA03608D","","","0.71073","MoKα","","0.139","0.093","","","0.2791","0.3244","","","","","","1.925","","","","has coordinates","267956","2021-08-05","03:37:22",""
"7243349","10.8049","0.0001","13.8758","0.0002","14.4304","0.0002","62.546","0.001","81.232","0.001","88.055","0.001","1895.79","0.05","149.99","0.1","149.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H27 O2 P -","- C22 H27 O2 P -","- C88 H108 O8 P4 -","4","2","","Lamola, Jairus L.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher","Evaluation of P-bridged biaryl phosphine ligands in palladium-catalysed Suzuki–Miyaura cross-coupling reactions","RSC Advances","2021","11","43","26883","26891","10.1039/D1RA04947J","","x-ray","1.54184","CuKα","","0.0366","0.0344","","","0.0914","0.0932","","","","","","1.078","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7243350","8.0873","0.0007","9.4963","0.0009","13.1468","0.0012","92.553","0.004","105.035","0.004","95.537","0.004","968.01","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C H O P -","- C2.75 H3.125 O0.375 P0.125 -","- C44 H50 O6 P2 -","16","8","","Lamola, Jairus L.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher","Evaluation of P-bridged biaryl phosphine ligands in palladium-catalysed Suzuki‒Miyaura cross-coupling reactions","RSC Advances","2021","11","43","26883","26891","10.1039/D1RA04947J","","","0.71073","MoKα","","0.0624","0.0446","","","0.1056","0.1138","","","","","","1.059","","","","has coordinates","267972","2021-08-06","03:51:41",""
"7243351","14.554","0.002","7.222","0.0011","31.176","0.004","90","","97.878","0.005","90","","3246","0.8","293","2","293","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C40 H46 P2 -","- C2.22222 H2.55556 P0.111111 -","- C160 H184 P8 -","72","18","","Lamola, Jairus L.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher","Evaluation of P-bridged biaryl phosphine ligands in palladium-catalysed Suzuki‒Miyaura cross-coupling reactions","RSC Advances","2021","11","43","26883","26891","10.1039/D1RA04947J","","","0.71073","MoKα","","0.0495","0.0413","","","0.0942","0.098","","","","","","1.063","","","","has coordinates","267972","2021-08-06","03:51:41",""
"7243352","23.219","0.002","8.4649","0.0008","24.795","0.002","90","","110.975","0.002","90","","4550.4","0.7","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N,N-dimethyl-2'-((1R,3S,5S,7R)-1,3,5,7-tetramethyl-2,4,6-trioxa-8-phosphaadamantan-8-yl)-[1,1'-biphenyl]-2-amine","","- C24 H30 N O3 P -","- C3.2 H4 N0.133333 O0.4 P0.133333 -","- C192 H240 N8 O24 P8 -","60","7.5","","Lamola, Jairus L.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher","Evaluation of P-bridged biaryl phosphine ligands in palladium-catalysed Suzuki‒Miyaura cross-coupling reactions","RSC Advances","2021","11","43","26883","26891","10.1039/D1RA04947J","","","0.71073","MoKα","","0.0438","0.0358","","","0.091","0.0971","","","","","","1.038","","","","has coordinates","267972","2021-08-06","03:51:41",""
"7243397","10.7445","0.0003","19.4078","0.0005","8.7809","0.0002","90","","112.949","0.001","90","","1686.13","0.08","100","0.2","100","0.2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C22 H18 N2 -","- C22 H18 N2 -","- C88 H72 N8 -","4","1","","Asressu, Kesatebrhan Haile; Chan, Chieh-Kai; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of trisubstituted imidazoles using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions","RSC Advances","2021","11","45","28061","28071","10.1039/D1RA05802A","","","0.71073","MoKα","","0.0419","0.0334","","","0.0757","0.0808","","","","","","1.064","","","","has coordinates","268148","2021-08-20","01:12:46",""
"7243398","16.5878","0.0005","9.2549","0.0003","20.0075","0.0006","90","","90","","90","","3071.52","0.16","100","0.2","100","0.2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 N2 -","- C19 H20 N2 -","- C152 H160 N16 -","8","1","","Asressu, Kesatebrhan Haile; Chan, Chieh-Kai; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of trisubstituted imidazoles using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions","RSC Advances","2021","11","45","28061","28071","10.1039/D1RA05802A","","","0.71073","MoKα","","0.0529","0.0398","","","0.09","0.0972","","","","","","1.056","","","","has coordinates","268148","2021-08-20","01:12:47",""
"7243399","11.1404","0.0004","14.6012","0.0006","9.2447","0.0003","90","","104.497","0.001","90","","1455.89","0.09","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 N2 S2 -","- C17 H12 N2 S2 -","- C68 H48 N8 S8 -","4","1","","Asressu, Kesatebrhan Haile; Chan, Chieh-Kai; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of trisubstituted imidazoles using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions","RSC Advances","2021","11","45","28061","28071","10.1039/D1RA05802A","","","0.71073","MoKα","","0.0566","0.0427","","","0.0999","0.1065","","","","","","1.049","","","","has coordinates,has disorder","268148","2021-08-20","01:12:47",""
"7243400","9.2089","0.0002","19.8306","0.0003","10.4519","0.0002","90","","101.492","0.001","90","","1870.44","0.06","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 Br N2 O2 -","- C23 H19 Br N2 O2 -","- C92 H76 Br4 N8 O8 -","4","1","","Asressu, Kesatebrhan Haile; Chan, Chieh-Kai; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of trisubstituted imidazoles using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions","RSC Advances","2021","11","45","28061","28071","10.1039/D1RA05802A","","","0.71073","MoKα","","0.0366","0.0262","","","0.0562","0.0603","","","","","","1.036","","","","has coordinates","268148","2021-08-20","01:12:47",""
"7243401","8.9585","0.0004","11.3947","0.0005","28.7859","0.0013","90","","90","","90","","2938.4","0.2","100","0.2","100","0.2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H14 N2 O -","- C19 H14 N2 O -","- C152 H112 N16 O8 -","8","2","","Asressu, Kesatebrhan Haile; Chan, Chieh-Kai; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of trisubstituted imidazoles using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions","RSC Advances","2021","11","45","28061","28071","10.1039/D1RA05802A","","","1.54178","CuKα","","0.1249","0.0871","","","0.2137","0.2411","","","","","","1.017","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7243402","10.237","0.0004","18.3683","0.0006","22.354","0.0008","90","","95.807","0.001","90","","4181.8","0.3","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23.5 H20.5 Cl1.5 N2 O2 -","- C23.5 H20.5 Cl1.5 N2 O2 -","- C188 H164 Cl12 N16 O16 -","8","2","","Asressu, Kesatebrhan Haile; Chan, Chieh-Kai; Wang, Cheng-Chung","TMSOTf-catalyzed synthesis of trisubstituted imidazoles using hexamethyldisilazane as a nitrogen source under neat and microwave irradiation conditions","RSC Advances","2021","11","45","28061","28071","10.1039/D1RA05802A","","","0.71073","MoKα","","0.0857","0.0627","","","0.1759","0.1928","","","","","","1.054","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7243414","16.2034","0.0005","9.9224","0.0003","10.1872","0.0003","90","","102.899","0.002","90","","1596.53","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N5 O2 S -","- C14 H17 N5 O2 S -","- C56 H68 N20 O8 S4 -","4","1","","Vinogradova, Ekaterina E.; Gazieva, Galina A.; Izmest'ev, Alexei N.; Karnoukhova, Valentina A.; Kravchenko, Angelina N.","Dimroth-type N/S-interchange of N-aminothioglycolurils in the synthesis of 2-hydrazonoimidazo[4,5-d]thiazolones","RSC Advances","2021","11","45","28395","28400","10.1039/D1RA05568B","","","0.71073","MoKα","","0.0577","0.0417","","","0.1065","0.1167","","","","","","1.035","","","","has coordinates","268180","2021-08-24","01:18:40",""
"7243415","9.7481","0.0005","9.6628","0.0004","30.3545","0.0014","90","","90","","90","","2859.2","0.2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N5 O S -","- C13 H15 N5 O S -","- C104 H120 N40 O8 S8 -","8","1","","Vinogradova, Ekaterina E.; Gazieva, Galina A.; Izmest'ev, Alexei N.; Karnoukhova, Valentina A.; Kravchenko, Angelina N.","Dimroth-type N/S-interchange of N-aminothioglycolurils in the synthesis of 2-hydrazonoimidazo[4,5-d]thiazolones","RSC Advances","2021","11","45","28395","28400","10.1039/D1RA05568B","","","0.71073","MoKα","","0.0723","0.0418","","","0.0926","0.1106","","","","","","1.04","","","","has coordinates","268180","2021-08-24","01:18:52",""
"7243440","7.4489","0.0012","7.4086","0.0012","32.085","0.005","90","","93.571","0.008","90","","1767.2","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Fe N2 S -","- C22 H14 Fe N2 S -","- C88 H56 Fe4 N8 S4 -","4","1","","Boulhaoua, Mohammed; Pasinszki, Tibor; Torvisco, Ana; Oláh-Szabó, Rita; Bősze, Szilvia; Csámpai, Antal","Synthesis, structure and in vitro antiproliferative effects of alkyne-linked 1,2,4-thiadiazole hybrids including erlotinib- and ferrocene-containing derivatives","RSC Advances","2021","11","46","28685","28697","10.1039/D1RA05095H","","x-ray","0.71073","MoKα","","0.1247","0.0862","","","0.1693","0.1837","","","","","","1.176","","","","has coordinates","268223","2021-08-26","01:23:58",""
"7243441","12.0436","0.001","14.8358","0.0012","7.5107","0.0006","90","","91.413","0.004","90","","1341.58","0.19","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 Fe I N2 S -","- C14 H9 Fe I N2 S -","- C56 H36 Fe4 I4 N8 S4 -","4","1","","Boulhaoua, Mohammed; Pasinszki, Tibor; Torvisco, Ana; Oláh-Szabó, Rita; Bősze, Szilvia; Csámpai, Antal","Synthesis, structure and in vitro antiproliferative effects of alkyne-linked 1,2,4-thiadiazole hybrids including erlotinib- and ferrocene-containing derivatives","RSC Advances","2021","11","46","28685","28697","10.1039/D1RA05095H","","x-ray","0.71073","MoKα","","0.0503","0.0297","","","0.0574","0.0669","","","","","","1.069","","","","has coordinates","268223","2021-08-26","01:23:59",""
"7243442","7.4925","0.0019","7.5319","0.0016","11.801","0.002","102.546","0.017","103.317","0.017","92.575","0.018","629.4","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H9 Cl Fe N2 S -","- C14 H9 Cl Fe N2 S -","- C28 H18 Cl2 Fe2 N4 S2 -","2","1","","Boulhaoua, Mohammed; Pasinszki, Tibor; Torvisco, Ana; Oláh-Szabó, Rita; Bősze, Szilvia; Csámpai, Antal","Synthesis, structure and in vitro antiproliferative effects of alkyne-linked 1,2,4-thiadiazole hybrids including erlotinib- and ferrocene-containing derivatives","RSC Advances","2021","11","46","28685","28697","10.1039/D1RA05095H","","x-ray","0.71073","MoKα","","0.0177","0.0168","","","0.0437","0.0445","","","","","","1.079","","","","has coordinates","268223","2021-08-26","01:23:59",""
"7243443","11.395","0.0011","19.7263","0.0018","7.6124","0.0008","90","","92.122","0.006","90","","1710","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Fe N2 S -","- C22 H14 Fe N2 S -","- C88 H56 Fe4 N8 S4 -","4","1","","Boulhaoua, Mohammed; Pasinszki, Tibor; Torvisco, Ana; Oláh-Szabó, Rita; Bősze, Szilvia; Csámpai, Antal","Synthesis, structure and in vitro antiproliferative effects of alkyne-linked 1,2,4-thiadiazole hybrids including erlotinib- and ferrocene-containing derivatives","RSC Advances","2021","11","46","28685","28697","10.1039/D1RA05095H","","x-ray","0.71073","MoKα","","0.0499","0.0317","","","0.0649","0.075","","","","","","1.104","","","","has coordinates","268223","2021-08-26","01:23:59",""
"7243444","9.7781","0.0009","21.088","0.002","11.3518","0.001","90","","99.46","0.004","90","","2308.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 Cl Fe N2 S -","- C12 H9 Cl Fe N2 S -","- C96 H72 Cl8 Fe8 N16 S8 -","8","2","","Boulhaoua, Mohammed; Pasinszki, Tibor; Torvisco, Ana; Oláh-Szabó, Rita; Bősze, Szilvia; Csámpai, Antal","Synthesis, structure and in vitro antiproliferative effects of alkyne-linked 1,2,4-thiadiazole hybrids including erlotinib- and ferrocene-containing derivatives","RSC Advances","2021","11","46","28685","28697","10.1039/D1RA05095H","","","0.71073","MoKα","","0.0314","0.0255","","","0.063","0.0679","","","","","","1.088","","","","has coordinates","268223","2021-08-26","01:23:59",""
"7243445","9.8936","0.0006","8.8451","0.0005","23.085","0.0013","90","","99.728","0.005","90","","1991.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Fe2 N2 S -","- C26 H18 Fe2 N2 S -","- C104 H72 Fe8 N8 S4 -","4","1","","Boulhaoua, Mohammed; Pasinszki, Tibor; Torvisco, Ana; Oláh-Szabó, Rita; Bősze, Szilvia; Csámpai, Antal","Synthesis, structure and in vitro antiproliferative effects of alkyne-linked 1,2,4-thiadiazole hybrids including erlotinib- and ferrocene-containing derivatives","RSC Advances","2021","11","46","28685","28697","10.1039/D1RA05095H","","x-ray","0.71073","MoKα","","0.0343","0.0287","","","0.0681","0.0709","","","","","","1.035","","","","has coordinates,has disorder","268223","2021-08-26","01:23:59",""
"7243446","11.9324","0.001","12.4694","0.0012","12.4948","0.001","90","","116.905","0.004","90","","1657.9","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9 Br F12 O2 -","- C14 H9 Br F12 O2 -","- C56 H36 Br4 F48 O8 -","4","1","","Chinen, Beatrice L.; Hyvl, Jakub; Brayton, Daniel F.; Riek, Matthew M.; Yoshida, Wesley Y.; Chapp, Timothy W.; Rheingold, Arnold L.; Cain, Matthew F.","Trimerization and cyclization of reactive P-functionalities confined within OCO pincers","RSC Advances","2021","11","46","28602","28613","10.1039/D1RA05926B","","x-ray","0.71073","MoKα","","0.0573","0.0464","","","0.1265","0.1341","","","","","","1.075","","","","has coordinates","268224","2021-08-26","01:25:26",""
"7243447","6.4519","0.0004","14.303","0.0009","11.4008","0.0006","90","","92.203","0.004","90","","1051.31","0.11","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H13 F12 O2 P -","- C20 H13 F12 O2 P -","- C40 H26 F24 O4 P2 -","2","1","","Chinen, Beatrice L.; Hyvl, Jakub; Brayton, Daniel F.; Riek, Matthew M.; Yoshida, Wesley Y.; Chapp, Timothy W.; Rheingold, Arnold L.; Cain, Matthew F.","Trimerization and cyclization of reactive P-functionalities confined within OCO pincers","RSC Advances","2021","11","46","28602","28613","10.1039/D1RA05926B","","","1.54178","CuKα","","0.0583","0.0508","","","0.1294","0.1345","","","","","","1.086","","","","has coordinates,has disorder","268224","2021-08-26","01:25:26",""
"7243448","13.9233","0.0007","14.4415","0.0009","12.9349","0.0007","90","","100.826","0.002","90","","2554.6","0.2","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H7 Br F6 O3 -","- C11 H7 Br F6 O3 -","- C88 H56 Br8 F48 O24 -","8","2","","Chinen, Beatrice L.; Hyvl, Jakub; Brayton, Daniel F.; Riek, Matthew M.; Yoshida, Wesley Y.; Chapp, Timothy W.; Rheingold, Arnold L.; Cain, Matthew F.","Trimerization and cyclization of reactive P-functionalities confined within OCO pincers","RSC Advances","2021","11","46","28602","28613","10.1039/D1RA05926B","","x-ray","0.71073","MoKα","","0.0251","0.023","","","0.0533","0.0541","","","","","","0.833","","","","has coordinates","268224","2021-08-26","01:25:26",""
"7243449","7.4093","0.0013","8.2707","0.0014","18.706","0.003","101.293","0.004","100.471","0.005","94.032","0.006","1098.7","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 Br O2 -","- C26 H29 Br O2 -","- C52 H58 Br2 O4 -","2","1","","Chinen, Beatrice L.; Hyvl, Jakub; Brayton, Daniel F.; Riek, Matthew M.; Yoshida, Wesley Y.; Chapp, Timothy W.; Rheingold, Arnold L.; Cain, Matthew F.","Trimerization and cyclization of reactive P-functionalities confined within OCO pincers","RSC Advances","2021","11","46","28602","28613","10.1039/D1RA05926B","","x-ray","0.71073","MoKα","K-L~3~","0.0553","0.0465","","","0.1194","0.1231","","","","","","1.092","","","","has coordinates","268224","2021-08-26","01:25:27",""
"7243450","10.515","0.005","15.037","0.008","22.719","0.011","100.8","0.03","94.78","0.02","103.351","0.019","3403","3","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C78 H87 O6 P3 -","- C78 H87 O6 P3 -","- C156 H174 O12 P6 -","2","1","","Chinen, Beatrice L.; Hyvl, Jakub; Brayton, Daniel F.; Riek, Matthew M.; Yoshida, Wesley Y.; Chapp, Timothy W.; Rheingold, Arnold L.; Cain, Matthew F.","Trimerization and cyclization of reactive P-functionalities confined within OCO pincers","RSC Advances","2021","11","46","28602","28613","10.1039/D1RA05926B","","x-ray","0.71073","MoKα","K-L~3~","0.1154","0.0788","","","0.166","0.1799","","","","","","1.096","","","","has coordinates","268224","2021-08-26","01:25:27",""
"7243454","8.1467","0.0001","21.3962","0.0003","20.1733","0.0003","90","","90.509","0.002","90","","3516.24","0.08","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H18 F12 N4 O10 S -","- C32 H18 F12 N4 O10 S -","- C128 H72 F48 N16 O40 S4 -","4","1","","Broumidis, Emmanouil; Jones, Callum M. S.; Koyioni, Maria; Kourtellaris, Andreas; Lloyd, Gareth O.; Marques-Hueso, Jose; Koutentis, Panayiotis A.; Vilela, Filipe","8,8′-(Benzo[c][1,2,5]thiadiazole-4,7-diyl)bis(quinolin-4(1H)-one): a twisted photosensitizer with AIE properties","RSC Advances","2021","11","47","29102","29107","10.1039/D1RA06263H","","","0.71065","MoKα","","0.0589","0.0513","","","0.138","0.1461","","","","","","1.035","","","","has coordinates,has disorder","268359","2021-09-02","01:10:20",""
"7243479","13.0069","0.0003","14.6783","0.0003","10.1587","0.0003","90","","107.854","0.003","90","","1846.09","0.08","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C30 H28 I6 N6 Pb -","- C30 H28 I6 N6 Pb -","- C60 H56 I12 N12 Pb2 -","2","0.25","","Yuan, Yaxuan; Xian, Yeming; Long, Yi; Zhang, Yangyi; Rahman, Naveed Ur; Zhang, Yongli; Fan, Jiandong; Li, Wenzhe","Terpyridine-derived perovskite single crystals with tunable structures and electronic dimensionality","RSC Advances","2021","11","40","24816","24821","10.1039/D1RA03957A","","x-ray","0.71073","MoKα","","0.0352","0.0295","","","0.07","0.0722","","","","","","1.069","","","","has coordinates","268488","2021-09-06","05:33:49",""
"7243480","22.4598","0.0005","12.1864","0.0002","14.4057","0.0003","90","","90","","90","","3942.9","0.14","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C30 H22 I6 N6 Pb3 -","- C30 H22 I6 N6 Pb3 -","- C120 H88 I24 N24 Pb12 -","4","0.5","","Yuan, Yaxuan; Xian, Yeming; Long, Yi; Zhang, Yangyi; Rahman, Naveed Ur; Zhang, Yongli; Fan, Jiandong; Li, Wenzhe","Terpyridine-derived perovskite single crystals with tunable structures and electronic dimensionality","RSC Advances","2021","11","40","24816","24821","10.1039/D1RA03957A","","x-ray","0.71073","MoKα","","0.0452","0.0273","","","0.0445","0.0489","","","","","","1.085","","","","has coordinates","268488","2021-09-06","05:33:50",""
"7243481","12.8492","0.0002","12.89296","0.00018","15.7151","0.0002","86.4469","0.0011","70.5166","0.0013","72.3962","0.0013","2337.22","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H52 I18 N12 Pb5 -","- C60 H52 I18 N12 Pb5 -","- C60 H52 I18 N12 Pb5 -","1","0.5","","Yuan, Yaxuan; Xian, Yeming; Long, Yi; Zhang, Yangyi; Rahman, Naveed Ur; Zhang, Yongli; Fan, Jiandong; Li, Wenzhe","Terpyridine-derived perovskite single crystals with tunable structures and electronic dimensionality","RSC Advances","2021","11","40","24816","24821","10.1039/D1RA03957A","","x-ray","0.71073","MoKα","","0.053","0.0325","","","0.0593","0.0645","","","","","","0.971","","","","has coordinates","268488","2021-09-06","05:33:50",""
"7243482","20.415","0.003","5.9806","0.0008","15.39","0.002","90","","105.234","0.002","90","","1813","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 Cl N O4 -","- C22 H14 Cl N O4 -","- C88 H56 Cl4 N4 O16 -","4","1","","Chen, Rongxiang; Liu, Bing; Li, Wenbo; Wang, Kai-Kai; Miao, Changqing; Li, Zhizhuang; Lv, Yingjie; Liu, Lantao","Synthesis of N-alkoxyphthalimide derivatives via PIDA-promoted cross dehydrogenative coupling reaction","RSC Advances","2021","11","14","8051","8054","10.1039/D1RA00375E","","","0.71073","MoKα","","0.0598","0.0385","","","0.0906","0.1031","","","","","","1.022","","","","has coordinates","268489","2021-09-06","05:37:12",""
"7243493","9.706","0.0009","24.576","0.002","14.6471","0.0017","90","","109.129","0.004","90","","3300.9","0.6","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","yt_dsj2","","","- C17 H29 N O3 -","- C17 H25 N O3 -","- C136 H200 N8 O24 -","8","4","","Li, Wei; Zhao, Lin; Sun, Li-Tong; Xie, Ze-Ping; Zhang, Shu-Min; Yue, Xi-Dian; Dai, Sheng-Jun","Trinorlabdane diterpenoid alkaloids featuring an unprecedented skeleton with anti-inflammatory and anti-viral activities from Forsythia suspensa","RSC Advances","2021","11","47","29684","29689","10.1039/D1RA05760J","","","1.54178","CuKα","","0.1218","0.1145","","","0.3024","0.3132","","","","","","1.371","","","","has coordinates","269042","2021-09-08","01:21:07",""
"7243494","6.8238","0.0003","14.8389","0.0007","10.849","0.0003","90","","96.975","0.003","90","","1090.41","0.08","104.9","","104.9","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C52 H60 N4 O8 -","4","1","","Su, Ziqi; Chai, Hongxin; Xu, Juan; Li, Jiarong","ZnCl2-promoted domino reaction of 2-hydroxybenzonitriles with ketones for synthesis of 1,3-benzoxazin-4-ones","RSC Advances","2021","11","48","29906","29911","10.1039/D1RA04194K","","x-ray","0.71073","MoKα","","0.0486","0.0396","","","0.0877","0.093","","","","","","1.05","","","","has coordinates","269043","2021-09-08","01:21:39",""
"7243495","15.2177","0.0002","6.7634","0.0001","11.0057","0.0002","90","","109.445","0.002","90","","1068.13","0.03","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Br N5 O2 -","- C7 H10 Br N5 O2 -","- C28 H40 Br4 N20 O8 -","4","1","","Bąchor, Urszula; Drozd-Szczygieł, Ewa; Bąchor, Remigiusz; Jerzykiewicz, Lucjan; Wieczorek, Robert; Mączyński, Marcin","New water-soluble isoxazole-linked 1,3,4-oxadiazole derivative with delocalized positive charge","RSC Advances","2021","11","47","29668","29674","10.1039/D1RA05116D","","","1.54184","CuKα","","0.0203","0.0197","","","0.0541","0.0545","","","","","","1.119","","","","has coordinates","269044","2021-09-08","01:22:10",""
"7243500","8.1585","0.0003","10.0268","0.0004","11.7398","0.0005","82.2199","0.0004","69.7716","0.0004","70.2331","0.0004","847.84","0.06","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","2-(4-chlorophenyl)-7-iodo-5-methyl-3-phenyl-1-benzofuran","","- C21 H14 Cl I O -","- C21 H14 Cl I O -","- C42 H28 Cl2 I2 O2 -","2","1","","Al-Zoubi, Raed M.; Al-Jammal, Walid K.; Ferguson, Michael J.; Murphy, Graham K.","Domino C‒C/C‒O bond formation: palladium-catalyzed regioselective synthesis of 7-iodobenzo[b]furans using 1,2,3-triiodobenzenes and benzylketones","RSC Advances","2021","11","48","30069","30077","10.1039/D1RA05730H","","","0.71073","MoKα","","0.0353","0.0338","","","0.0929","0.0944","","","","","","1.053","","","","has coordinates","269083","2021-09-10","01:20:36",""
"7243501","9.244","0.002","9.988","0.003","10.515","0.003","86.607","0.003","65.448","0.003","70.67","0.003","829.8","0.4","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","2-(4-chlorophenyl)-7-iodo-3-phenyl-1-benzofuran","","- C20 H12 Cl I O -","- C20 H12 Cl I O -","- C40 H24 Cl2 I2 O2 -","2","1","","Al-Zoubi, Raed M.; Al-Jammal, Walid K.; Ferguson, Michael J.; Murphy, Graham K.","Domino C‒C/C‒O bond formation: palladium-catalyzed regioselective synthesis of 7-iodobenzo[b]furans using 1,2,3-triiodobenzenes and benzylketones","RSC Advances","2021","11","48","30069","30077","10.1039/D1RA05730H","","","0.71073","MoKα","","0.0318","0.0265","","","0.064","0.0676","","","","","","1.051","","","","has coordinates","269083","2021-09-10","01:20:36",""
"7243502","10.578","0.0008","5.739","0.0005","13.2053","0.001","90","","97.765","0.003","90","","794.31","0.11","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H19 O11 Y -","- C9 H19 O11 Y -","- C18 H38 O22 Y2 -","2","1","","Yapryntsev, A. D.; Baranchikov, A. E.; Churakov, A. V.; Kopitsa, G. P.; Silvestrova, A. A.; Golikova, M. V.; Ivanova, O. S.; Gorshkova, Yu. E.; Ivanov, V. K.","The first amorphous and crystalline yttrium lactate: synthesis and structural features","RSC Advances","2021","11","48","30195","30205","10.1039/D1RA05923H","","","0.71073","MoKα","","0.0727","0.0667","","","0.1523","0.1561","","","","","","1.122","","","","has coordinates","269084","2021-09-10","01:21:06",""
"7243503","10.5012","0.001","21.4163","0.0019","10.7561","0.0009","90","","116.366","0.003","90","","2167.4","0.3","294","2","294","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C28 H21 N3 O2 -","- C28 H21 N3 O2 -","- C112 H84 N12 O8 -","4","1","","Thadem, Nagender; Rajesh, Manda; Das, Saibal","Activator free diastereoselective 1,3-dipolar cycloaddition: a quick access to coumarin based spiro multi heterocyclic adducts","RSC Advances","2021","11","48","29934","29938","10.1039/D1RA05070B","","","0.71073","MoKα","","0.0473","0.0411","","","0.1055","0.1105","","","","","","1.017","","","","has coordinates","269085","2021-09-10","01:21:52",""
"7243504","10.5361","0.0002","20.5984","0.0004","9.9179","0.0002","90","","90","","90","","2152.45","0.07","294","2","294","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C25 H25 N3 O3 -","- C25 H25 N3 O3 -","- C100 H100 N12 O12 -","4","1","","Thadem, Nagender; Rajesh, Manda; Das, Saibal","Activator free diastereoselective 1,3-dipolar cycloaddition: a quick access to coumarin based spiro multi heterocyclic adducts","RSC Advances","2021","11","48","29934","29938","10.1039/D1RA05070B","","","0.71073","MoKα","","0.1497","0.0677","","","0.1117","0.1328","","","","","","1.042","","","","has coordinates","269085","2021-09-10","01:21:52",""
"7243505","14.0372","0.0002","9.4978","0.0002","14.4733","0.0003","90","","113.232","0.001","90","","1773.15","0.06","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","","Thadem, Nagender; Rajesh, Manda; Das, Saibal","Activator free diastereoselective 1,3-dipolar cycloaddition: a quick access to coumarin based spiro multi heterocyclic adducts","RSC Advances","2021","11","48","29934","29938","10.1039/D1RA05070B","","","0.71073","MoKα","","0.1003","0.0638","","","0.129","0.147","","","","","","1.109","","","","has coordinates","269085","2021-09-10","01:21:52",""
"7243506","26.205","0.011","25.903","0.011","14.652","0.006","90","","90","","90","","9946","7","273","2","273","2","","","","","","","","5","A e a 2","A 2 -2ab","41","","","","- C22 H28 N4.5 O4.5 Zn -","- C23 H30 N2 O6 Zn -","- C368 H480 N32 O96 Zn16 -","16","2","","Basak, Tanmoy; Frontera, Antonio; Chattopadhyay, Shouvik","Synthesis and characterization of a mononuclear zinc(ii) Schiff base complex: on the importance of C–H⋯π interactions","RSC Advances","2021","11","48","30148","30155","10.1039/D1RA03943A","","","0.71073","MoKα","","0.0562","0.046","","","0.1205","0.1315","","","","","","1.061","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7243526","13.4703","0.0003","14.2884","0.0003","9.0192","0.0002","90","","97.198","0.001","90","","1722.24","0.07","180","","180","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Br N3 O -","- C20 H16 Br N3 O -","- C80 H64 Br4 N12 O4 -","4","1","","Zhao, Mengfei; Qin, Zengxin; Zhang, Kaixin; Li, Jizhen","Metal-free site-selective C‒H cyanoalkylation of 8-aminoquinoline and aniline-derived amides with azobisisobutyronitrile","RSC Advances","2021","11","49","30719","30724","10.1039/D1RA06013A","","","0.71073","MoKα","","0.0253","0.0221","","","0.0556","0.0574","","","","","","1.046","","","","has coordinates","269161","2021-09-16","00:57:41",""
"7243528","10.248","0.002","9.092","0.002","20.307","0.006","90","","92.102","0.009","90","","1890.8","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1-Tert-Butyl-3-phenyl-4-(2,4-difluorophenyl)-1,2,4-triazolium perchlorate","","- C18 H18 Cl F2 N3 O4 -","- C18 H18 Cl F2 N3 O4 -","- C72 H72 Cl4 F8 N12 O16 -","4","1","","Glinyanaya, Nataliya V.; Rayenko, Gennady F.; Korotkikh, Nikolai I.; Rusanov, Eduard B.; Ryabitsky, Alexey B.; Shvaika, Oles P.","Halogen-containing heteroaromatic carbenes of the 1,2,4-triazole series and their transformations","RSC Advances","2021","11","49","30841","30848","10.1039/D1RA04337D","","","0.71073","MoKα","","0.1166","0.0761","","","0.2023","0.2327","","","","","","1.042","","","","has coordinates,has disorder","269173","2021-09-17","01:00:49",""
"7243529","12.6541","0.0013","19.843","0.002","18.004","0.002","90","","109.426","0.003","90","","4263.4","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Cu F3 I N3 -","- C19 H18 Cu F3 I N3 -","- C152 H144 Cu8 F24 I8 N24 -","8","2","","Glinyanaya, Nataliya V.; Rayenko, Gennady F.; Korotkikh, Nikolai I.; Rusanov, Eduard B.; Ryabitsky, Alexey B.; Shvaika, Oles P.","Halogen-containing heteroaromatic carbenes of the 1,2,4-triazole series and their transformations","RSC Advances","2021","11","49","30841","30848","10.1039/D1RA04337D","","","0.71073","MoKα","","0.0931","0.0498","","","0.117","0.1435","","","","","","1.005","","","","has coordinates","269173","2021-09-17","01:00:59",""
"7243530","10.4747","0.0002","16.568","0.0004","23.0336","0.0005","90","","90","","90","","3997.36","0.15","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H17 Cu F2 I N3 -","- C18 H17 Cu F2 I N3 -","- C144 H136 Cu8 F16 I8 N24 -","8","1","","Glinyanaya, Nataliya V.; Rayenko, Gennady F.; Korotkikh, Nikolai I.; Rusanov, Eduard B.; Ryabitsky, Alexey B.; Shvaika, Oles P.","Halogen-containing heteroaromatic carbenes of the 1,2,4-triazole series and their transformations","RSC Advances","2021","11","49","30841","30848","10.1039/D1RA04337D","","","0.71073","MoKα","","0.0495","0.0393","","","0.108","0.116","","","","","","1.06","","","","has coordinates","269173","2021-09-17","01:00:59",""
"7243531","5.4869","0.0003","10.1446","0.0006","14.6445","0.0008","101.552","0.004","93.625","0.004","93.431","0.004","794.84","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 F2 N3 -","- C18 H17 F2 N3 -","- C36 H34 F4 N6 -","2","1","","Glinyanaya, Nataliya V.; Rayenko, Gennady F.; Korotkikh, Nikolai I.; Rusanov, Eduard B.; Ryabitsky, Alexey B.; Shvaika, Oles P.","Halogen-containing heteroaromatic carbenes of the 1,2,4-triazole series and their transformations","RSC Advances","2021","11","49","30841","30848","10.1039/D1RA04337D","","","0.71073","MoKα","","0.0986","0.0528","","","0.1177","0.1349","","","","","","1.016","","","","has coordinates","269173","2021-09-17","01:00:59",""
"7243532","18.9632","0.0007","18.2169","0.0007","14.9312","0.0005","90","","110.55","0.0011","90","","4829.8","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H31 Br N3 O6.5 S -","- C21 H24 Br N3 O6.066 S -","- C168 H192 Br8 N24 O48.528 S8 -","8","1","","Glinyanaya, Nataliya V.; Rayenko, Gennady F.; Korotkikh, Nikolai I.; Rusanov, Eduard B.; Ryabitsky, Alexey B.; Shvaika, Oles P.","Halogen-containing heteroaromatic carbenes of the 1,2,4-triazole series and their transformations","RSC Advances","2021","11","49","30841","30848","10.1039/D1RA04337D","","","0.71073","MoKα","","0.0715","0.049","","","0.1391","0.1591","","","","","","1.046","","","","has coordinates,has disorder","269173","2021-09-17","01:00:59",""
"7243533","12.1829","0.001","14.9798","0.0013","15.5382","0.0013","67.68","0.003","69.005","0.003","67.206","0.003","2343.1","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H16 Ce O8 -","- C29 H16 Ce O8 -","- C58 H32 Ce2 O16 -","2","1","","Wu, Xiaoling; Li, Zi-Jian; Zhou, He; Li, Lin; Qian, Zhenghua; Qian, Nan; Chu, Xinxin; Liu, Wei","A microporous Ce-based MOF with the octahedron cage for highly selective adsorption towards xenon over krypton","RSC Advances","2021","11","49","30918","30924","10.1039/D1RA04824D","","","0.71073","MoKα","","0.048","0.0434","","","0.1213","0.1235","","","","","","1.081","","","","has coordinates","269202","2021-09-18","01:20:49",""
"7243570","21.521","0.004","11.299","0.002","6.774","0.0014","90","","90","","90","","1647.2","0.5","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","Ethyl (1S,2S,6S)-1-acetyl-2-hydroxy-5-oxo-6-(2-oxo-2-phenylethyl)cyclohex-3-ene-1-carboxylate","","- C19 H20 O6 -","- C19 H20 O6 -","- C76 H80 O24 -","4","1","","Wang, Tingshu; Zhang, Miao; Zheng, Yifan; Seong, Junmo; Lah, Myoung Soo; Koo, Sangho","Furan oxidation by Mn(iii)/Co(ii) catalysts ‒ application to benzofuran synthesis","RSC Advances","2021","11","50","31395","31399","10.1039/D1RA05305A","","","0.71073","MoKα","","0.0623","0.049","","","0.1051","0.1168","","","","","","1.07","","","","has coordinates","269251","2021-09-23","01:08:06",""
"7243571","7.6292","0.0015","18.955","0.004","27.164","0.005","90","","91.56","0.03","90","","3926.8","1.3","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","Ethyl (1R,2S,6S)-1-acetyl-2-hydroxy-6-(2-(naphthalen-2-yl)-2-oxoethyl)-5-oxocyclohex-3-ene-1-carboxylate","","- C23 H22 O6 -","- C23 H21.5 O6 -","- C184 H172 O48 -","8","4","","Wang, Tingshu; Zhang, Miao; Zheng, Yifan; Seong, Junmo; Lah, Myoung Soo; Koo, Sangho","Furan oxidation by Mn(iii)/Co(ii) catalysts – application to benzofuran synthesis","RSC Advances","2021","11","50","31395","31399","10.1039/D1RA05305A","","","0.71073","MoKα","","0.2201","0.1254","","","0.2485","0.2908","","","","","","1.072","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7243572","7.9677","0.0016","8.9993","0.0018","24.879","0.005","90","","98.37","0.03","90","","1764.9","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl (2R,3aR,4S,5S)-4-acetyl-2-(4-nitrophenyl)-6-oxohexahydro-2,5-methanobenzo[d][1,3]dioxole-4-carboxylate","","- C19 H19 N O8 -","- C19 H19 N O8 -","- C76 H76 N4 O32 -","4","1","","Wang, Tingshu; Zhang, Miao; Zheng, Yifan; Seong, Junmo; Lah, Myoung Soo; Koo, Sangho","Furan oxidation by Mn(iii)/Co(ii) catalysts ‒ application to benzofuran synthesis","RSC Advances","2021","11","50","31395","31399","10.1039/D1RA05305A","","","0.71073","MoKα","","0.0819","0.0584","","","0.1197","0.1306","","","","","","1.085","","","","has coordinates","269251","2021-09-23","01:08:06",""
"7243624","8.24","0.0002","34.3199","0.0008","12.7556","0.0003","90","","93.197","0.001","90","","3601.62","0.15","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H120 N15 O6 V3 -","- C57 H120 N15 O6 V3 -","- C114 H240 N30 O12 V6 -","2","0.5","","Kikukawa, Yuji; Kawabata, Hiroko; Hayashi, Yoshihito","Synthesis of cyanooxovanadate and cyanosilylation of ketones","RSC Advances","2021","11","50","31688","31692","10.1039/D1RA05879G","","","1.54178","CuKα","","0.0835","0.0711","","","0.1832","0.194","","","","","","1.058","","","","has coordinates,has disorder","269357","2021-09-29","01:28:56",""
"7243625","10.4592","0.0006","11.9988","0.0007","12.1578","0.0007","95.789","0.001","97.053","0.001","91.219","0.001","1505.63","0.15","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H32 Cd N4 O7 -","- C31 H32 Cd N4 O7 -","- C62 H64 Cd2 N8 O14 -","2","1","","Chi, Jie; Mu, Yajun; Li, Yan; Shao, Pengpeng; Liu, Guocheng; Cai, Bin; Xu, Na; Chen, Yongqiang","Polytorsional-amide/carboxylates-directed Cd(ii) coordination polymers exhibiting multi-functional sensing behaviors","RSC Advances","2021","11","50","31756","31765","10.1039/D1RA04411G","","x-ray","0.71073","MoKα","K-L~3~","0.0585","0.0387","","","0.0757","0.0842","","","","","","1.006","","","","has coordinates","269358","2021-09-29","01:30:09",""
"7243626","9.3563","0.0018","9.873","0.002","17.234","0.003","77.943","0.004","75.068","0.004","71.533","0.004","1444.9","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C31.03 H30.55 Cd Cl0.24 N4 O5.52 -","- C31.032 H30.548 Cd Cl0.242 N4 O5.516 -","- C62.064 H61.096 Cd2 Cl0.484 N8 O11.032 -","2","1","","Chi, Jie; Mu, Yajun; Li, Yan; Shao, Pengpeng; Liu, Guocheng; Cai, Bin; Xu, Na; Chen, Yongqiang","Polytorsional-amide/carboxylates-directed Cd(ii) coordination polymers exhibiting multi-functional sensing behaviors","RSC Advances","2021","11","50","31756","31765","10.1039/D1RA04411G","","","0.71073","MoKα","","0.1092","0.0619","","","0.1307","0.1521","","","","","","0.999","","","","has coordinates,has disorder","269358","2021-09-29","01:30:14",""
"7243627","8.9887","0.0003","10.5199","0.0004","17.3822","0.0006","79.35","0.001","76.852","0.001","67.523","0.001","1470.22","0.09","293.15","","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 Cd N4 O7 -","- C30 H28 Cd N4 O6 -","- C60 H56 Cd2 N8 O12 -","2","1","","Chi, Jie; Mu, Yajun; Li, Yan; Shao, Pengpeng; Liu, Guocheng; Cai, Bin; Xu, Na; Chen, Yongqiang","Polytorsional-amide/carboxylates-directed Cd(ii) coordination polymers exhibiting multi-functional sensing behaviors","RSC Advances","2021","11","50","31756","31765","10.1039/D1RA04411G","","x-ray","0.71073","MoKα","K-L~3~","0.0313","0.0255","","","0.062","0.065","","","","","","1.021","","","","has coordinates,has disorder","269358","2021-09-29","01:30:25",""
"7243641","9.8374","0.0005","13.8773","0.0007","14.1652","0.0008","90","","93.26","0.005","90","","1930.65","0.18","298","","298","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C8 H41 Cu2 Mo7 N7 O31.5 V -","- C8 H41 Cu2 Mo7 N7 O31.5 V -","- C16 H82 Cu4 Mo14 N14 O63 V2 -","2","0.5","","Buvailo, Halyna I.; Makhankova, Valeriya G.; Kokozay, Vladimir N.; Omelchenko, Iryna V.; Shishkina, Svitlana V.; Bieńko, Alina; Pavliuk, Mariia V.; Shylin, Sergii I.","Hybrid compound based on diethylenetriaminecopper(ii) cations and scarce V-monosubstituted β-octamolybdate as water oxidation catalyst","RSC Advances","2021","11","51","32119","32125","10.1039/D1RA05030C","","x-ray","0.71073","MoKα","","0.0879","0.0573","","","0.1405","0.1721","","","","","","1.054","","","","has coordinates,has disorder","269395","2021-09-30","01:44:38",""
"7243642","7.7587","0.0005","18.0168","0.0012","19.756","0.0013","104.844","0.002","98.14","0.002","92.385","0.002","2633.8","0.3","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 N2 O3 S -","- C19 H18 N2 O3 S -","- C114 H108 N12 O18 S6 -","6","3","","Luo, Xiai; Zhao, Yu; Tao, Susu; Yang, Zhong-Tao; Luo, Hui; Yang, Weiguang","A simple and efficient copper-catalyzed three-component reaction to synthesize (Z)-1,2-dihydro-2-iminoquinolines","RSC Advances","2021","11","50","31152","31158","10.1039/D1RA06330H","","","0.71073","MoKα","","0.0924","0.05","","","0.1086","0.1243","","","","","","1.026","","","","has coordinates","269396","2021-09-30","01:45:47",""
"7243643","33.074","0.019","7.648","0.004","16.25","0.009","90","","111.766","0.006","90","","3817","4","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 N2 O4 S -","- C20 H22 N2 O4 S -","- C160 H176 N16 O32 S8 -","8","1","","Luo, Xiai; Zhao, Yu; Tao, Susu; Yang, Zhong-Tao; Luo, Hui; Yang, Weiguang","A simple and efficient copper-catalyzed three-component reaction to synthesize (Z)-1,2-dihydro-2-iminoquinolines","RSC Advances","2021","11","50","31152","31158","10.1039/D1RA06330H","","","0.71073","MoKα","","0.0477","0.0391","","","0.1047","0.1114","","","","","","1.036","","","","has coordinates","269396","2021-09-30","01:46:02",""
"7243644","10.929","0.018","10.763","0.018","15.62","0.03","90","","109.953","0.017","90","","1727","5","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 N2 O3 S -","- C19 H18 N2 O3 S -","- C76 H72 N8 O12 S4 -","4","1","","Luo, Xiai; Zhao, Yu; Tao, Susu; Yang, Zhong-Tao; Luo, Hui; Yang, Weiguang","A simple and efficient copper-catalyzed three-component reaction to synthesize (Z)-1,2-dihydro-2-iminoquinolines","RSC Advances","2021","11","50","31152","31158","10.1039/D1RA06330H","","","0.71073","MoKα","","0.1629","0.0968","","","0.1674","0.1968","","","","","","1.157","","","","has coordinates","269396","2021-09-30","01:46:20",""
"7243645","12.3959","0.0011","23.352","0.002","11.4368","0.001","90","","95.28","0.007","90","","3296.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 Cl2 Fe N2 P -","- C12 H21 Cl2 Fe N2 P -","- C96 H168 Cl16 Fe8 N16 P8 -","8","2","","Blahut, Jan; Benda, Ladislav; Lejeune, Arthur L.; Sanders, Kevin J.; Burcher, Benjamin; Jeanneau, Erwann; Proriol, David; Catita, Leonor; Breuil, Pierre-Alain R.; Quoineaud, Anne-Agathe; Pell, Andrew J.; Pintacuda, Guido","Proton-detected fast-magic-angle spinning NMR of paramagnetic inorganic solids","RSC Advances","2021","11","47","29870","29876","10.1039/D1RA04110J","","x-ray","0.71073","MoKα","","0.0764","0.0617","","","0.1544","0.1697","","","","","","1.053","","","","has coordinates","269397","2021-09-30","01:47:20",""
"7243646","7.4967","0.0002","10.2891","0.0003","20.1177","0.0005","79.821","0.001","87.171","0.001","74.152","0.001","1469.28","0.07","90","","90","","","","","","","","","7","P -1","-P 1","2","","","","- C25 H33 Cl2 K N6 O3 Pt -","- C25 H33 Cl2 K N6 O3 Pt -","- C50 H66 Cl4 K2 N12 O6 Pt2 -","2","1","","Shigeta, Yasuhiro; Nanko, Ryota; Amemori, Shogo; Mizuno, Motohiro","Coordination-based vapochromic behavior of a luminescent Pt(ii) complex with potassium ions","RSC Advances","2021","11","48","30046","30053","10.1039/D1RA05236E","","","1.54178","CuKα","","0.027","0.0251","","","0.0622","0.0633","","","","","","1.051","","","","has coordinates,has disorder","269398","2021-09-30","01:47:56",""
"7243647","41.7895","0.0009","8.5044","0.0002","21.2104","0.0004","90","","107.837","0.001","90","","7175.7","0.3","90","","90","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C15.25 H11.25 Cl2 K N3.75 O0.75 Pt -","- C15.25 H11.25 Cl2 K N3.75 O0.75 Pt -","- C244 H180 Cl32 K16 N60 O12 Pt16 -","16","4","","Shigeta, Yasuhiro; Nanko, Ryota; Amemori, Shogo; Mizuno, Motohiro","Coordination-based vapochromic behavior of a luminescent Pt(ii) complex with potassium ions","RSC Advances","2021","11","48","30046","30053","10.1039/D1RA05236E","","","1.54178","CuKα","","0.0394","0.0335","","","0.0793","0.085","","","","","","1.064","","","","has coordinates","269398","2021-09-30","01:47:57",""
"7243680","12.125","0.003","26.995","0.005","21.902","0.005","90","","90.493","0.012","90","","7169","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C160 H176 Ag8 O12 Pt4 S16 -","- C140 H172 Ag8 Pt4 S16 -","- C280 H344 Ag16 Pt8 S32 -","2","0.25","","Cheng, Xinglian; Sui, Xin; Xu, Jiayu; Liu, Xu; Chen, Mingyang; Zhu, Yan","On the photocatalysis evolution of heteroatom-doped Ag4M2 nanoclusters","RSC Advances","2021","11","52","32526","32532","10.1039/D1RA06388J","","","0.71073","MoKα","","0.0517","0.0293","","","0.052","0.059","","","","","","0.977","","","","has coordinates","269556","2021-10-05","01:20:40",""
"7243696","15.9927","0.0004","15.9927","0.0004","12.1188","0.0004","90","","90","","90","","3099.58","0.15","101","","101","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C8 H8 O2 Te0.5 -","- C8 H8 O2 Te0.5 -","- C128 H128 O32 Te8 -","16","1","","Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi","One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates","RSC Advances","2021","11","52","32837","32840","10.1039/D1RA06150J","","","0.71073","MoKα","","0.0502","0.0399","","","0.0958","0.0997","","","","","","0.992","","","","has coordinates","269815","2021-10-07","01:34:34",""
"7243697","16.7448","0.0002","16.7448","0.0002","11.7851","0.0003","90","","90","","90","","3304.4","0.1","114","","114","","","","","","","","","5","I 41","I 4bw","80","","","","- C8 H7 F O2 Te0.5 -","- C8 H7 F O2 Te0.5 -","- C128 H112 F16 O32 Te8 -","16","2","","Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi","One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates","RSC Advances","2021","11","52","32837","32840","10.1039/D1RA06150J","","x-ray","0.71073","MoKα","","0.0275","0.0193","","","0.0396","0.0419","","","","","","1.033","","","","has coordinates","269815","2021-10-07","01:34:34",""
"7243698","9.5423","0.0003","11.037","0.0003","11.4973","0.0003","115.288","0.003","104.367","0.003","91.682","0.002","1047.86","0.06","108","","108","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 O4 Te -","- C22 H28 O4 Te -","- C44 H56 O8 Te2 -","2","1","","Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi","One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates","RSC Advances","2021","11","52","32837","32840","10.1039/D1RA06150J","","x-ray","0.71073","MoKα","","0.0279","0.0231","","","0.0422","0.0485","","","","","","1.091","","","","has coordinates","269815","2021-10-07","01:34:34",""
"7243699","9.6945","0.0006","11.7224","0.0007","11.8645","0.0007","116.648","0.006","106.361","0.005","90.992","0.005","1139.96","0.14","108","","108","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 F6 O4 Te -","- C22 H22 F6 O4 Te -","- C44 H44 F12 O8 Te2 -","2","1","","Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi","One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates","RSC Advances","2021","11","52","32837","32840","10.1039/D1RA06150J","","x-ray","0.71073","MoKα","","0.0502","0.0386","","","0.086","0.0909","","","","","","1.023","","","","has coordinates","269815","2021-10-07","01:34:34",""
"7243700","19.5971","0.0008","10.3078","0.0002","19.7804","0.0008","90","","117.086","0.005","90","","3557.5","0.3","108","","108","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C16 H10 F6 O4 Te -","- C16 H10 F6 O4 Te -","- C128 H80 F48 O32 Te8 -","8","4","","Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi","One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates","RSC Advances","2021","11","52","32837","32840","10.1039/D1RA06150J","","x-ray","0.71073","MoKα","","0.0407","0.0333","","","0.0964","0.1201","","","","","","1.068","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7243701","9.4353","0.0003","11.8064","0.0004","16.9075","0.0005","90","","101.416","0.003","90","","1846.18","0.1","112.3","","112.3","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O6 Te -","- C18 H20 O6 Te -","- C72 H80 O24 Te4 -","4","1","","Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi","One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates","RSC Advances","2021","11","52","32837","32840","10.1039/D1RA06150J","","x-ray","0.71073","MoKα","","0.0416","0.0286","","","0.0534","0.0668","","","","","","1.152","","","","has coordinates","269815","2021-10-07","01:34:35",""
"7243702","28.4494","0.0004","11.2159","0.0002","20.254","0.0003","90","","103.136","0.001","90","","6293.65","0.17","103","","103","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C40 H32 O4 Te -","- C40 H32 O4 Te -","- C320 H256 O32 Te8 -","8","2","","Shibuya, Yuga; Toyoda, Anna; Ohmura, Shiori; Higashikawa, Go; Koguchi, Shinichi","One-pot synthesis, structural analysis, and oxidation applications of a series of diaryltellurium dicarboxylates","RSC Advances","2021","11","52","32837","32840","10.1039/D1RA06150J","","x-ray","0.71073","MoKα","","0.0341","0.0264","","","0.0538","0.056","","","","","","1.029","","","","has coordinates","269815","2021-10-07","01:34:35",""
"7243786","5.6526","0.0002","10.0371","0.0003","36.8324","0.0015","90","","90","","90","","2089.71","0.13","150.01","0.1","150.01","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 O S2 -","- C26 H24 O S2 -","- C104 H96 O4 S8 -","4","1","","Zhou, Lu; Chen, Zhaopeng; Li, Jiahui; Li, Baolin","Synthesis of dithienofurans via cascade copper catalysed dual C–S coupling and ring closure reactions under mild conditions","RSC Advances","2021","11","54","34071","34078","10.1039/D1RA06881D","","x-ray","1.54184","CuKα","","0.0533","0.048","","","0.1297","0.1337","","","","","","1.084","","","","has coordinates","270146","2021-10-29","02:26:26",""
"7243787","16.763","0.002","5.691","0.001","7.7824","0.0011","90","","97.279","0.014","90","","736.44","0.19","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,6-diphenyldithieno[3,2-b:2',3'-d]furan","","","- C20 H12 O S2 -","- C20 H12 O S2 -","- C40 H24 O2 S4 -","2","0.5","","Zhou, Lu; Chen, Zhaopeng; Li, Jiahui; Li, Baolin","Synthesis of dithienofurans via cascade copper catalysed dual C–S coupling and ring closure reactions under mild conditions","RSC Advances","2021","11","54","34071","34078","10.1039/D1RA06881D","","x-ray","0.71073","MoKα","","0.094","0.061","","","0.1248","0.1449","","","","","","1.046","","","","has coordinates,has disorder","270146","2021-10-29","02:26:32",""
"7243788","9.2214","0.0003","11.7385","0.0004","13.033","0.0004","72.325","0.003","75.768","0.003","86.988","0.003","1302.54","0.08","293","2","293","2","","","","","","","","8","P 1","P 1","1","","","","- C47 H60 Au2 B F7 N8 O5 S -","- C47 H60 Au2 B F7 N8 O5 S -","- C47 H60 Au2 B F7 N8 O5 S -","1","1","","Kariuki, Benson M.; Platts, James A.; Newman, Paul D.","A hybrid bipy–NHC ligand for the construction of group 11 mixed-metal bimetallic complexes","RSC Advances","2021","11","54","34170","34173","10.1039/D1RA06581E","","","0.71073","MoKα","","0.0407","0.033","","","0.0623","0.0663","","","","","","1.023","","","","has coordinates,has disorder","270147","2021-10-29","02:27:10",""
"7243789","12.5502","0.0006","26.5936","0.0006","13.7021","0.0005","90","","114.813","0.005","90","","4151","0.3","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C40 H48 Ag Au B2 F8 N8 -","- C40 H48 Ag Au B2 F8 N8 -","- C160 H192 Ag4 Au4 B8 F32 N32 -","4","2","","Kariuki, Benson M.; Platts, James A.; Newman, Paul D.","A hybrid bipy–NHC ligand for the construction of group 11 mixed-metal bimetallic complexes","RSC Advances","2021","11","54","34170","34173","10.1039/D1RA06581E","","","0.71073","MoKα","","0.0515","0.0382","","","0.074","0.0807","","","","","","1.039","","","","has coordinates,has disorder","270147","2021-10-29","02:27:10",""
"7243790","20.9037","0.0012","19.7169","0.0012","15.8376","0.001","90","","91.467","0.003","90","","6525.4","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","Gold 3-formyl-5,10,15-tris(p-fluorophenyl)corrole","","- C38 H20 Au F3 N4 O -","- C38 H20 Au F3 N4 O -","- C304 H160 Au8 F24 N32 O8 -","8","1","","Einrem, Rune F.; Jonsson, Einar Torfi; Teat, Simon J.; Settineri, Nicholas S.; Alemayehu, Abraham B.; Ghosh, Abhik","Regioselective formylation of rhenium-oxo and gold corroles: substituent effects on optical spectra and redox potentials","RSC Advances","2021","11","54","34086","34094","10.1039/D1RA05525A","","","0.7288","synchrotron","","0.0453","0.0377","","","0.0958","0.1001","","","","","","1.069","","","","has coordinates","270148","2021-10-29","02:27:52",""
"7243791","9.5807","0.0004","12.6649","0.0006","29.1467","0.0013","95.279","0.002","91.627","0.002","90.341","0.002","3520.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","Rhenium-oxo 3,17-diformyl-5,10,15-tris(p-methylphenyl)corrole","","- C45 H36 N4 O3 Re -","- C45 H36 N4 O3 Re -","- C180 H144 N16 O12 Re4 -","4","2","","Einrem, Rune F.; Jonsson, Einar Torfi; Teat, Simon J.; Settineri, Nicholas S.; Alemayehu, Abraham B.; Ghosh, Abhik","Regioselective formylation of rhenium-oxo and gold corroles: substituent effects on optical spectra and redox potentials","RSC Advances","2021","11","54","34086","34094","10.1039/D1RA05525A","","","0.7288","synchrotron","","0.0361","0.0312","","","0.0648","0.0667","","","","","","1.092","","","","has coordinates,has disorder","270148","2021-10-29","02:27:52",""
"7243792","13.9398","0.0002","14.0767","0.0002","14.8978","0.0002","92.2809","0.0005","116.681","0.0004","113.637","0.0004","2305.01","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H105 Eu N5 O37 Si8 Tb3 -","- C70 H105 Eu N5 O37 Si8 Tb3 -","- C70 H105 Eu N5 O37 Si8 Tb3 -","1","0.5","","Nigoghossian, Karina; Kulakova, Alena N.; Félix, Gautier; Khrustalev, Victor N.; Shubina, Elena S.; Long, Jérôme; Guari, Yannick; Sene, Saad; Carlos, Luís D.; Bilyachenko, Alexey N.; Larionova, Joulia","Temperature sensing in Tb3+/Eu3±based tetranuclear silsesquioxane cages with tunable emission","RSC Advances","2021","11","55","34735","34741","10.1039/D1RA06755A","","","0.71073","MoKα","","0.0287","0.0204","","","0.0419","0.0443","","","","","","1.016","","","","has coordinates,has disorder","270149","2021-10-29","02:28:24",""
"7243793","13.2636","0.0007","13.3247","0.0007","16.0584","0.0008","67.984","0.001","85.33","0.001","80.109","0.001","2591.5","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C80 H110 Eu2 N14 O36 Si8 Tb2 -","- C80 H110 Eu2 N14 O36 Si8 Tb2 -","- C80 H110 Eu2 N14 O36 Si8 Tb2 -","1","0.5","","Nigoghossian, Karina; Kulakova, Alena N.; Félix, Gautier; Khrustalev, Victor N.; Shubina, Elena S.; Long, Jérôme; Guari, Yannick; Sene, Saad; Carlos, Luís D.; Bilyachenko, Alexey N.; Larionova, Joulia","Temperature sensing in Tb3+/Eu3±based tetranuclear silsesquioxane cages with tunable emission","RSC Advances","2021","11","55","34735","34741","10.1039/D1RA06755A","","","0.71073","MoKα","","0.0304","0.0275","","","0.0655","0.0671","","","","","","1.059","","","","has coordinates,has disorder","270149","2021-10-29","02:28:24",""
"7243794","13.9073","0.001","14.243","0.001","14.994","0.0011","118.151","0.001","99.052","0.002","103.126","0.002","2426.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H24 N0 O21 S3 Tb2 -","- C42 H24 O21 S3 Tb2 -","- C84 H48 O42 S6 Tb4 -","2","1","","Liu, Yuqian; Zhao, Peiran; Duan, Chunying; He, Cheng","A novel 3D terbium metal–organic framework as a heterogeneous Lewis acid catalyst for the cyanosilylation of aldehyde","RSC Advances","2021","11","55","34779","34787","10.1039/D1RA06533E","","","0.71073","MoKα","","0.0462","0.0337","","","0.0882","0.0928","","","","","","1.079","","","","has coordinates,has disorder","270150","2021-10-29","02:28:52",""
"7243795","7.5493","0.0003","9.2659","0.0003","9.8603","0.0003","91.084","0.002","104.586","0.001","109.587","0.001","624.83","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H18 N2 O5 -","- C12 H18 N2 O5 -","- C24 H36 N4 O10 -","2","1","","Hussain, Anwar; Mariappan, Kadarkaraisamy; Cork, Dawson C.; Lewandowski, Luke D.; Shrestha, Prem K.; Giri, Samiksha; Wang, Xuejun; Sykes, Andrew G.","A highly selective pyridoxal-based chemosensor for the detection of Zn(ii) and application in live-cell imaging; X-ray crystallography of pyridoxal-TRIS Schiff-base Zn(ii) and Cu(ii) complexes","RSC Advances","2021","11","54","34181","34192","10.1039/D1RA05763D","","","1.54178","CuKα","","0.0534","0.0489","","","0.1446","0.1492","","","","","","1.112","","","","has coordinates,has disorder","270151","2021-10-29","02:29:39",""
"7243796","20.3659","0.0017","8.7855","0.0009","16.9217","0.0019","90","","90","","90","","3027.7","0.5","106","2","106","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H44 N4 O15 Zn -","- C24 H44 N4 O15 Zn -","- C96 H176 N16 O60 Zn4 -","4","1","","Hussain, Anwar; Mariappan, Kadarkaraisamy; Cork, Dawson C.; Lewandowski, Luke D.; Shrestha, Prem K.; Giri, Samiksha; Wang, Xuejun; Sykes, Andrew G.","A highly selective pyridoxal-based chemosensor for the detection of Zn(ii) and application in live-cell imaging; X-ray crystallography of pyridoxal-TRIS Schiff-base Zn(ii) and Cu(ii) complexes","RSC Advances","2021","11","54","34181","34192","10.1039/D1RA05763D","","","0.71073","MoKα","","0.1013","0.0581","","","0.1257","0.1505","","","","","","1.045","","","","has coordinates","270151","2021-10-29","02:29:40",""
"7243797","5.877","0.002","9.125","0.004","18.214","0.008","86.63","0.017","80.725","0.015","74.305","0.014","927.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H18 Cl2 Cu N2 O13 -","- C12 H18 Cl2 Cu N2 O13 -","- C24 H36 Cl4 Cu2 N4 O26 -","2","1","","Hussain, Anwar; Mariappan, Kadarkaraisamy; Cork, Dawson C.; Lewandowski, Luke D.; Shrestha, Prem K.; Giri, Samiksha; Wang, Xuejun; Sykes, Andrew G.","A highly selective pyridoxal-based chemosensor for the detection of Zn(ii) and application in live-cell imaging; X-ray crystallography of pyridoxal-TRIS Schiff-base Zn(ii) and Cu(ii) complexes","RSC Advances","2021","11","54","34181","34192","10.1039/D1RA05763D","","","0.71073","MoKα","","0.1388","0.0793","","","0.1933","0.2299","","","","","","1.031","","","","has coordinates","270151","2021-10-29","02:29:40",""
"7243798","12.8107","0.0004","14.1995","0.0004","25.5626","0.0006","90","","96.566","0.003","90","","4619.5","0.2","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 Cl2 Co N10 O16 -","- C38 H42 Cl2 Co N10 O16 -","- C152 H168 Cl8 Co4 N40 O64 -","4","1","","Oulmidi, Afaf; Radi, Smaail; Idir, Abderrazak; Zyad, Abdelmajid; Kabach, Imad; Nhiri, Mohamed; Robeyns, Koen; Rotaru, Aurelian; Garcia, Yann","Synthesis and cytotoxicity against tumor cells of pincer N-heterocyclic ligands and their transition metal complexes","RSC Advances","2021","11","55","34742","34753","10.1039/D1RA05918A","","","0.71073","MoKα","","0.0542","0.0453","","","0.1225","0.1294","","","","","","1.052","","","","has coordinates,has disorder","270153","2021-10-29","02:31:15",""
"7243799","14.3475","0.0003","25.751","0.0006","13.6655","0.0004","90","","114.2","0.003","90","","4605.2","0.2","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 Cl2 Fe N10 O16.79 -","- C38 H42 Cl2 Fe N10 O16.791 -","- C152 H168 Cl8 Fe4 N40 O67.164 -","4","1","","Oulmidi, Afaf; Radi, Smaail; Idir, Abderrazak; Zyad, Abdelmajid; Kabach, Imad; Nhiri, Mohamed; Robeyns, Koen; Rotaru, Aurelian; Garcia, Yann","Synthesis and cytotoxicity against tumor cells of pincer N-heterocyclic ligands and their transition metal complexes","RSC Advances","2021","11","55","34742","34753","10.1039/D1RA05918A","","","0.71073","MoKα","","0.0881","0.0652","","","0.1625","0.178","","","","","","1.094","","","","has coordinates,has disorder","270153","2021-10-29","02:31:28",""
"7243800","30.3293","0.0006","30.3293","0.0006","13.6082","0.0004","90","","90","","120","","10840.7","0.4","297","2","297","2","","","","","","","","6","R -3 c :H","-R 3 2""c","167","","","","- C19 H21 Cl2 Mn N5 O4 -","- C19 H21 Cl2 Mn N5 O4 -","- C342 H378 Cl36 Mn18 N90 O72 -","18","0.5","","Oulmidi, Afaf; Radi, Smaail; Idir, Abderrazak; Zyad, Abdelmajid; Kabach, Imad; Nhiri, Mohamed; Robeyns, Koen; Rotaru, Aurelian; Garcia, Yann","Synthesis and cytotoxicity against tumor cells of pincer N-heterocyclic ligands and their transition metal complexes","RSC Advances","2021","11","55","34742","34753","10.1039/D1RA05918A","","","0.71073","MoKα","","0.0334","0.0313","","","0.083","0.0844","","","","","","1.077","","","","has coordinates,has disorder","270153","2021-10-29","02:31:29",""
"7243801","29.5243","0.0011","13.8841","0.0004","22.5685","0.0009","90","","105.786","0.004","90","","8902.3","0.6","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H42 Cl2 N10 Ni O16 -","- C38 H42 Cl2 N10 Ni O16 -","- C304 H336 Cl16 N80 Ni8 O128 -","8","1","","Oulmidi, Afaf; Radi, Smaail; Idir, Abderrazak; Zyad, Abdelmajid; Kabach, Imad; Nhiri, Mohamed; Robeyns, Koen; Rotaru, Aurelian; Garcia, Yann","Synthesis and cytotoxicity against tumor cells of pincer N-heterocyclic ligands and their transition metal complexes","RSC Advances","2021","11","55","34742","34753","10.1039/D1RA05918A","","","0.71073","MoKα","","0.04","0.0369","","","0.0931","0.0953","","","","","","1.039","","","","has coordinates,has disorder","270153","2021-10-29","02:31:32",""
"7243802","9.945","0.006","18.098","0.008","18.778","0.01","91.599","0.015","94.106","0.017","104.334","0.016","3262","3","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C45 H32 N4 -","- C45 H32 N4 -","- C180 H128 N16 -","4","2","","Kim, Min-Ji; Ahn, Mina; Chae, Minjung; Kim, Sanghyun; Kim, Daehoon; Wee, Kyung-Ryang","meta-Terphenyl linked donor–π–acceptor dyads: intramolecular charge transfer controlled by electron acceptor group tuning","RSC Advances","2021","11","55","34945","34954","10.1039/D1RA06602A","","","0.71073","MoKα","","0.2074","0.0725","","","0.1612","0.2514","","","","","","1.062","","","","has coordinates","270154","2021-10-29","02:32:19",""
"7243809","7.422","0.0003","25.734","0.001","13.2847","0.0008","90","","100.008","0.005","90","","2498.7","0.2","180","2","180","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 Eu2 N6 O10 -","- C24 H18 Eu2 N6 O10 -","- C96 H72 Eu8 N24 O40 -","4","1","","Hassan, Sadaf ul; Farid, Muhammad Asim; Wang, Yingxia","A series of lanthanide–quinoxaline-2,3(1H,4H)-dione complexes containing 1D chiral Ln2O3 (Ln = Eu, Tb, Sm, Dy) chains: luminescent properties and response to small molecules","RSC Advances","2021","11","53","33309","33318","10.1039/D1RA05719G","","","0.71073","MoKα","","0.088","0.0543","","","0.1054","0.1199","","","","","","1.09","","","","has coordinates","270176","2021-10-30","01:20:35",""
"7243810","8.6416","0.0007","11.0188","0.0009","18.0722","0.0014","93.734","0.006","90.935","0.006","95.221","0.006","1709.6","0.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 F6 N2 O -","- C18 H12 F6 N2 O -","- C72 H48 F24 N8 O4 -","4","2","","Shchegolkov, Evgeny V.; Burgart, Yanina V.; Matsneva, Daria A.; Borisevich, Sophia S.; Kadyrova, Renata A.; Orshanskaya, Iana R.; Zarubaev, Vladimir V.; Saloutin, Victor I.","Polyfluoroalkylated antipyrines in Pd-catalyzed transformations","RSC Advances","2021","11","56","35174","35181","10.1039/D1RA06967E","","","0.71073","MoKα","","0.1583","0.0569","","","0.1228","0.1816","","","","","","0.973","","","","has coordinates,has disorder","270183","2021-11-01","02:06:59",""
"7243850","18.2332","0.0017","7.3341","0.0006","25.197","0.002","90","","101.888","0.004","90","","3297.2","0.5","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H18 N2 O3 S -","- C15 H18 N2 O3 S -","- C120 H144 N16 O24 S8 -","8","1","","Dowarah, Jayanta; Patel, Devanshi; Marak, Brilliant N.; Yadav, Umesh Chand Singh; Shah, Pramod Kumar; Shukla, Pradeep Kumar; Singh, Ved Prakash","Green synthesis, structural analysis and anticancer activity of dihydropyrimidinone derivatives","RSC Advances","2021","11","57","35737","35753","10.1039/D1RA03969E","","","0.71073","MoKα","","0.0764","0.0636","","","0.1885","0.2033","","","","","","1.0714","","","","has coordinates","270323","2021-11-05","02:33:31",""
"7243851","7.3066","0.0006","10.4657","0.0008","10.6788","0.0009","107.568","0.003","90.583","0.003","107.829","0.002","736.37","0.1","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H15 Cl N2 O2 S -","- C14 H15 Cl N2 O2 S -","- C28 H30 Cl2 N4 O4 S2 -","2","1","","Dowarah, Jayanta; Patel, Devanshi; Marak, Brilliant N.; Yadav, Umesh Chand Singh; Shah, Pramod Kumar; Shukla, Pradeep Kumar; Singh, Ved Prakash","Green synthesis, structural analysis and anticancer activity of dihydropyrimidinone derivatives","RSC Advances","2021","11","57","35737","35753","10.1039/D1RA03969E","","","0.71073","MoKα","","0.0429","0.0384","","","0.1104","0.1156","","","","","","1.076","","","","has coordinates","270323","2021-11-05","02:33:32",""
"7243852","7.3603","0.001","9.4648","0.0012","12.2076","0.0016","74.216","0.004","88.729","0.004","69.819","0.004","765.7","0.18","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 N2 O2 S -","- C15 H18 N2 O2 S -","- C30 H36 N4 O4 S2 -","2","1","","Dowarah, Jayanta; Patel, Devanshi; Marak, Brilliant N.; Yadav, Umesh Chand Singh; Shah, Pramod Kumar; Shukla, Pradeep Kumar; Singh, Ved Prakash","Green synthesis, structural analysis and anticancer activity of dihydropyrimidinone derivatives","RSC Advances","2021","11","57","35737","35753","10.1039/D1RA03969E","","","0.71073","MoKα","","0.0487","0.0423","","","0.1218","0.1298","","","","","","1.0675","","","","has coordinates","270323","2021-11-05","02:33:32",""
"7243853","5.77617","0.00012","28.7775","0.0006","7.41435","0.00013","90","","95.123","0.0019","90","","1227.52","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 F N O2 -","- C16 H10 F N O2 -","- C64 H40 F4 N4 O8 -","4","1","","Aksenov, Alexander V.; Aksenov, Nicolai A.; Kirilov, Nikita K.; Skomorokhov, Anton A.; Aksenov, Dmitrii A.; Kurenkov, Igor A.; Sorokina, Elena A.; Nobi, Mezvah A.; Rubin, Michael","Does electrophilic activation of nitroalkanes in polyphosphoric acid involve formation of nitrile oxides?","RSC Advances","2021","11","57","35937","35945","10.1039/D1RA06503C","","x-ray","1.54184","CuKα","","0.0533","0.0513","","","0.136","0.1374","","","","","","1.072","","","","has coordinates","270324","2021-11-05","02:34:14",""
"7243858","20.327","0.015","23.139","0.016","25.376","0.019","90","","94.941","0.013","90","","11891","15","190","1","190","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","cluster-1","","- C97 H86 N10 Nd2 O32 Zn6 -","- C97 H86 N10 Nd2 O32 Zn6 -","- C388 H344 N40 Nd8 O128 Zn24 -","4","1","","Niu, Mengyu; Yang, Xiaoping; Ma, Yanan; Wang, Chengri; Schipper, Desmond","NIR luminescent detection of quercetin based on an octanuclear Zn(ii)–Nd(iii) salen nanocluster","RSC Advances","2021","11","57","35893","35897","10.1039/D1RA06494K","","","0.71073","MoKα","","0.1499","0.0913","","","0.1995","0.2449","","","","","","1.163","","","","has coordinates","270341","2021-11-06","16:07:03",""
"7243875","7.0308","0.0002","14.1809","0.0004","24.9877","0.0006","90","","92.536","0.001","90","","2488.91","0.12","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Echioidinin","","- C16 H12 O5 -","- C16 H12 O5 -","- C128 H96 O40 -","8","2","","Goel, Narender; Gajbhiye, Rahul L.; Saha, Moumita; Nagendra, Chennuru; Reddy, Araveeti Madhusudhana; Ravichandiran, V.; Das Saha, Krishna; Jaisankar, Parasuraman","A comparative assessment of in vitro cytotoxic activity and phytochemical profiling of Andrographis nallamalayana J.L.Ellis and Andrographis paniculata (Burm. f.) Nees using UPLC-QTOF-MS/MS approach","RSC Advances","2021","11","57","35918","35936","10.1039/D1RA07496B","","x-ray","1.54178","CuKα","","0.0475","0.0463","","","0.1237","0.1248","","","","","","1.113","","","","has coordinates","270539","2021-11-09","02:23:31",""
"7243876","11.5283","0.0007","8.0352","0.0005","24.3766","0.0015","90","","103.495","0.004","90","","2195.7","0.2","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","5,2?,6?-trihydroxy-7-methoxyflavone 2?-O-β-D-glucopyranoside","","- C23 H26 O12 -","- C23 H26 O12 -","- C92 H104 O48 -","4","2","","Goel, Narender; Gajbhiye, Rahul L.; Saha, Moumita; Nagendra, Chennuru; Reddy, Araveeti Madhusudhana; Ravichandiran, V.; Das Saha, Krishna; Jaisankar, Parasuraman","A comparative assessment of in vitro cytotoxic activity and phytochemical profiling of Andrographis nallamalayana J.L.Ellis and Andrographis paniculata (Burm. f.) Nees using UPLC-QTOF-MS/MS approach","RSC Advances","2021","11","57","35918","35936","10.1039/D1RA07496B","","x-ray","1.54178","CuKα","","0.0724","0.0695","","","0.1774","0.1815","","","","","","1.09","","","","has coordinates","270539","2021-11-09","02:23:32",""
"7243877","4.921","0.0011","21.735","0.004","13.1847","0.0011","90","","96.263","0.011","90","","1401.8","0.4","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Skullcapflavone I","","- C17 H14 O6 -","- C17 H14 O6 -","- C68 H56 O24 -","4","1","","Goel, Narender; Gajbhiye, Rahul L.; Saha, Moumita; Nagendra, Chennuru; Reddy, Araveeti Madhusudhana; Ravichandiran, V.; Das Saha, Krishna; Jaisankar, Parasuraman","A comparative assessment of in vitro cytotoxic activity and phytochemical profiling of Andrographis nallamalayana J.L.Ellis and Andrographis paniculata (Burm. f.) Nees using UPLC-QTOF-MS/MS approach","RSC Advances","2021","11","57","35918","35936","10.1039/D1RA07496B","","x-ray","1.54184","CuKα","","0.046","0.0442","","","0.1105","0.112","","","","","","1.066","","","","has coordinates","270539","2021-11-09","02:23:32",""
"7243902","5.8955","0.0001","12.6957","0.0003","15.6399","0.0004","66.206","0.002","86.515","0.002","80.988","0.002","1057.88","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","1,3-Diferrocenyl-2-methylene-4-nitrobutan-1-one","","- C25 H23 Fe2 N O3 -","- C25 H23 Fe2 N O3 -","- C50 H46 Fe4 N2 O6 -","2","1","","Stevanović, Dragana; Bugarinović, Jovana; Pešić, Marko; Todosijević, Anka; Bogdanović, Goran A.; Damljanović, Ivan","Chemoselective synthesis of multifunctional ferrocene-containing derivatives by the cross Rauhut–Currier reaction","RSC Advances","2021","11","57","36208","36214","10.1039/D1RA07619A","","x-ray","0.71073","MoKα","","0.0386","0.0364","","","0.0937","0.0946","","","","","","1.272","","","","has coordinates","270595","2021-11-11","02:31:45",""
"7243922","13.3118","0.0001","18.7973","0.0001","13.9779","0.0001","90","","97.417","0.001","90","","3468.37","0.04","298","2","298.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","N1-phenylcyclohexa-3,5-diene-1,2-diiminebis(2,2'-bipyridine)ruthenium hexafulolophosphate","","","- C32 H26 F12 N6 P2 Ru -","- C32 H26 F12 N6 P2 Ru -","- C128 H104 F48 N24 P8 Ru4 -","4","1","","Tomioka, Nozomi; Nanbu, Shinkoh; Misawa-Suzuki, Tomoyo; Nagao, Hirotaka","N–C bond formation between two anilines coordinated to a ruthenium center in cis-form affording a 3,5-cyclohexadiene-1,2-diimine moiety","RSC Advances","2021","11","58","36644","36650","10.1039/D1RA07736H","","x-ray","1.54184","CuKα","","0.0372","0.0349","","","0.0958","0.0976","","","","","","1.063","","","","has coordinates","270675","2021-11-16","02:33:22",""
"7243923","11.2579","0.0001","17.1076","0.0002","19.0176","0.0002","90","","95.982","0.001","90","","3642.76","0.07","298.15","","298.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","dianilinebis(2,2'-bipyridine)ruthenium bis(trifluoromethanesulfonate)","","","- C34 H30 F6 N6 O6 Ru S2 -","- C34 H30 F6 N6 O6 Ru S2 -","- C136 H120 F24 N24 O24 Ru4 S8 -","4","1","","Tomioka, Nozomi; Nanbu, Shinkoh; Misawa-Suzuki, Tomoyo; Nagao, Hirotaka","N–C bond formation between two anilines coordinated to a ruthenium center in cis-form affording a 3,5-cyclohexadiene-1,2-diimine moiety","RSC Advances","2021","11","58","36644","36650","10.1039/D1RA07736H","","","1.54184","CuKα","","0.0351","0.0324","","","0.0839","0.0857","","","","","","1.068","","","","has coordinates,has disorder","270675","2021-11-16","02:33:23",""
"7243924","10.0063","0.0001","10.2443","0.0002","10.4305","0.0002","114.725","0.002","93.032","0.001","100.152","0.001","946.35","0.03","298.15","","298.15","","","","","","","","","7","P -1","-P 1","2","di(2,6-difluoroaniline)bis(2,2'-bipyridine)ruthenium bis(trifluoromethanesulfonate)","","","- C34 H26 F10 N6 O6 Ru S2 -","- C34 H26 F10 N6 O6 Ru S2 -","- C34 H26 F10 N6 O6 Ru S2 -","1","0.5","","Tomioka, Nozomi; Nanbu, Shinkoh; Misawa-Suzuki, Tomoyo; Nagao, Hirotaka","N–C bond formation between two anilines coordinated to a ruthenium center in cis-form affording a 3,5-cyclohexadiene-1,2-diimine moiety","RSC Advances","2021","11","58","36644","36650","10.1039/D1RA07736H","","","1.54184","CuKα","","0.0557","0.0543","","","0.154","0.1547","","","","","","1.076","","","","has coordinates","270675","2021-11-16","02:33:23",""
"7243925","13.2725","0.0001","13.5131","0.0001","13.7967","0.0001","104.582","0.001","103.059","0.001","116.309","0.001","1977.56","0.04","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","methylphenylcyclohexa-3,5-diene-1,2-diiminebis(2,2'-bipyridine)ruthenium bis(hexafulolophosphate)","","","- C34 H30 F12 N6 P2 Ru -","- C34 H30 F12 N6 P2 Ru -","- C68 H60 F24 N12 P4 Ru2 -","2","1","","Tomioka, Nozomi; Nanbu, Shinkoh; Misawa-Suzuki, Tomoyo; Nagao, Hirotaka","N–C bond formation between two anilines coordinated to a ruthenium center in cis-form affording a 3,5-cyclohexadiene-1,2-diimine moiety","RSC Advances","2021","11","58","36644","36650","10.1039/D1RA07736H","","x-ray","1.54184","CuKα","","0.0523","0.0501","","","0.1416","0.1445","","","","","","1.05","","","","has coordinates","270675","2021-11-16","02:33:24",""
"7243926","11.2388","0.0001","22.2125","0.0003","15.9788","0.0002","90","","91.188","0.001","90","","3988.12","0.08","298.15","","298.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","di(4-methylaniline)bis(2,2'-bipyridine)ruthenium bis(trifluoromethanesulfonate)","","","- C36 H34 F6 N6 O6 Ru S2 -","- C36 H34 F6 N6 O6 Ru S2 -","- C144 H136 F24 N24 O24 Ru4 S8 -","4","1","","Tomioka, Nozomi; Nanbu, Shinkoh; Misawa-Suzuki, Tomoyo; Nagao, Hirotaka","N–C bond formation between two anilines coordinated to a ruthenium center in cis-form affording a 3,5-cyclohexadiene-1,2-diimine moiety","RSC Advances","2021","11","58","36644","36650","10.1039/D1RA07736H","","x-ray","1.54184","CuKα","","0.0613","0.052","","","0.1548","0.1846","","","","","","1.157","","","","has coordinates","270675","2021-11-16","02:33:24",""
"7243927","8.2293","0.0002","10.0168","0.0003","21.787","0.0006","79.927","0.002","88.945","0.002","89.73","0.002","1767.94","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 N O5 -","- C22 H15 N O5 -","- C88 H60 N4 O20 -","4","2","","Mousavi, Seyedeh Hekmat; Mohammadizadeh, Mohammad Reza; Poorsadeghi, Samira; Arimitsu, Satoru; Mohammadsaleh, Fatemeh; Kojya, Genta; Gima, Shinichi","One-pot synthesis of new alkyl 1-naphthoates bearing quinoline, pyranone and cyclohexenone moieties via metal-free sequential addition/oxidation reactions","RSC Advances","2021","11","58","36748","36752","10.1039/D1RA07092D","","","0.71073","MoKα","","0.0922","0.0573","","","0.1296","0.1504","","","","","","1.044","","","","has coordinates","270711","2021-11-17","02:31:50",""
"7243932","13.985","0.0012","25.773","0.002","25.773","0.002","90","","90","","90","","9289.5","1.3","298.15","","298.15","","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C131 H106 Cd9 N6 O54 -","- C131 H106 Cd9 N6 O54 -","- C262 H212 Cd18 N12 O108 -","2","0.25","","Wang, Xiao-Qing; Ma, Xuehui; Feng, Doudou; Wu, Dan; Yang, Jie","A stable Ln(iii)-functionalized Cd(ii)-based metal–organic framework: tunable white-light emission and fluorescent probe for monitoring bilirubin","RSC Advances","2021","11","58","36913","36919","10.1039/D1RA06592K","","","0.71073","MoKα","","0.1463","0.1003","","","0.2973","0.3231","","","","","","1.082","","","","has coordinates","270744","2021-11-18","02:11:36",""
"7243933","11.1603","0.0003","11.9646","0.0003","13.1785","0.0003","81.0129","0.001","70.9839","0.0009","80.0849","0.001","1629.33","0.07","200","","200","","","","101","","","","","4","P -1","-P 1","2","","","","- C66 H88 O8 S6 -","- C66 H88 O8 S6 -","- C66 H88 O8 S6 -","1","0.5","","Kaiser, Lukáš; Landovský, Tomáš; Salvadori, Karolína; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel","Breaking thiacalix[4]arene into pieces – a novel synthetic approach to higher calixarenes bearing mixed (–S–, –CH2–) bridges","RSC Advances","2021","11","58","36934","36941","10.1039/D1RA07464D","","","1.54178","CuKα","","0.0361","0.0333","","0.0822","0.0797","0.0822","","","","","","0.9642","","","","has coordinates,has disorder","270745","2021-11-18","02:12:08",""
"7243934","13.233","0.0003","14.4941","0.0004","14.675","0.0004","71.9424","0.0011","82.1907","0.0011","89.1864","0.0012","2650.05","0.12","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H72 O7 S3 -","- C54 H72 O7 S3 -","- C108 H144 O14 S6 -","2","1","","Kaiser, Lukáš; Landovský, Tomáš; Salvadori, Karolína; Eigner, Václav; Dvořáková, Hana; Lhoták, Pavel","Breaking thiacalix[4]arene into pieces – a novel synthetic approach to higher calixarenes bearing mixed (–S–, –CH2–) bridges","RSC Advances","2021","11","58","36934","36941","10.1039/D1RA07464D","","","1.54178","CuKα","","0.0633","0.055","","0.1527","0.1417","0.1527","","","","","","0.9751","","","","has coordinates,has disorder","270745","2021-11-18","02:12:08",""
"7243958","7.143","0.0012","9.3717","0.0015","13.017","0.002","85.852","0.002","75.893","0.002","89.95","0.002","842.8","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H30 Mn2 N6 O14 -","- C34 H30 Mn2 N6 O14 -","- C34 H30 Mn2 N6 O14 -","1","0.5","","Alizadeh, Hanie; Mirzaei, Masoud; Saljooghi, Amir Sh.; Jodaian, Vida; Bazargan, Maryam; Mague, Joel T.; Gomila, Rosa M.; Frontera, Antonio","Coordination complexes of zinc and manganese based on pyridine-2,5-dicarboxylic acid N-oxide: DFT studies and antiproliferative activities consideration","RSC Advances","2021","11","59","37403","37412","10.1039/D1RA08258B","","","0.71073","MoKα","","0.0913","0.0618","","","0.166","0.1838","","","","","","1.07","","","","has coordinates","270821","2021-11-23","02:18:35",""
"7243959","13.7121","0.0019","17.737","0.003","9.5694","0.0013","90","","93.303","0.002","90","","2323.5","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 N4 O10 Zn -","- C24 H16 N4 O10 Zn -","- C96 H64 N16 O40 Zn4 -","4","1","","Alizadeh, Hanie; Mirzaei, Masoud; Saljooghi, Amir Sh.; Jodaian, Vida; Bazargan, Maryam; Mague, Joel T.; Gomila, Rosa M.; Frontera, Antonio","Coordination complexes of zinc and manganese based on pyridine-2,5-dicarboxylic acid N-oxide: DFT studies and antiproliferative activities consideration","RSC Advances","2021","11","59","37403","37412","10.1039/D1RA08258B","","","0.71073","MoKα","","0.0798","0.049","","","0.1168","0.1298","","","","","","1.047","","","","has coordinates","270821","2021-11-23","02:18:41",""
"7243960","8.5124","0.0009","9.503","0.001","12.0869","0.0013","75.923","0.002","84.467","0.002","80.995","0.002","934.96","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H16 Cl N3 O7 Zn -","- C17 H16 Cl N3 O7 Zn -","- C34 H32 Cl2 N6 O14 Zn2 -","2","1","","Alizadeh, Hanie; Mirzaei, Masoud; Saljooghi, Amir Sh.; Jodaian, Vida; Bazargan, Maryam; Mague, Joel T.; Gomila, Rosa M.; Frontera, Antonio","Coordination complexes of zinc and manganese based on pyridine-2,5-dicarboxylic acid N-oxide: DFT studies and antiproliferative activities consideration","RSC Advances","2021","11","59","37403","37412","10.1039/D1RA08258B","","","0.71073","MoKα","","0.0287","0.0255","","","0.0708","0.0717","","","","","","1.127","","","","has coordinates","270821","2021-11-23","02:18:41",""
"7243963","18.6682","0.0012","15.9603","0.0013","8.1346","0.0005","90","","94.651","0.006","90","","2415.7","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 Br2 N5 Pd -","- C24 H19 Br2 N5 Pd -","- C96 H76 Br8 N20 Pd4 -","4","0.5","","Çakır, Sinem; Kavukcu, Serdar Batıkan; Karabıyık, Hande; Rethinam, Senthil; Türkmen, Hayati","C(acyl)–C(sp2) and C(sp2)–C(sp2) Suzuki–Miyaura cross-coupling reactions using nitrile-functionalized NHC palladium complexes","RSC Advances","2021","11","60","37684","37699","10.1039/D1RA07231E","","x-ray","0.71073","MoKα","","0.0889","0.0416","","","0.0579","0.0705","","","","","","1.012","","","","has coordinates","270848","2021-11-24","02:19:14",""
"7243964","7.4786","0.0009","11.0996","0.0011","11.7959","0.0016","90.731","0.01","100.478","0.01","106.482","0.01","921.1","0.2","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Br2 N4 Pd -","- C17 H16 Br2 N4 Pd -","- C34 H32 Br4 N8 Pd2 -","2","1","","Çakır, Sinem; Kavukcu, Serdar Batıkan; Karabıyık, Hande; Rethinam, Senthil; Türkmen, Hayati","C(acyl)–C(sp2) and C(sp2)–C(sp2) Suzuki–Miyaura cross-coupling reactions using nitrile-functionalized NHC palladium complexes","RSC Advances","2021","11","60","37684","37699","10.1039/D1RA07231E","","x-ray","0.71073","MoKα","","0.1117","0.0637","","","0.2259","0.2555","","","","","","1.065","","","","has coordinates","270848","2021-11-24","02:19:15",""
"7243965","10.0563","0.0005","14.191","0.0009","14.2442","0.0009","72.709","0.005","72.523","0.005","72.84","0.005","1803.4","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 Br2 N3 Pd -","- C16 H17 Br2 N3 Pd -","- C64 H68 Br8 N12 Pd4 -","4","2","","Çakır, Sinem; Kavukcu, Serdar Batıkan; Karabıyık, Hande; Rethinam, Senthil; Türkmen, Hayati","C(acyl)–C(sp2) and C(sp2)–C(sp2) Suzuki–Miyaura cross-coupling reactions using nitrile-functionalized NHC palladium complexes","RSC Advances","2021","11","60","37684","37699","10.1039/D1RA07231E","","x-ray","0.71073","MoKα","","0.1052","0.0488","","","0.0639","0.0792","","","","","","1.003","","","","has coordinates,has disorder","270848","2021-11-24","02:19:15",""
"7243967","8.8611","0.0004","10.6837","0.0005","19.3949","0.001","74.511","0.002","87.898","0.002","89.558","0.002","1768.22","0.15","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H43 Cl2 N3 O3 Ru -","- C38 H43 Cl2 N3 O3 Ru -","- C76 H86 Cl4 N6 O6 Ru2 -","2","1","","Al-Enezi, Mariam Y.; John, Elizabeth; Ibrahim, Yehia A.; Al-Awadi, Nouria A.","Highly efficient Ru(ii)–alkylidene based Hoveyda–Grubbs catalysts for ring-closing metathesis reactions","RSC Advances","2021","11","60","37866","37876","10.1039/D1RA07428H","","","1.54178","CuKα","","0.0282","0.0266","","","0.0675","0.0688","","","","","","1.089","","","","has coordinates","270872","2021-11-25","02:16:09",""
"7243968","28.642","0.0005","28.642","0.0005","24.4463","0.0009","90","","90","","120","","17368","0.8","150","2","150","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C37 H43 Cl2 N3 O3 Ru S -","- C37 H43 Cl2 N3 O3 Ru S -","- C666 H774 Cl36 N54 O54 Ru18 S18 -","18","1","","Al-Enezi, Mariam Y.; John, Elizabeth; Ibrahim, Yehia A.; Al-Awadi, Nouria A.","Highly efficient Ru(ii)–alkylidene based Hoveyda–Grubbs catalysts for ring-closing metathesis reactions","RSC Advances","2021","11","60","37866","37876","10.1039/D1RA07428H","","","1.54178","CuKα","","0.0681","0.0534","","","0.1367","0.1513","","","","","","1.035","","","","has coordinates","270872","2021-11-25","02:16:09",""
"7243969","12.038","0.01","14.886","0.012","24.18","0.019","90","","91.36","0.03","90","","4332","6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H49 Cl4 N3 O4 Ru S -","- C44 H49 Cl4 N3 O4 Ru S -","- C176 H196 Cl16 N12 O16 Ru4 S4 -","4","1","","Al-Enezi, Mariam Y.; John, Elizabeth; Ibrahim, Yehia A.; Al-Awadi, Nouria A.","Highly efficient Ru(ii)–alkylidene based Hoveyda–Grubbs catalysts for ring-closing metathesis reactions","RSC Advances","2021","11","60","37866","37876","10.1039/D1RA07428H","","","0.71075","MoKα","","0.1814","0.0772","","","0.1689","0.2141","","","","","","0.957","","","","has coordinates","270872","2021-11-25","02:16:10",""
"7243982","12.2095","0.0006","12.2629","0.0006","12.3037","0.0006","90","","118.746","0.0017","90","","1615.14","0.14","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 F3 N2 O -","- C19 H15 F3 N2 O -","- C76 H60 F12 N8 O4 -","4","1","","Li, Hong; Peng, Xiangjun; Nie, Liang; Zhou, Lin; Yang, Ming; Li, Fan; Hu, Jian; Yao, Zhiyang; Liu, Liangxian","Graphene oxide-catalyzed trifluoromethylation of alkynes with quinoxalinones and Langlois' reagent","RSC Advances","2021","11","61","38667","38673","10.1039/D1RA07014B","","","0.71076","MoKα","","0.113","0.0713","","","0.1331","0.1474","","","","","","1.097","","","","has coordinates","270972","2021-12-02","02:17:16",""
"7243983","9.144","0.002","14.87","0.003","4.5573","0.001","90","","90","","90","","619.7","0.2","100","","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","ETOH1","","- C5 H4 F N3 O2 -","- C5 H4 F N3 O2 -","- C20 H16 F4 N12 O8 -","4","1","","Tiyasakulchai, Thanat; Charoensetakul, Netnapa; Khamkhenshorngphanuch, Thitiphong; Thongpanchang, Chawanee; Srikun, Onsiri; Yuthavong, Yongyuth; Srimongkolpithak, Nitipol","Scalable synthesis of favipiravir via conventional and continuous flow chemistry","RSC Advances","2021","11","61","38691","38693","10.1039/D1RA06963B","","x-ray","1.54178","CuKα","K-L~3~","0.0363","0.0362","","","0.1059","0.106","","","","","","1.496","","","","has coordinates","270973","2021-12-02","02:17:44",""
"7243984","18.116","0.007","5.561","0.002","18.91","0.007","90","","112.394","0.01","90","","1761.4","1.1","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 F O4 -","- C22 H17 F O4 -","- C88 H68 F4 O16 -","4","1","","Anwar, Shaik; Lin, Li-Tzu; Srinivasadesikan, V.; Gudise, Veera Babu; Chen, Kwunmin","[3+2] regioselective annulation reaction of 2-arylidene-1,3-indandiones towards synthesis of spirocyclopentenes: understanding the mechanism of γ-attack vs. α-attack using DFT studies","RSC Advances","2021","11","61","38648","38653","10.1039/D1RA07165C","","","0.71073","MoKα","","0.1469","0.0561","","","0.0946","0.1191","","","","","","0.959","","","","has coordinates","270974","2021-12-02","02:19:07",""
"7243985","18.038","0.004","5.5757","0.0014","19.59","0.005","90","","111.044","0.006","90","","1838.8","0.8","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Cl O4 -","- C22 H17 Cl O4 -","- C88 H68 Cl4 O16 -","4","1","","Anwar, Shaik; Lin, Li-Tzu; Srinivasadesikan, V.; Gudise, Veera Babu; Chen, Kwunmin","[3+2] regioselective annulation reaction of 2-arylidene-1,3-indandiones towards synthesis of spirocyclopentenes: understanding the mechanism of γ-attack vs. α-attack using DFT studies","RSC Advances","2021","11","61","38648","38653","10.1039/D1RA07165C","","","0.71073","MoKα","","0.1282","0.0587","","","0.1182","0.1409","","","","","","0.978","","","","has coordinates","270974","2021-12-02","02:19:10",""
"7243986","18.073","0.005","5.5804","0.0017","19.888","0.006","90","","109.898","0.008","90","","1886","1","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 Br O4 -","- C22 H17 Br O4 -","- C88 H68 Br4 O16 -","4","1","","Anwar, Shaik; Lin, Li-Tzu; Srinivasadesikan, V.; Gudise, Veera Babu; Chen, Kwunmin","[3+2] regioselective annulation reaction of 2-arylidene-1,3-indandiones towards synthesis of spirocyclopentenes: understanding the mechanism of γ-attack vs. α-attack using DFT studies","RSC Advances","2021","11","61","38648","38653","10.1039/D1RA07165C","","","0.71073","MoKα","","0.1029","0.0502","","","0.0878","0.1052","","","","","","0.971","","","","has coordinates","270974","2021-12-02","02:19:13",""
"7243987","31.098","0.004","8.4741","0.0011","14.651","0.002","90","","97.962","0.004","90","","3823.7","0.9","200","2","200","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H17 N O4 -","- C23 H17 N O4 -","- C184 H136 N8 O32 -","8","1","","Anwar, Shaik; Lin, Li-Tzu; Srinivasadesikan, V.; Gudise, Veera Babu; Chen, Kwunmin","[3+2] regioselective annulation reaction of 2-arylidene-1,3-indandiones towards synthesis of spirocyclopentenes: understanding the mechanism of γ-attack vs. α-attack using DFT studies","RSC Advances","2021","11","61","38648","38653","10.1039/D1RA07165C","","","0.71073","MoKα","","0.1196","0.0741","","","0.1662","0.1901","","","","","","1.047","","","","has coordinates","270974","2021-12-02","02:19:16",""
"7243988","8.833","0.013","6.042","0.011","16.23","0.03","90","","103.32","0.03","90","","843","3","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H16 O4 S -","- C20 H16 O4 S -","- C40 H32 O8 S2 -","2","1","","Anwar, Shaik; Lin, Li-Tzu; Srinivasadesikan, V.; Gudise, Veera Babu; Chen, Kwunmin","[3+2] regioselective annulation reaction of 2-arylidene-1,3-indandiones towards synthesis of spirocyclopentenes: understanding the mechanism of γ-attack vs. α-attack using DFT studies","RSC Advances","2021","11","61","38648","38653","10.1039/D1RA07165C","","","0.71073","MoKα","","0.1624","0.0822","","","0.1383","0.1726","","","","","","0.983","","","","has coordinates","270974","2021-12-02","02:19:26",""
"7243989","11.4044","0.0013","5.5305","0.0007","15.6417","0.0018","90","","95.178","0.007","90","","982.5","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H17 N O4 -","- C23 H17 N O4 -","- C46 H34 N2 O8 -","2","1","","Anwar, Shaik; Lin, Li-Tzu; Srinivasadesikan, V.; Gudise, Veera Babu; Chen, Kwunmin","[3+2] regioselective annulation reaction of 2-arylidene-1,3-indandiones towards synthesis of spirocyclopentenes: understanding the mechanism of γ-attack vs. α-attack using DFT studies","RSC Advances","2021","11","61","38648","38653","10.1039/D1RA07165C","","","0.71073","MoKα","","0.1724","0.0882","","","0.1266","0.1488","","","","","","1.087","","","","has coordinates","270974","2021-12-02","02:19:29",""
"7244000","10.7762","0.0009","7.7571","0.0007","35.821","0.003","90","","90","","90","","2994.4","0.4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H15 Fe N S -","- C19 H15 Fe N S -","- C152 H120 Fe8 N8 S8 -","8","1","","Kulhánek, Jiří; Klikar, Milan; Pytela, Oldřich; R°užičková, Zdenka; Bureš, Filip","Ferrocene donor linked to pyridine/pyridinium acceptor via a systematically enlarged π-linker","RSC Advances","2021","11","61","38804","38813","10.1039/D1RA08186A","","","0.71073","MoKα","","0.0761","0.0473","","","0.0862","0.094","","","","","","1.087","","","","has coordinates","271103","2021-12-04","02:18:33",""
"7244001","10.696","0.004","7.473","0.002","21.224","0.007","90","","94.182","0.013","90","","1691.9","1","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H17 Fe N -","- C23 H17 Fe N -","- C92 H68 Fe4 N4 -","4","2","","Kulhánek, Jiří; Klikar, Milan; Pytela, Oldřich; R°užičková, Zdenka; Bureš, Filip","Ferrocene donor linked to pyridine/pyridinium acceptor via a systematically enlarged π-linker","RSC Advances","2021","11","61","38804","38813","10.1039/D1RA08186A","","","0.71073","MoKα","","0.0601","0.0396","","","0.0694","0.0749","","","","","","1.041","","","","has coordinates","271103","2021-12-04","02:18:33",""
"7244010","10.6","0.04","6.32","0.02","9.48","0.03","90","","96.06","0.03","90","","632","4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H12 B N -","- C4 H12 B N -","- C16 H48 B4 N4 -","4","1","","Giustra, Zachary X.; Chen, Gang; Vasiliu, Monica; Karkamkar, Abhijeet; Autrey, Tom; Dixon, David A.; Liu, Shih-Yuan","A comparison of hydrogen release kinetics from 5- and 6-membered 1,2-BN-cycloalkanes","RSC Advances","2021","11","54","34132","34136","10.1039/D1RA07477F","","","0.71073","MoKα","","0.096","0.071","","","0.1778","0.1964","","","","","","1.075","","","","has coordinates,has disorder","271137","2021-12-06","22:27:48",""
"7244011","7.078","0.007","9.187","0.009","18.233","0.018","90","","90","","90","","1186","2","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H12 B N -","- C4 H12 B N -","- C32 H96 B8 N8 -","8","1","","Giustra, Zachary X.; Chen, Gang; Vasiliu, Monica; Karkamkar, Abhijeet; Autrey, Tom; Dixon, David A.; Liu, Shih-Yuan","A comparison of hydrogen release kinetics from 5- and 6-membered 1,2-BN-cycloalkanes","RSC Advances","2021","11","54","34132","34136","10.1039/D1RA07477F","","","0.71073","MoKα","","0.1547","0.0853","","","0.1888","0.2279","","","","","","1.079","","","","has coordinates","271137","2021-12-06","22:27:49",""
"7244012","9.5116","0.0014","12.6484","0.0018","6.5253","0.0009","90","","90","","90","","785.04","0.19","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C6 H16 B N -","- C6 H16 B N -","- C24 H64 B4 N4 -","4","1","","Giustra, Zachary X.; Chen, Gang; Vasiliu, Monica; Karkamkar, Abhijeet; Autrey, Tom; Dixon, David A.; Liu, Shih-Yuan","A comparison of hydrogen release kinetics from 5- and 6-membered 1,2-BN-cycloalkanes","RSC Advances","2021","11","54","34132","34136","10.1039/D1RA07477F","","","0.71073","MoKα","","0.0338","0.0325","","","0.0899","0.0912","","","","","","1.088","","","","has coordinates","271137","2021-12-06","22:27:49",""
"7244013","8.519","0.003","6.85","0.002","8.309","0.003","90","","90","","90","","484.9","0.3","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C3 H10 B N -","- C3 H10 B N -","- C12 H40 B4 N4 -","4","1","","Giustra, Zachary X.; Chen, Gang; Vasiliu, Monica; Karkamkar, Abhijeet; Autrey, Tom; Dixon, David A.; Liu, Shih-Yuan","A comparison of hydrogen release kinetics from 5- and 6-membered 1,2-BN-cycloalkanes","RSC Advances","2021","11","54","34132","34136","10.1039/D1RA07477F","","","0.71073","MoKα","","0.0599","0.0479","","","0.1187","0.1291","","","","","","1.052","","","","has coordinates,has disorder","271137","2021-12-06","22:27:49",""
"7244032","10.9618","0.0016","28.137","0.003","12.411","0.0018","90","","107.366","0.003","90","","3653.5","0.8","123","","123","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H35 Cl2 N5 O2 P Rh -","- C41 H31 Cl2 N5 O2 P Rh -","- C164 H124 Cl8 N20 O8 P4 Rh4 -","4","1","","Yatabe, Takeshi; Futakuchi, Sayaka; Miyazawa, Keishi; Shimauchi, Daiki; Takahashi, Yukina; Yoon, Ki-Seok; Nakai, Hidetaka; Ogo, Seiji","Reductive C(sp3)–C(sp3) homo-coupling of benzyl or allyl halides with H2 using a water-soluble electron storage catalyst","RSC Advances","2021","11","62","39450","39454","10.1039/D1RA08596D","","","0.71075","MoKα","","0.071","0.0493","","","0.1238","0.1333","","","","","","0.843","","","","has coordinates","271316","2021-12-10","02:01:35",""
"7244033","8.823","0.001","11.1353","0.0008","12.6467","0.0012","64.079","0.008","77.813","0.011","71.596","0.001","1056.45","0.19","123","","123","","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Cl N5 O2 Rh -","- C24 H19 Cl N5 O2 Rh -","- C48 H38 Cl2 N10 O4 Rh2 -","2","1","","Yatabe, Takeshi; Futakuchi, Sayaka; Miyazawa, Keishi; Shimauchi, Daiki; Takahashi, Yukina; Yoon, Ki-Seok; Nakai, Hidetaka; Ogo, Seiji","Reductive C(sp3)–C(sp3) homo-coupling of benzyl or allyl halides with H2 using a water-soluble electron storage catalyst","RSC Advances","2021","11","62","39450","39454","10.1039/D1RA08596D","","","0.71075","MoKα","","0.0506","0.0441","","","0.0984","0.1004","","","","","","0.92","","","","has coordinates","271316","2021-12-10","02:01:37",""
"7244037","21.52","0.05","5.086","0.012","13.68","0.03","90","","90","","90","","1497","6","293","2","293.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","1","","Malik, Manzoor Ahmad; Raza, Md Kausar; Mohammed, Arif; Wani, Mohmmad Younus; Al-Bogami, Abdullah Saad; Hashmi, Athar Adil","Unravelling the anticancer potential of a square planar copper complex: toward non-platinum chemotherapy","RSC Advances","2021","11","62","39349","39361","10.1039/D1RA06227A","","","0.71073","MoKα","","0.0336","0.0293","","","0.071","0.0754","","","","","","0.7678","","","","has coordinates","271338","2021-12-11","02:03:58",""
"7244049","15.6191","0.0001","17.9773","0.0002","15.7336","0.0001","90","","97.817","0.001","90","","4376.77","0.06","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H37 F6 Ir N11 O P -","- C44 H27 F6 Ir N11 P -","- C176 H108 F24 Ir4 N44 P4 -","4","1","","Otaif, Haleema Y.; Adams, Samuel J.; Horton, Peter N.; Coles, Simon J.; Beames, Joseph M.; Pope, Simon J. A.","Bis-cyclometalated iridium(iii) complexes with terpyridine analogues: syntheses, structures, spectroscopy and computational studies","RSC Advances","2021","11","63","39718","39727","10.1039/D1RA07213G","","x-ray","0.71075","MoKα","","0.0356","0.0298","","","0.0697","0.0716","","","","","","1.058","","","","has coordinates","271376","2021-12-14","02:08:09",""
"7244050","20.0555","0.0005","17.4269","0.0003","29.5696","0.0014","90","","108.009","0.004","90","","9828.4","0.6","100","2","100","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C50.5 H41 Cl F6 Ir N10 P -","- C50 H40 F6 Ir N10 P -","- C400 H320 F48 Ir8 N80 P8 -","8","1","","Otaif, Haleema Y.; Adams, Samuel J.; Horton, Peter N.; Coles, Simon J.; Beames, Joseph M.; Pope, Simon J. A.","Bis-cyclometalated iridium(iii) complexes with terpyridine analogues: syntheses, structures, spectroscopy and computational studies","RSC Advances","2021","11","63","39718","39727","10.1039/D1RA07213G","","x-ray","1.54178","CuKα","","0.0729","0.0493","","","0.1284","0.1436","","","","","","1.033","","","","has coordinates","271376","2021-12-14","02:08:12",""
"7244054","5.46724","0.00004","21.5006","0.00015","23.19943","0.00016","90","","90","","90","","2727.07","0.03","100","0.2","100","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H40 N3 O4 P -","- C30 H40 N3 O4 P -","- C120 H160 N12 O16 P4 -","4","1","","Rouh, Hossein; Tang, Yao; Zhang, Sai; Ali, Ahmed I. M.; Surowiec, Kazimierz; Unruh, Daniel; Li, Guigen","Asymmetric [4 + 2] cycloaddition synthesis of 4H-chromene derivatives facilitated by group-assisted-purification (GAP) chemistry","RSC Advances","2021","11","63","39790","39796","10.1039/D1RA08323F","","x-ray","1.54184","CuKα","","0.0272","0.026","","","0.067","0.0676","","","","","","1.049","","","","has coordinates","271433","2021-12-15","02:18:54",""
"7244079","9.427","0.002","11.348","0.003","11.761","0.005","112.635","0.006","97.722","0.006","106.198","0.004","1072.9","0.6","296","2","296","2","","","","","","","","2","P -1","-P 1","2","","9,10-di-p-tolyl-1,2,3,4,5,6,7,8-octahydroanthracene","","- C28 H30 -","- C28 H30 -","- C56 H60 -","2","1","","Han, Bo; Zhang, Miaomiao; Jiao, Hongmei; Ma, Haojie; Wang, Jijiang; Zhang, Yuqi","Ligand-enabled and magnesium-activated hydrogenation with earth-abundant cobalt catalysts","RSC Advances","2021","11","63","39934","39939","10.1039/D1RA07266H","","","0.71073","MoKα","","0.1053","0.0716","","","0.2051","0.2378","","","","","","1.034","","","","has coordinates","271465","2021-12-16","02:20:06",""
"7244080","22.9722","0.0006","13.0888","0.0003","5.093","0.0001","90","","90","","90","","1531.36","0.06","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H11 Cl2 N O5 -","- C16 H11 Cl2 N O5 -","- C64 H44 Cl8 N4 O20 -","4","1","","Manojkumar, Palnati; Harilal,; Mahipal, Varukolu; Suresh, Gangadhari; Venkatesh, Nampally; Ramesh, Macha; Parthasarathy, Tigulla","Exploring the charge transfer dynamics of hydrogen bonded crystals of 2-methyl-8-quinolinol and chloranilic acid: synthesis, spectrophotometric, single-crystal, DFT/PCM analysis, antimicrobial, and DNA binding studies","RSC Advances","2021","11","63","39994","40010","10.1039/D1RA07658B","","","0.71073","MoKα","","0.0493","0.0408","","","0.1043","0.1128","","","","","","1.007","","","","has coordinates","271490","2021-12-17","02:09:59",""
"7244081","10.7361","0.0002","12.0568","0.0002","12.4567","0.0002","66.295","0.002","81.685","0.002","82.104","0.001","1455.27","0.05","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H42 Cl4 Cu2 N10 O20 S2 -","- C50 H42 Cl4 Cu2 N10 O20 S2 -","- C50 H42 Cl4 Cu2 N10 O20 S2 -","1","0.5","","Zeng, Zhenfang; Cai, Jiehui; Li, Fuyan; Weng, Yanying; Huang, Qiuping; Yang, Honglan; Huang, Qiuchan; Wei, Youhuan","Synthesis, crystal structures, DNA interactions, and antitumor activity of two new dinuclear copper(ii) complexes with thiazole ligand","RSC Advances","2021","11","63","40040","40050","10.1039/D1RA05798G","","","0.71073","MoKα","","0.0333","0.0293","","","0.0954","0.1001","","","","","","0.82","","","","has coordinates","271491","2021-12-17","02:10:32",""
"7244082","18.402","0.0003","16.2054","0.0003","18.6394","0.0003","90","","97.992","0.002","90","","5504.5","0.16","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H46 Cu2 N10 O20 S2 -","- C50 H46 Cu2 N10 O20 S2 -","- C200 H184 Cu8 N40 O80 S8 -","4","0.5","","Zeng, Zhenfang; Cai, Jiehui; Li, Fuyan; Weng, Yanying; Huang, Qiuping; Yang, Honglan; Huang, Qiuchan; Wei, Youhuan","Synthesis, crystal structures, DNA interactions, and antitumor activity of two new dinuclear copper(ii) complexes with thiazole ligand","RSC Advances","2021","11","63","40040","40050","10.1039/D1RA05798G","","","0.71073","MoKα","","0.0438","0.0412","","","0.125","0.1274","","","","","","1.08","","","","has coordinates","271491","2021-12-17","02:10:33",""
"7244083","5.72904","0.00003","5.72904","0.00003","28.1637","0.0003","90","","90","","120","","800.542","0.01","298","","298","","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","ordered hexagonal perovskite","- Ba4 Mn2.9 O12 Sn1.1 -","- Ba4 Mn2.9 O12 Sn1.1 -","- Ba12 Mn8.7 O36 Sn3.3 -","3","0.0833333","","Wu, Junkun; Yan, Xiaohui; Guo, Wenbin; Wang, Xiaoming; Yin, Congling; Kuang, Xiaojun","Molecule-like cluster magnetism and cationic order in the new hexagonal perovskite Ba4Sn1.1Mn2.9O12","RSC Advances","2021","11","63","40235","40242","10.1039/D1RA07841K","","","1.5418","","","","","","","","","","","","","","","","","","has coordinates","288185","2023-12-08","14:55:26",""
"7244084","9.7583","0.0003","21.2841","0.0007","13.5807","0.0004","90","","92.287","0.002","90","","2818.42","0.15","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H28 N2 O4 S -","- C33 H28 N2 O4 S -","- C132 H112 N8 O16 S4 -","4","2","","Gao, Zhenzhen; Xie, Lei; Ji, Lusha; Ma, Xin; Li, Xiaojing; Liu, Honglei; Guo, Hongchao","Phosphine-catalyzed [3 + 2] annulation of β-sulfonamido-substituted enones with trans-α-cyano-α,β-unsaturated ketones for the synthesis of highly substituted pyrrolidines","RSC Advances","2021","11","63","40136","40139","10.1039/D1RA07881J","","","1.54184","CuKα","","0.0438","0.0378","","","0.0993","0.11","","","","","","1.056","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7244092","8.9979","0.0011","9.4469","0.0011","14.0932","0.0017","90","","90","","90","","1198","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","","Wang, Kai-Kai; Li, Yan-Li; Zhao, Ying-Chao; Zhang, Shan-Shan; Chen, Rongxiang; Sun, Aili","Facile synthesis of O-acylhydroxamates via reaction of oxime chlorides with carboxylic acids","RSC Advances","2021","11","63","40193","40196","10.1039/D1RA06860A","","","0.71073","MoKα","","0.0384","0.0326","","","0.094","0.0983","","","","","","0.979","","","","has coordinates","271556","2021-12-21","02:14:20",""
"7247677","11.3383","0.0003","17.6646","0.0005","25.5872","0.0007","72.04","0.001","79.167","0.001","82.071","0.002","4770.6","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","4,4'-(4,4,9,9-tetraoctyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b']bisthiophene 2,7-diyl)bis{7-[(2,4,5,7-tetranitro-9H-fluoren-9-ylidene)methyl]-2,1,3- benzothiadiazole} acetone chloroform solvate","","- C189 H197 Cl3 N24 O36 S8 -","- C189 H197 Cl3 N24 O36 S8 -","- C189 H197 Cl3 N24 O36 S8 -","1","0.5","","Yuxuan Che; Muhammad Rizwan Niazi; Ting Yu; Thierry Maris; Cheng-Hao Liu; Dongling Ma; Ricardo Izquierdo; Igor F. Perepichka; Dmytro F. Perepichka","Nitrofluorene-based A-D-A electron acceptors for organic photovoltaics","Journal of Material Chemistry C","2023","11","","8186","8195","10.1039/d2tc05127c","","x-ray","1.34139","GaKα","","0.0889","0.0866","","","0.2496","0.2525","","","","","","1.017","","","","has coordinates,has disorder,has Fobs","287431","2023-11-06","14:19:48",""
"7247678","28.704","0.003","27.446","0.003","15.1128","0.0016","90","","93.631","0.005","90","","11882","2","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","5,5'-((((4,4,9,9-tetrahexadecyl-4,9-dihydro-s-indaceno[1,2-b:5,6-b'] dithiophene-2,7-diyl)bis(benzo[c][1,2,5]thiadiazole-7,4-diyl)) bis(furan-5,2-diyl))bis(methaneylylidene)) bis(3-ethyl-2-thioxothiazolidin-4-one) acetone solvate","","- C112 H156 N6 O4 S8 -","- C112 H156 N6 O4 S8 -","- C448 H624 N24 O16 S32 -","4","0.5","","Yuxuan Che; Muhammad Rizwan Niazi; Ting Yu; Thierry Maris; Cheng-Hao Liu; Dongling Ma; Ricardo Izquierdo; Igor F. Perepichka; Dmytro F. Perepichka","Nitrofluorene-based A-D-A electron acceptors for organic photovoltaics","Journal of Material Chemistry C","2023","11","","8186","8195","10.1039/d2tc05127c","","x-ray","1.34139","GaKα","","0.1314","0.125","","","0.4312","0.442","","","","","","1.363","","","","has coordinates,has disorder,has Fobs","287432","2023-11-06","14:22:34",""
"8000395","7.8696","0.0003","7.664","0.0002","22.6439","0.0007","90","","90","","90","","1365.71","0.08","100","0.1","100","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C4 H12 Br4 Cd F4 N2 -","- C4 H12 Br4 Cd F4 N2 -","- C16 H48 Br16 Cd4 F16 N8 -","4","0.5","","Luo, Binbin; Liang, Dehai; Sun, Shanshan; Xiao, Yonghong; Lian, Xin; Li, Xianli; Li, Ming-De; Huang, Xiao-Chun; Zhang, Jin Z.","Breaking Forbidden Transitions for Emission of Self-Trapped Excitons in Two Dimensional (F<sub>2</sub>CHCH<sub>2</sub>NH<sub>3</sub>)<sub>2</sub>CdBr<sub>4</sub> Perovskite through Pb Alloying.","The journal of physical chemistry letters","2020","11","1","199","205","10.1021/acs.jpclett.9b03213","","x-ray","1.54184","CuKα","","0.0383","0.0373","","","0.1067","0.108","","","","","","1.092","","","","has coordinates","246583","2020-10-21","18:00:00",""
"8000415","7.3855","0.0002","9.2351","0.0003","24.6276","0.0008","90","","90","","90","","1679.75","0.09","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O5 -","- C18 H19 N O6 -","- C72 H76 N4 O24 -","4","1","","Xue, Shixin; Zhang, Nan; Hu, Xiaoling; Zeng, Yongfei; Zhang, Jingbo; Xing, Pengyao; Zhao, Yanli","Self-Assembly Evolution of <i>N</i>-Terminal Aromatic Amino Acids with Transient Supramolecular Chirality.","The journal of physical chemistry letters","2020","11","4","1490","1496","10.1021/acs.jpclett.0c00033","","","1.54178","CuKα","","0.0324","0.0315","","","0.0777","0.0787","","","","","","1.083","","","","has coordinates","248718","2020-10-21","18:00:00",""
"8000428","8.4804","0.0002","24.4406","0.0006","7.9107","0.0002","90","","90","","90","","1639.62","0.07","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H20 Br4 N2 Pb -","- C8 H20 Br4 N2 Pb -","- C32 H80 Br16 N8 Pb4 -","4","0.5","","Su, Binbin; Molokeev, Maxim S.; Xia, Zhiguo","Unveiling Mn<sup>2+</sup> Dopant States in Two-Dimensional Halide Perovskite toward Highly Efficient Photoluminescence.","The journal of physical chemistry letters","2020","11","7","2510","2517","10.1021/acs.jpclett.0c00593","","","1.54184","CuKα","","0.0302","0.0299","","","0.0861","0.0863","","","","","","1.095","","","","has coordinates","250119","2020-10-21","18:00:00",""
"8000429","9.6818","0.0002","15.8107","0.0003","26.3785","0.0004","90","","90","","90","","4037.92","0.13","172.99","0.1","172.99","0.1","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C21 H21 Cl2 Fe N O3 -","- C21 H21 Cl2 Fe N O3 -","- C168 H168 Cl16 Fe8 N8 O24 -","8","1","","Zong, Zhaohui; Li, Peizhou; Hao, Aiyou; Xing, Pengyao","Self-Assembly of <i>N</i>-Terminal Aryl Amino Acids into Adaptive Single- and Double-Strand Helices.","The journal of physical chemistry letters","2020","11","10","4147","4155","10.1021/acs.jpclett.0c00997","","x-ray","1.54184","CuKα","","0.0632","0.0569","","","0.1594","0.1754","","","","","","1.142","","","","has coordinates","252623","2020-10-21","18:00:00",""
"8000430","11.0166","0.0002","12.3581","0.0003","22.5772","0.0006","90","","90","","90","","3073.76","0.12","173","0.1","173","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 Cl2 Fe N2 O6 -","- C31 H30 Cl2 Fe N2 O6 -","- C124 H120 Cl8 Fe4 N8 O24 -","4","1","","Zong, Zhaohui; Li, Peizhou; Hao, Aiyou; Xing, Pengyao","Self-Assembly of <i>N</i>-Terminal Aryl Amino Acids into Adaptive Single- and Double-Strand Helices.","The journal of physical chemistry letters","2020","11","10","4147","4155","10.1021/acs.jpclett.0c00997","","x-ray","1.54184","CuKα","","0.1566","0.1435","","","0.3263","0.335","","","","","","1.117","","","","has coordinates,has disorder","252623","2020-10-21","18:00:00",""
"8000431","11.0155","0.0002","12.3587","0.0003","22.5754","0.0005","90","","90","","90","","3073.35","0.12","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H30 Cl2 Fe N2 O6 -","- C31 H30 Cl2 Fe N2 O6 -","- C124 H120 Cl8 Fe4 N8 O24 -","4","1","","Zong, Zhaohui; Li, Peizhou; Hao, Aiyou; Xing, Pengyao","Self-Assembly of <i>N</i>-Terminal Aryl Amino Acids into Adaptive Single- and Double-Strand Helices.","The journal of physical chemistry letters","2020","11","10","4147","4155","10.1021/acs.jpclett.0c00997","","","1.54178","CuKα","","0.1411","0.1365","","","0.3295","0.3326","","","","","","1.088","","","","has coordinates","252623","2020-10-21","18:00:00",""
"8000432","9.6682","0.0001","15.8378","0.0002","26.3801","0.0003","90","","90","","90","","4039.4","0.08","172.99","0.1","172.99","0.1","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C21 H21 Cl2 Fe N O3 -","- C21 H21 Cl2 Fe N O3 -","- C168 H168 Cl16 Fe8 N8 O24 -","8","1","","Zong, Zhaohui; Li, Peizhou; Hao, Aiyou; Xing, Pengyao","Self-Assembly of <i>N</i>-Terminal Aryl Amino Acids into Adaptive Single- and Double-Strand Helices.","The journal of physical chemistry letters","2020","11","10","4147","4155","10.1021/acs.jpclett.0c00997","","x-ray","1.54184","CuKα","","0.0401","0.0382","","","0.1115","0.1146","","","","","","1.13","","","","has coordinates","252623","2020-10-21","18:00:00",""
"8000433","26.564","0.002","26.692","0.002","33.045","0.003","90","","106.652","0.005","90","","22448","3","170","2","170.03","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C788 H832 Cu44 F48 P24 S36 Sb8 -","- C788 H832 Cu44 F48 P24 S36 Sb8 -","- C788 H832 Cu44 F48 P24 S36 Sb8 -","1","0.25","","Li, Hao; Zhai, Hongsheng; Zhou, Chuanjun; Song, Yongbo; Ke, Feng; Xu, Wen Wu; Zhu, Manzhou","Atomically Precise Copper Cluster with Intensely Near-Infrared Luminescence and Its Mechanism.","The journal of physical chemistry letters","2020","11","12","4891","4896","10.1021/acs.jpclett.0c01358","","","1.3418","GaKα","","0.2808","0.1973","","","0.4676","0.5036","","","","","","1.342","","","","has coordinates","253751","2020-10-21","18:00:00",""
"8000434","5.4967","0.0003","13.8112","0.0006","19.849","0.0009","90","","90","","90","","1506.86","0.13","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","9-(4-Iodobenzyl)-9H-Carbazole","9-(4-Iodobenzyl)-9H-Carbazole","","- C19 H14 I N -","- C19 H14 I N -","- C76 H56 I4 N4 -","4","1","","Sun, Huili; Ding, Riqing; Lv, Shanling; Zhou, Shasha; Guo, Sidan; Qian, Zhaosheng; Feng, Hui","Clustering-Triggered Ultralong Room-Temperature Phosphorescence of Organic Crystals through Halogen-Mediated Molecular Assembly.","The journal of physical chemistry letters","2020","11","13","4962","4969","10.1021/acs.jpclett.0c01272","","","0.71073","MoKα","","0.0328","0.0274","","","0.0616","0.0656","","","","","","1.046","","","","has coordinates","253750","2020-10-21","18:00:00",""
"8000435","5.5364","0.0006","13.6786","0.0014","19.513","0.002","90","","90","","90","","1477.7","0.3","273","2","273.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","9-(4-bromobenzyl)-9H-carbazole","9-(4-bromobenzyl)-9H-carbazole","","- C19 H14 Br N -","- C19 H14 Br N -","- C76 H56 Br4 N4 -","4","1","","Sun, Huili; Ding, Riqing; Lv, Shanling; Zhou, Shasha; Guo, Sidan; Qian, Zhaosheng; Feng, Hui","Clustering-Triggered Ultralong Room-Temperature Phosphorescence of Organic Crystals through Halogen-Mediated Molecular Assembly.","The journal of physical chemistry letters","2020","11","13","4962","4969","10.1021/acs.jpclett.0c01272","","","0.71073","MoKα","","0.0457","0.0312","","","0.071","0.0766","","","","","","1.021","","","","has coordinates","253750","2020-10-21","18:00:00",""
"8000448","15.2662","0.0005","51.5233","0.0015","17.4781","0.0005","90","","90.777","0.002","90","","13746.4","0.7","230","","230","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C72 H162 Ag2.68 Au27.31 S18 -","- C72 H162 Ag2.68 Au27.32 S18 -","- C288 H648 Ag10.72 Au109.28 S72 -","4","1","","Li, Yingwei; Taylor, Michael G.; Luo, Tian-Yi; Song, Yongbo; Rosi, Nathaniel L.; Mpourmpakis, Giannis; Jin, Rongchao","Heteroatom Tracing Reveals the 30-Atom Au-Ag Bimetallic Nanocluster as a Dimeric Structure.","The journal of physical chemistry letters","2020","11","17","7307","7312","10.1021/acs.jpclett.0c01977","","x-ray","1.54178","CuKα","","0.1152","0.0865","","","0.1961","0.2107","","","","","","1.079","","","","has coordinates,has disorder","255878","2020-10-21","18:00:00",""
"8000450","15.7472","0.0004","16.9033","0.0007","18.0345","0.0007","64.976","0.004","73.853","0.003","84.654","0.003","4176.6","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C94 H82 N4 O2 S4 -","- C94 H82 N4 O2 S4 -","- C188 H164 N8 O4 S8 -","2","1","","Zhou, Jiadong; Wen, Xinbo; Tang, Ningning; Zhou, Xuehong; Wang, Cong; Zheng, Nan; Liu, Linlin; Xie, Zengqi","Ultrafast and Long-Range Exciton Migration through Anisotropic Coulombic Coupling in the Textured Films of Fused-Ring Electron Acceptors.","The journal of physical chemistry letters","2020","11","18","7908","7913","10.1021/acs.jpclett.0c02569","","x-ray","1.54184","CuKα","","0.0916","0.0573","","","0.1367","0.1508","","","","","","1.037","","","","has coordinates","257162","2020-10-21","18:00:00",""
"8000451","16.1196","0.0003","16.1196","0.0003","17.5219","0.0006","90","","90","","90","","4552.9","0.2","143","2","143","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C72 H64 Mn4 N40 O12 -","- C72 H64 Mn4 N40 O12 -","- C144 H128 Mn8 N80 O24 -","2","0.25","","Liu, Zhi-Bo; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A Three-Dimensional Molecular Perovskite Ferroelastic with Two-Step Switching of Quadratic Nonlinear Optical Properties Tuned by Molecular Chiral Design.","The journal of physical chemistry letters","2020","11","19","7960","7965","10.1021/acs.jpclett.0c02235","","","0.71073","MoKα","","0.1414","0.126","","","0.2778","0.2839","","","","","","1.012","","","","has coordinates","257161","2020-10-21","18:00:00",""
"8000452","11.5389","0.0005","11.5389","0.0005","17.7377","0.0016","90","","90","","90","","2361.7","0.3","293","2","293","2","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","","- C44 H0 Mn2 N22 O8 -","- C44 Mn2 N22 O8 -","- C88 Mn4 N44 O16 -","2","0.0625","","Liu, Zhi-Bo; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A Three-Dimensional Molecular Perovskite Ferroelastic with Two-Step Switching of Quadratic Nonlinear Optical Properties Tuned by Molecular Chiral Design.","The journal of physical chemistry letters","2020","11","19","7960","7965","10.1021/acs.jpclett.0c02235","","","0.71073","MoKα","","0.1396","0.1296","","","0.2698","0.2719","","","","","","1.097","","","","has coordinates","257161","2020-10-21","18:00:00",""
"8000453","11.6357","0.0006","12.2736","0.0006","16.6608","0.0007","90","","90","","90","","2379.4","0.2","282","2","282","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H Mn N10 O -","- C18 H Mn N10 O -","- C72 H4 Mn4 N40 O4 -","4","1","","Liu, Zhi-Bo; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A Three-Dimensional Molecular Perovskite Ferroelastic with Two-Step Switching of Quadratic Nonlinear Optical Properties Tuned by Molecular Chiral Design.","The journal of physical chemistry letters","2020","11","19","7960","7965","10.1021/acs.jpclett.0c02235","","","0.71073","MoKα","","0.0804","0.0623","","","0.1837","0.1943","","","","","","1.085","","","","has coordinates","257161","2020-10-21","18:00:00",""
"8000454","11.1875","0.0006","12.4566","0.0006","16.4477","0.0008","90","","90","","90","","2292.1","0.2","193","2","193","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H0 Mn2 N20 O2 -","- C36 Mn2 N20 O2 -","- C72 Mn4 N40 O4 -","2","0.5","","Liu, Zhi-Bo; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A Three-Dimensional Molecular Perovskite Ferroelastic with Two-Step Switching of Quadratic Nonlinear Optical Properties Tuned by Molecular Chiral Design.","The journal of physical chemistry letters","2020","11","19","7960","7965","10.1021/acs.jpclett.0c02235","","","0.71073","MoKα","","0.1107","0.1027","","","0.2954","0.3039","","","","","","1.143","","","","has coordinates","257161","2020-10-21","18:00:00",""
"8000455","11.6485","0.0006","12.2688","0.0005","16.6697","0.0007","90","","90","","90","","2382.32","0.19","301","2","301","2","","","","","","","","5","P n a m","-P 2c 2n","62","","","","- C18 H8 Mn N10 O -","- C18 H8 Mn N10 O -","- C72 H32 Mn4 N40 O4 -","4","0.5","","Liu, Zhi-Bo; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei","A Three-Dimensional Molecular Perovskite Ferroelastic with Two-Step Switching of Quadratic Nonlinear Optical Properties Tuned by Molecular Chiral Design.","The journal of physical chemistry letters","2020","11","19","7960","7965","10.1021/acs.jpclett.0c02235","","","0.71073","MoKα","","0.1431","0.1372","","","0.3015","0.3036","","","","","","1.098","","","","has coordinates,has disorder","257161","2020-10-21","18:00:00",""
"8000456","11.7122","0.0003","13.4138","0.0003","16.8162","0.0004","90","","103.261","0.002","90","","2571.46","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N2 O7 Zn2 -","- C26 H26 N2 O7 Zn2 -","- C104 H104 N8 O28 Zn8 -","4","1","","Takimoto, Kazuyoshi; Ishihara, Shinsuke; Labuta, Jan; Březina, Václav; Payne, Daniel T.; Hill, Jonathan P.; Ariga, Katsuhiko; Sumita, Masato; Mori, Shigeki; Sato, Hisako","Enantiomeric Excess Dependent Splitting of NMR Signal through Dynamic Chiral Inversion and Coligand Exchange in a Coordination Complex.","The journal of physical chemistry letters","2020","11","19","8164","8169","10.1021/acs.jpclett.0c02284","","","0.71073","MoKα","","0.0445","0.0363","","","0.0791","0.0831","","","","","","1.036","","","","has coordinates","257160","2020-10-21","18:00:00",""
"8000466","10.2996","0.0001","26.3489","0.0002","22.2194","0.0002","90","","92.337","0.001","90","","6024.96","0.09","99.9","0.3","99.9","0.3","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H74 Br9 In N6 O -","- C48 H74 Br9 In N6 O -","- C192 H296 Br36 In4 N24 O4 -","4","2","","Li, Zhongyuan; Song, Gaomin; Li, Ye; Wang, Le; Zhou, Tianliang; Lin, Zheshuai; Xie, Rong-Jun","Realizing Tunable White Light Emission in Lead-Free Indium(III) Bromine Hybrid Single Crystals through Antimony(III) Cation Doping.","The journal of physical chemistry letters","2020","11","23","10164","10172","10.1021/acs.jpclett.0c03079","","x-ray","1.54184","CuKα","","0.0418","0.0362","","","0.0867","0.0961","","","","","","1.063","","","","has coordinates,has disorder","259530","2020-12-04","02:30:19",""
"8000467","18.1441","0.0013","8.418","0.0005","8.6907","0.0006","90","","98.909","0.002","90","","1311.38","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Bis[4-(Trifluoromethyl)benzylammonium] Lead(II) Tetraiodide; [4-(Trifluoromethyl)benzylammonium]2PbI4","Bis{[4-(Trifluoromethyl)phenyl]methanammonium} Lead(II) Tetraiodide","","- C16 H18 F6 I4 N2 Pb -","- C16 H18 F6 I4 N2 Pb -","- C32 H36 F12 I8 N4 Pb2 -","2","0.5","","Wang, Pei-Xi; Najarian, Amin Morteza; Hao, Zhaomin; Johnston, Andrew; Voznyy, Oleksandr; Hoogland, Sjoerd; Sargent, Edward H.","Structural Distortion and Bandgap Increase of Two-Dimensional Perovskites Induced by Trifluoromethyl Substitution on Spacer Cations.","The journal of physical chemistry letters","2020","11","23","10144","10149","10.1021/acs.jpclett.0c02909","","","0.71073","MoKα","","0.0443","0.0285","","","0.06","0.0635","","","","","","0.999","","","","has coordinates,has disorder","259531","2020-12-04","02:30:30",""
"8000471","11.952","0.002","12.348","0.003","13.306","0.003","63.93","0.03","85.6","0.03","73.85","0.03","1692","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H28 F4 -","- C42 H26 F4 -","- C84 H52 F8 -","2","1","","Ma, Suqian; Liu, Yingjie; Zhang, Jibo; Xu, Bin; Tian, Wenjing","Polymorphism-Dependent Enhanced Emission in Molecular Aggregates: J-Aggregate versus X-Aggregate.","The journal of physical chemistry letters","2020","11","24","10504","10510","10.1021/acs.jpclett.0c02917","","","0.65252","","","0.0618","0.0562","","","0.1543","0.1617","","","","","","1.025","","","","has coordinates","260405","2021-01-04","02:31:13",""
"8000472","15.036","0.003","11.848","0.002","8.5039","0.0017","90","","95.07","0.03","90","","1509","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H26 F4 -","- C42 H26 F4 -","- C84 H52 F8 -","2","0.5","","Ma, Suqian; Liu, Yingjie; Zhang, Jibo; Xu, Bin; Tian, Wenjing","Polymorphism-Dependent Enhanced Emission in Molecular Aggregates: J-Aggregate versus X-Aggregate.","The journal of physical chemistry letters","2020","11","24","10504","10510","10.1021/acs.jpclett.0c02917","","","0.71073","MoKα","","0.1361","0.0632","","","0.121","0.1456","","","","","","1.002","","","","has coordinates","260406","2021-01-04","02:31:39",""
"9005378","12.061","","4.836","","5.383","","90","","104.6","","90","","303.836","","","","","","","","","","","","Cetine mine, Siena, Italy","2","C 1 2/c 1","-C 2yc","15","","","Clinocervantite","- O2 Sb -","- O2 Sb -","- O16 Sb8 -","8","1","","Basso, R.; Lucchetti, G.; Zefiro, L.; Palenzona, A.","Clinocervantite, B-Sb2O4, the natural monoclinic polymorph of cervantite from the Cetine mine, Siena, Italy Note: z-coordinate to O2 altered by communications with R Basso, April, 2003","European Journal of Mineralogy","1999","11","","95","100","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005379","7.421","","6.754","","13.624","","90","","90","","90","","682.854","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","Vergasovaite","- Cu3 Mo0.742 O9 S1.258 -","- Cu3 Mo0.742 O9 S1.258 -","- Cu12 Mo2.968 O36 S5.032 -","4","0.5","","Berlepsch, P.; Armbruster, T.; Brugger, J.; Bykova, E. Y.; Kartashov, P. M.","The crystal structure of vergasovaite Cu3O[(Mo,S)O4SO4], and its relation to synthetic Cu3O[MoO4]2","European Journal of Mineralogy","1999","11","","101","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005380","4.946","","20.51","","7.277","","90","","90","","90","","738.197","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","Kanemite","- H6 Na O8 Si2 -","- H6 Na O8 Si2 -","- H24 Na4 O32 Si8 -","4","0.5","","Vortmann, S.; Rius, J.; Marler, B.; Gies, H.","Structure solution from powder data of the hydrous layer silicate kanemite, a precursor of the industrial ion exchanger SKS-6","European Journal of Mineralogy","1999","11","","125","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:52:11",""
"9005381","15.88","","15.88","","7.118","","90","","90","","120","","1554.5","","","","","","","","","","","","","9","R 3 m :H","R 3 -2""","160","","","Liddicoatite","- Al7 B3 Ca0.483 H3.93 K0.105 Li2 Na0.412 O33 Si6 -","- Al6.99999 B3 Ca0.483 H3.99999 K0.105 Li2.00001 Na0.412 O33 Si6 -","- Al21 B9 Ca1.449 H12 K0.315 Li6.00003 Na1.236 O99 Si18 -","3","0.166667","","Aurisicchio C; Demartin F; Ottolini L; Pezzotta F","Homogeneous liddicoatite from Madagascar: a possible reference material? First EMPA, SIMS and SREF data Sample: 1 Locality: Madagascar","European Journal of Mineralogy","1999","11","","237","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005382","15.882","","15.882","","7.115","","90","","90","","120","","1554.23","","","","","","","","","","","","","9","R 3 m :H","R 3 -2""","160","","","Liddicoatite","- Al7 B3 Ca0.452 H3.93 K0.04 Li2 Na0.435 O33 Si6 -","- Al6.99999 B3 Ca0.452 H3.99999 K0.04 Li2.00001 Na0.435 O33 Si6 -","- Al21 B9 Ca1.356 H12 K0.12 Li6.00003 Na1.305 O99 Si18 -","3","0.166667","","Aurisicchio C; Demartin F; Ottolini L; Pezzotta F","Homogeneous liddicoatite from Madagascar: a possible reference material? First EMPA, SIMS and SREF data Sample: 2 Locality: Madagascar","European Journal of Mineralogy","1999","11","","237","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:33",""
"9005383","5.21397","","9.0521","","19.9968","","90","","95.736","","90","","939.071","","","","293","","","","","","heating, from powder neutron diffraction, and thermodynamic consequences Sample: T = 293 K","","","9","C 1 2/c 1","-C 2yc","15","","","Phengite","- Al2.43 F0.12 Fe0.34 H1.88 K0.94 Mg0.04 Na0.03 O11.88 Si3.24 -","- Al2.43 F0.12 Fe0.34 H1.88 K0.94 Mg0.04 Na0.03 O11.88 Si3.24 -","- Al9.72 F0.48 Fe1.36 H7.52 K3.76 Mg0.16 Na0.12 O47.52 Si12.96 -","4","0.5","","Pavese, A.; Ferraris, G.; Pischedda, V.; Ibberson, R.","Tetrahedral order in phengite 2M_1 upon heating, from powder neutron diffraction, and thermodynamic consequences Sample: T = 293 K Note: O5 z-coordinate altered.","European Journal of Mineralogy","1999","11","","309","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005384","5.23899","","9.1048","","20.244","","90","","95.684","","90","","960.89","","","","873","","","","","","heating, from powder neutron diffraction, and thermodynamic consequences Sample: T = 873 K","","","9","C 1 2/c 1","-C 2yc","15","","","Phengite","- Al2.43 F0.12 Fe0.34 H1.88 K0.94 Mg0.04 Na0.03 O11.88 Si3.24 -","- Al2.43 F0.12 Fe0.34 H1.88 K0.94 Mg0.04 Na0.03 O11.88 Si3.24 -","- Al9.72 F0.48 Fe1.36 H7.52 K3.76 Mg0.16 Na0.12 O47.52 Si12.96 -","4","0.5","","Pavese, A.; Ferraris, G.; Pischedda, V.; Ibberson, R.","Tetrahedral order in phengite 2M_1 upon heating, from powder neutron diffraction, and thermodynamic consequences Sample: T = 873 K","European Journal of Mineralogy","1999","11","","309","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005385","9.8535","","18.0154","","5.2752","","90","","104.892","","90","","904.973","","","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","Fluoro-edenite","- Al Ca2 F2 Mg5 Na O22 Si7 -","- Al Ca2 F2 Mg5 Na O22 Si7 -","- Al2 Ca4 F4 Mg10 Na2 O44 Si14 -","2","0.25","","Welch, M. D.; Knight, K. S.","A neutron powder diffraction study of cation ordering in high-temperature synthetic amphiboles","European Journal of Mineralogy","1999","11","","321","331","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005386","9.893","","17.937","","5.2802","","90","","105.518","","90","","902.819","","","","","","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","Pargasite","- Al3 Ca2 H2 Mg4 Na O24 Si6 -","- Al3 Ca2 H2 Mg4 Na O24 Si6 -","- Al6 Ca4 H4 Mg8 Na2 O48 Si12 -","2","0.25","","Welch, M. D.; Knight, K. S.","A neutron powder diffraction study of cation ordering in high-temperature synthetic amphiboles","European Journal of Mineralogy","1999","11","","321","331","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005387","25.104","","25.104","","25.104","","90","","90","","90","","15820.8","","","","","","","","","","","","","4","F d -3 :2","-F 2uv 2vw 3","203","","","Faujasite-Na","- Al3 Na2.92 O12 Si3 -","- Al3 Na2.92 O12 Si3 -","- Al96 Na93.44 O384 Si96 -","32","0.333333","","Porcher, F.; Souhassou, M.; Dusausoy, Y.; Lecomte, C.","The crystal structure of a low-silica dehydrated NaX zeolite","European Journal of Mineralogy","1999","11","","333","343","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005388","9.86","","17.984","","5.291","","90","","105.24","","90","","905.218","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Kaersutite","- Al2.512 Ca1.675 Cl0.008 F0.014 H1.356 K0.199 Mg4.13 Na0.889 O23.978 Si6.168 Ti0.43 -","- Al2.512 Ca1.6752 Cl0.008 F0.014 H1.356 K0.1991 Mg4.13 Na0.8888 O23.978 Si6.168 Ti0.43 -","- Al5.024 Ca3.3504 Cl0.016 F0.028 H2.712 K0.3982 Mg8.26 Na1.7776 O47.956 Si12.336 Ti0.86 -","2","0.25","","Tiepolo, M.; Zanetti, A.; Oberti, R.","Detection, crystal-chemical mechanisms and petrological implications of Ti partitioning in pargasite and kaersutite Sample: K1","European Journal of Mineralogy","1999","11","","345","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9005389","9.906","","18.015","","5.296","","90","","105.35","","90","","911.391","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Kaersutite","- Al2.319 Ca1.742 Cl0.002 F0.014 H1.305 K0.193 Mg4.12 Na0.913 O23.984 Si6.131 Ti0.57 -","- Al2.3188 Ca1.742 Cl0.002 F0.014 H1.305 K0.1931 Mg4.12 Na0.913 O23.984 Si6.1312 Ti0.57 -","- Al4.6376 Ca3.484 Cl0.004 F0.028 H2.61 K0.3862 Mg8.24 Na1.826 O47.968 Si12.2624 Ti1.14 -","2","0.25","","Tiepolo, M.; Zanetti, A.; Oberti, R.","Detection, crystal-chemical mechanisms and petrological implications of Ti4+ partitioning in pargasite and kaersutite Sample: K2","European Journal of Mineralogy","1999","11","","345","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9005390","9.907","","18.019","","5.304","","90","","105.38","","90","","912.931","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Kaersutite","- Al2.463 Ca1.734 Cl0.002 F0.009 H1.403 K0.226 Mg4.082 Na0.932 O23.989 Si5.967 Ti0.64 -","- Al2.4628 Ca1.734 Cl0.002 F0.009 H1.403 K0.2261 Mg4.082 Na0.9319 O23.989 Si5.9672 Ti0.64 -","- Al4.9256 Ca3.468 Cl0.004 F0.018 H2.806 K0.4522 Mg8.164 Na1.8638 O47.978 Si11.9344 Ti1.28 -","2","0.25","","Tiepolo, M.; Zanetti, A.; Oberti, R.","Detection, crystal-chemical mechanisms and petrological implications of Ti4+ partitioning in pargasite and kaersutite Sample: K3","European Journal of Mineralogy","1999","11","","345","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9005391","9.903","","17.995","","5.304","","90","","105.44","","90","","911.084","","","","","","","","","","","","","11","C 1 2/m 1","-C 2y","12","","","Kaersutite","- Al2.61 Ca1.789 Cl0.003 F0.014 H1.378 K0.215 Mg3.976 Na0.901 O23.983 Si5.86 Ti0.67 -","- Al2.61 Ca1.7892 Cl0.003 F0.014 H1.378 K0.2149 Mg3.976 Na0.901 O23.983 Si5.86 Ti0.67 -","- Al5.22 Ca3.5784 Cl0.006 F0.028 H2.756 K0.4298 Mg7.952 Na1.802 O47.966 Si11.72 Ti1.34 -","2","0.25","","Tiepolo, M.; Zanetti, A.; Oberti, R.","Detection, crystal-chemical mechanisms and petrological implications of Ti4+ partitioning in pargasite and kaersutite Sample: K4","European Journal of Mineralogy","1999","11","","345","354","","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:13",""
"9005392","9.198","","3.091","","9.355","","90","","90","","90","","265.972","","","","","","","","","","","","Inglefield Land, North-West Greenland","8","P n m a","-P 2ac 2n","62","","","Yuanfuliite","- Al0.226 B Cr0.018 Fe0.717 Mg0.963 Mn0.005 O4 Ti0.07 -","- Al0.226 B Cr0.018 Fe0.717 Mg0.963 Mn0.005 O4 Ti0.07 -","- Al0.904 B4 Cr0.072 Fe2.868 Mg3.852 Mn0.02 O16 Ti0.28 -","4","0.5","","Appel, P. W. U.; Bigi, S.; Brigatti, M. F.","Crystal structure and chemistry of yuanfuliite and its relationships with warwickite Sample: 425359","European Journal of Mineralogy","1999","11","","483","491","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005393","9.174","","3.084","","9.337","","90","","90","","90","","264.168","","","","","","","","","","","","Inglefield Land, North-West Greenland","7","P n m a","-P 2ac 2n","62","","","Yuanfuliite","- Al0.283 B Cr0.005 Fe0.665 Mg0.969 O4 Ti0.077 -","- Al0.283 B Cr0.005 Fe0.665 Mg0.969 O4 Ti0.077 -","- Al1.132 B4 Cr0.02 Fe2.66 Mg3.876 O16 Ti0.308 -","4","0.5","","Appel, P. W. U.; Bigi, S.; Brigatti, M. F.","Crystal structure and chemistry of yuanfuliite and its relationships with warwickite Sample: 425360","European Journal of Mineralogy","1999","11","","483","491","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005394","9.0718","","9.0718","","11.57","","90","","90","","120","","824.614","","","","","","","","","","","","Leadhills, Scotland","5","P 3","P 3","143","","","Susannite","- C2 H2 O12 Pb4 S -","- C2 H2 O12 Pb4 S -","- C6 H6 O36 Pb12 S3 -","3","1","","Steele, I. M.; Pluth, J. J.; Livingstone, A.","Crystal structure of susannite, Pb4SO4(CO3)2(OH)2: a trimorph with macphersonite and leadhillite","European Journal of Mineralogy","1999","11","","493","499","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:52:18",""
"9005395","8.4654","","8.4654","","8.4654","","90","","90","","90","","606.656","","","","","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Al0.034 Fe1.94 Mg0.035 Mn0.374 O4 Zn0.616 -","- Al0.034 Fe1.94 Mg0.035 Mn0.374 O4 Zn0.616 -","- Al0.272 Fe15.52 Mg0.28 Mn2.992 O32 Zn4.928 -","8","0.0416667","","Lucchesi, S.; Russo, U.; Della Giusta, A.","Cation distribution in natural Zn-spinels: franklinite Sample: FRK2","European Journal of Mineralogy","1999","11","","501","511","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005396","8.4641","","8.4641","","8.4641","","90","","90","","90","","606.376","","","","","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Al0.034 Fe1.937 Mg0.043 Mn0.37 O4 Zn0.616 -","- Al0.034 Fe1.937 Mg0.043 Mn0.37 O4 Zn0.616 -","- Al0.272 Fe15.496 Mg0.344 Mn2.96 O32 Zn4.928 -","8","0.0416667","","Lucchesi, S.; Russo, U.; Della Giusta, A.","Cation distribution in natural Zn-spinels: franklinite Sample: FRK3","European Journal of Mineralogy","1999","11","","501","511","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005397","8.4434","","8.4434","","8.4434","","90","","90","","90","","601.938","","","","","","","","","","","","","7","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Al0.141 Fe1.785 Mg0.044 Mn0.351 O4 Ti0.024 Zn0.638 -","- Al0.141 Fe1.785 Mg0.044 Mn0.351 O4 Ti0.024 Zn0.638 -","- Al1.128 Fe14.28 Mg0.352 Mn2.808 O32 Ti0.192 Zn5.104 -","8","0.0416667","","Lucchesi, S.; Russo, U.; Della Giusta, A.","Cation distribution in natural Zn-spinels: franklinite Sample: FRK5","European Journal of Mineralogy","1999","11","","501","511","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005398","8.4431","","8.4431","","8.4431","","90","","90","","90","","601.874","","","","","","","","","","","","","7","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Al0.143 Fe1.761 Mg0.042 Mn0.333 O4 Ti0.026 Zn0.697 -","- Al0.143 Fe1.761 Mg0.042 Mn0.333 O4 Ti0.026 Zn0.697 -","- Al1.144 Fe14.088 Mg0.336 Mn2.664 O32 Ti0.208 Zn5.576 -","8","0.0416667","","Lucchesi, S.; Russo, U.; Della Giusta, A.","Cation distribution in natural Zn-spinels: franklinite Sample: FRK6","European Journal of Mineralogy","1999","11","","501","511","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005399","8.4428","","8.4428","","8.4428","","90","","90","","90","","601.81","","","","","","","","","","","","","7","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Al0.141 Fe1.772 Mg0.037 Mn0.326 O4 Ti0.026 Zn0.698 -","- Al0.141 Fe1.772 Mg0.037 Mn0.326 O4 Ti0.026 Zn0.698 -","- Al1.128 Fe14.176 Mg0.296 Mn2.608 O32 Ti0.208 Zn5.584 -","8","0.0416667","","Lucchesi, S.; Russo, U.; Della Giusta, A.","Cation distribution in natural Zn-spinels: franklinite Sample: FRK7","European Journal of Mineralogy","1999","11","","501","511","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005400","8.4688","","8.4688","","8.4688","","90","","90","","90","","607.387","","","","","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Al0.028 Fe1.91 Mg0.035 Mn0.426 O4 Zn0.602 -","- Al0.028 Fe1.91 Mg0.035 Mn0.426 O4 Zn0.602 -","- Al0.224 Fe15.28 Mg0.28 Mn3.408 O32 Zn4.816 -","8","0.0416667","","Lucchesi, S.; Russo, U.; Della Giusta, A.","Cation distribution in natural Zn-spinels: franklinite Sample: FRK8","European Journal of Mineralogy","1999","11","","501","511","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005401","8.4466","","8.4466","","8.4466","","90","","90","","90","","602.623","","","","","","","","","","","","","7","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Al0.129 Fe1.832 Mg0.038 Mn0.328 O4 Ti0.016 Zn0.658 -","- Al0.129 Fe1.832 Mg0.038 Mn0.328 O4 Ti0.016 Zn0.658 -","- Al1.032 Fe14.656 Mg0.304 Mn2.624 O32 Ti0.128 Zn5.264 -","8","0.0416667","","Lucchesi, S.; Russo, U.; Della Giusta, A.","Cation distribution in natural Zn-spinels: franklinite Sample: FRK10","European Journal of Mineralogy","1999","11","","501","511","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005402","8.4585","","8.4585","","8.4585","","90","","90","","90","","605.174","","","","","","","","","","","","","6","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Al0.031 Fe1.924 Mg0.056 Mn0.317 O4 Zn0.67 -","- Al0.031 Fe1.924 Mg0.056 Mn0.317 O4 Zn0.67 -","- Al0.248 Fe15.392 Mg0.448 Mn2.536 O32 Zn5.36 -","8","0.0416667","","Lucchesi, S.; Russo, U.; Della Giusta, A.","Cation distribution in natural Zn-spinels: franklinite Sample: FRK12","European Journal of Mineralogy","1999","11","","501","511","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005403","8.4585","","8.4585","","8.4585","","90","","90","","90","","605.174","","","","","","","","","","","","","7","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Al0.06 Fe1.924 Mg0.028 Mn0.323 O4 Ti0.004 Zn0.661 -","- Al0.06 Fe1.924 Mg0.028 Mn0.323 O4 Ti0.004 Zn0.661 -","- Al0.48 Fe15.392 Mg0.224 Mn2.584 O32 Ti0.032 Zn5.288 -","8","0.0416667","","Lucchesi, S.; Russo, U.; Della Giusta, A.","Cation distribution in natural Zn-spinels: franklinite Sample: FRK13","European Journal of Mineralogy","1999","11","","501","511","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005404","7.029","","7.029","","16.789","","90","","90","","120","","718.361","","","","","","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","Hinsdalite","- Al3 H6 O14 P1.38 Pb S0.62 -","- Al3 H6 O14 P1.38 Pb1.00002 S0.62 -","- Al9 H18 O42 P4.14 Pb3.00006 S1.86 -","3","0.0833333","","Kolitsch, U.; Tiekink, E. R. T.; Slade, P. G.; Taylor, M. R.; Pring, A.","Hinsdalite and plumbogummite, their atomic arrangements and disordered lead sites","European Journal of Mineralogy","1999","11","","513","520","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:45",""
"9005405","7.039","","7.039","","16.761","","90","","90","","120","","719.205","","","","","","","","","","","","","6","R -3 m :H","-R 3 2""","166","","","Plumbogummite","- Al3 As0.1 H6 O14 P1.9 Pb -","- Al3 As0.1 H6 O14 P1.9 Pb1.00002 -","- Al9 As0.3 H18 O42 P5.7 Pb3.00006 -","3","0.0833333","","Kolitsch, U.; Tiekink, E. R. T.; Slade, P. G.; Taylor, M. R.; Pring, A.","Hinsdalite and plumbogummite, their atomic arrangements and disordered lead sites","European Journal of Mineralogy","1999","11","","513","520","","","","","","","","","","","","","","","","","","","","","","has coordinates","283911","2023-05-21","08:37:45",""
"9005406","5.445","","5.873","","5.104","","114.95","","93.05","","91.92","","147.494","","","","","","","","","","","","","4","P 1","P 1","1","","","Gilmarite","- As Cu3 H3 O7 -","- As Cu3 H3 O7 -","- As Cu3 H3 O7 -","1","1","","Sarp, H.; Cerny, R.","Gilmarite, Cu3(AsO4)(OH)3, a new mineral: its description and crystal structure","European Journal of Mineralogy","1999","11","","549","555","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:52:21",""
"9005407","11.999","","11.999","","11.999","","90","","90","","90","","1727.57","","","","","","","","","","","","Mt. Vulture, Southern Italy","9","I a -3 d","-I 4bd 2c 3","230","","","Melanite","- Al0.67 Ca2.751 Fe1.338 H0.168 Mg0.051 Mn0.069 O12 Si2.88 Ti0.211 -","- Al0.67 Ca2.751 Fe1.338 Mg0.051 Mn0.069 O12 Si2.88 Ti0.211 -","- Al5.36 Ca22.008 Fe10.704 Mg0.408 Mn0.552 O96 Si23.04 Ti1.688 -","8","0.0833333","","Scordari, F.; Schingaro, E.; Pedrazzi, G.","Crystal chemistry of melanites from Mt. Vulture (Southern Italy) Sample: LC2","European Journal of Mineralogy","1999","11","","855","869","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005408","11.999","","11.999","","11.999","","90","","90","","90","","1727.57","","","","","","","","","","","","Mt. Vulture, Southern Italy","9","I a -3 d","-I 4bd 2c 3","230","","","Melanite","- Al0.66 Ca2.751 Fe1.35 H0.168 Mg0.051 Mn0.069 O12 Si2.871 Ti0.221 -","- Al0.66 Ca2.751 Fe1.35 Mg0.051 Mn0.069 O12 Si2.871 Ti0.221 -","- Al5.28 Ca22.008 Fe10.8 Mg0.408 Mn0.552 O96 Si22.968 Ti1.768 -","8","0.0833333","","Scordari, F.; Schingaro, E.; Pedrazzi, G.","Crystal chemistry of melanites from Mt. Vulture (Southern Italy) Sample: LC3","European Journal of Mineralogy","1999","11","","855","869","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005409","11.995","","11.995","","11.995","","90","","90","","90","","1725.84","","","","","","","","","","","","Mt. Vulture, Southern Italy","9","I a -3 d","-I 4bd 2c 3","230","","","Melanite","- Al0.67 Ca2.751 Fe1.339 H0.192 Mg0.051 Mn0.069 O12 Si2.871 Ti0.21 -","- Al0.67 Ca2.751 Fe1.339 Mg0.051 Mn0.069 O12 Si2.871 Ti0.21 -","- Al5.36 Ca22.008 Fe10.712 Mg0.408 Mn0.552 O96 Si22.968 Ti1.68 -","8","0.0833333","","Scordari, F.; Schingaro, E.; Pedrazzi, G.","Crystal chemistry of melanites from Mt. Vulture (Southern Italy) Sample: LC6","European Journal of Mineralogy","1999","11","","855","869","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005410","12.015","","12.015","","12.015","","90","","90","","90","","1734.49","","","","","","","","","","","","Mt. Vulture, Southern Italy","9","I a -3 d","-I 4bd 2c 3","230","","","Melanite","- Al0.55 Ca2.781 Fe1.408 H0.12 Mg0.06 Mn0.069 O12 Si2.85 Ti0.261 -","- Al0.55 Ca2.781 Fe1.408 Mg0.06 Mn0.069 O12 Si2.85 Ti0.261 -","- Al4.4 Ca22.248 Fe11.264 Mg0.48 Mn0.552 O96 Si22.8 Ti2.088 -","8","0.0833333","","Scordari, F.; Schingaro, E.; Pedrazzi, G.","Crystal chemistry of melanites from Mt. Vulture (Southern Italy) Sample: LC9","European Journal of Mineralogy","1999","11","","855","869","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005411","12.013","","12.013","","12.013","","90","","90","","90","","1733.62","","","","","","","","","","","","Mt. Vulture, Southern Italy","9","I a -3 d","-I 4bd 2c 3","230","","","Melanite","- Al0.55 Ca2.799 Fe1.432 H0.12 Mg0.051 Mn0.069 O12 Si2.85 Ti0.231 -","- Al0.55 Ca2.799 Fe1.432 Mg0.051 Mn0.069 O12 Si2.85 Ti0.231 -","- Al4.4 Ca22.392 Fe11.456 Mg0.408 Mn0.552 O96 Si22.8 Ti1.848 -","8","0.0833333","","Scordari, F.; Schingaro, E.; Pedrazzi, G.","Crystal chemistry of melanites from Mt. Vulture (Southern Italy) Sample: LC10","European Journal of Mineralogy","1999","11","","855","869","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005412","12.014","","12.014","","12.014","","90","","90","","90","","1734.06","","","","","","","","","","","","Mt. Vulture, Southern Italy","9","I a -3 d","-I 4bd 2c 3","230","","","Melanite","- Al0.56 Ca2.781 Fe1.411 H0.156 Mg0.06 Mn0.06 O12 Si2.85 Ti0.251 -","- Al0.56 Ca2.781 Fe1.411 Mg0.06 Mn0.06 O12 Si2.85 Ti0.251 -","- Al4.48 Ca22.248 Fe11.288 Mg0.48 Mn0.48 O96 Si22.8 Ti2.008 -","8","0.0833333","","Scordari, F.; Schingaro, E.; Pedrazzi, G.","Crystal chemistry of melanites from Mt. Vulture (Southern Italy) Sample: LC13","European Journal of Mineralogy","1999","11","","855","869","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005413","12.832","","12.832","","12.832","","90","","90","","90","","2112.92","","","","","","","","","","","","Central Pyrenees, France","6","P a -3","-P 2ac 2ab 3","205","","","Nabiasite","- As0.618 Ba H2 Mn9 O26 V5.382 -","- As0.618 Ba H2 Mn9 O26 V5.382 -","- As2.472 Ba4 H8 Mn36 O104 V21.528 -","4","0.166667","","Brugger, J.; Bonin, M.; Schenk, K. J.; Meisser, N.; Berlepsch, P.; Ragu, A.","Description and crystal structure of nabiasite, BaMn9[(V,As)O4]6(OH)2, a new mineral from the Central Pyrenees (France)","European Journal of Mineralogy","1999","11","","879","890","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005414","7.0541","","8.6925","","6.5445","","90","","113.903","","90","","366.876","","","","","","","","","","","","","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.099 Ca F0.099 O4.901 Si Ti0.901 -","- Al0.099 Ca F0.099 O4.901 Si Ti0.901 -","- Al0.396 Ca4 F0.396 O19.604 Si4 Ti3.604 -","4","0.5","","Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J","Crystal structural changes in titanite along the join TiO-AlF Sample: AlF09","European Journal of Mineralogy","1999","11","","955","965","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005415","7.0511","","8.6722","","6.5325","","90","","114.026","","90","","364.845","","","","","","","","","","","","","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.182 Ca F0.182 O4.818 Si Ti0.818 -","- Al0.182 Ca F0.182 O4.818 Si Ti0.818 -","- Al0.728 Ca4 F0.728 O19.272 Si4 Ti3.272 -","4","0.5","","Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J","Crystal structural changes in titanite along the join TiO-AlF Sample: AlF18","European Journal of Mineralogy","1999","11","","955","965","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005416","7.0462","","8.6529","","6.5231","","90","","114.143","","90","","362.925","","","","","","","","","","","","","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.291 Ca F0.291 O4.709 Si Ti0.709 -","- Al0.291 Ca F0.291 O4.709 Si Ti0.709 -","- Al1.164 Ca4 F1.164 O18.836 Si4 Ti2.836 -","4","0.5","","Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J","Crystal structural changes in titanite along the join TiO-AlF Sample: AlF29","European Journal of Mineralogy","1999","11","","955","965","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005417","7.0368","","8.636","","6.5135","","90","","114.232","","90","","360.948","","","","","","","","","","","","","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.372 Ca F0.372 O4.628 Si Ti0.628 -","- Al0.372 Ca F0.372 O4.628 Si Ti0.628 -","- Al1.488 Ca4 F1.488 O18.512 Si4 Ti2.512 -","4","0.5","","Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J","Crystal structural changes in titanite along the join TiO-AlF Sample: AlF37","European Journal of Mineralogy","1999","11","","955","965","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005418","7.0229","","8.613","","6.5023","","90","","114.344","","90","","358.342","","","","","","","","","","","","","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.489 Ca F0.489 O4.511 Si Ti0.511 -","- Al0.489 Ca F0.489 O4.511 Si Ti0.511 -","- Al1.956 Ca4 F1.956 O18.044 Si4 Ti2.044 -","4","0.5","","Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J","Crystal structural changes in titanite along the join TiO-AlF Sample: AlF49","European Journal of Mineralogy","1999","11","","955","965","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005419","6.9904","","8.5759","","6.4798","","90","","114.48","","90","","353.537","","","","","","","","","","","","","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.672 Ca F0.672 O4.328 Si Ti0.328 -","- Al0.672 Ca F0.672 O4.328 Si Ti0.328 -","- Al2.688 Ca4 F2.688 O17.312 Si4 Ti1.312 -","4","0.5","","Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J","Crystal structural changes in titanite along the join TiO-AlF Sample: AlF67","European Journal of Mineralogy","1999","11","","955","965","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005420","6.958","","8.5445","","6.4612","","90","","114.585","","90","","349.312","","","","","","","","","","","","","6","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al0.819 Ca F0.819 O4.181 Si Ti0.181 -","- Al0.819 Ca F0.819 O4.181 Si Ti0.181 -","- Al3.276 Ca4 F3.276 O16.724 Si4 Ti0.724 -","4","0.5","","Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J","Crystal structural changes in titanite along the join TiO-AlF Sample: AlF82","European Journal of Mineralogy","1999","11","","955","965","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005421","6.9157","","8.5076","","6.4391","","90","","114.683","","90","","344.236","","","","","","","","","","","","","5","A 1 2/a 1","-A 2ya","15","","","Titanite","- Al Ca F O4 Si -","- Al Ca F O4 Si -","- Al4 Ca4 F4 O16 Si4 -","4","0.5","","Troitzsch, U.; Ellis, D. J.; Thompson, J.; Fitz-Gerald J","Crystal structural changes in titanite along the join TiO-AlF Sample: AlF100","European Journal of Mineralogy","1999","11","","955","965","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005422","10.862","","7.483","","5.15","","90","","90","","90","","418.594","","","","","","","","","","","","","16","P n m a","-P 2ac 2n","62","","","Aeschynite-(Y)","- Ca0.01 Ce0.005 Dy0.065 Er0.034 Gd0.068 Nb0.05 Nd0.011 O6 Pr0.001 Sm0.01 Th0.06 Ti1.95 U0.004 W0.03 Y0.639 Yb0.025 -","- Ca0.01 Ce0.005 Dy0.065 Er0.034 Gd0.068 Nb0.05 Nd0.011 O6 Pr0.001 Sm0.01 Th0.06 Ti1.95 U0.004 W0.03 Y0.639 Yb0.025 -","- Ca0.04 Ce0.02 Dy0.26 Er0.136 Gd0.272 Nb0.2 Nd0.044 O24 Pr0.004 Sm0.04 Th0.24 Ti7.8 U0.016 W0.12 Y2.556 Yb0.1 -","4","0.5","","Bonazzi, P.; Menchetti, S.","Crystal chemistry of aeschynite-(Y) from the Western Alps: residual electron density on difference-Fourier map Sample: TR1 Locality: western Alps","European Journal of Mineralogy","1999","11","6","1043","1049","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005423","10.803","","7.532","","5.18","","90","","90","","90","","421.487","","","","","","","","","","","","","17","P n m a","-P 2ac 2n","62","","","Aeschynite-(Y)","- Ca0.01 Ce0.009 Dy0.071 Er0.043 Gd0.072 La0.001 Nb0.03 Nd0.032 O6.02 Pr0.003 Sm0.034 Th0.12 Ti1.95 U0.02 W0.02 Y0.54 Yb0.03 -","- Ca0.01 Ce0.009 Dy0.071 Er0.043 Gd0.072 La0.001 Nb0.03 Nd0.032 O6.02 Pr0.003 Sm0.034 Th0.12 Ti1.95 U0.02 W0.02 Y0.54 Yb0.03 -","- Ca0.04 Ce0.036 Dy0.284 Er0.172 Gd0.288 La0.004 Nb0.12 Nd0.128 O24.08 Pr0.012 Sm0.136 Th0.48 Ti7.8 U0.08 W0.08 Y2.16 Yb0.12 -","4","0.5","","Bonazzi, P.; Menchetti, S.","Crystal chemistry of aeschynite-(Y) from the Western Alps: residual electron density on difference-Fourier map Sample: MI Locality: western Alps","European Journal of Mineralogy","1999","11","6","1043","1049","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005424","10.904","","7.49","","5.189","","90","","90","","90","","423.791","","","","","","","","","","","","","17","P n m a","-P 2ac 2n","62","","","Aeschynite-(Y)","- Ca0.02 Ce0.011 Dy0.079 Er0.034 Gd0.091 Nb0.09 Nd0.026 O6 Pr0.002 Sm0.016 Ta0.01 Th0.1 Ti1.81 U0.03 W0.11 Y0.55 Yb0.022 -","- Ca0.02 Ce0.011 Dy0.079 Er0.034 Gd0.091 Nb0.09 Nd0.026 O6 Pr0.002 Sm0.016 Ta0.01 Th0.1 Ti1.81 U0.03 W0.11 Y0.55 Yb0.022 -","- Ca0.08 Ce0.044 Dy0.316 Er0.136 Gd0.364 Nb0.36 Nd0.104 O24 Pr0.008 Sm0.064 Ta0.04 Th0.4 Ti7.24 U0.12 W0.44 Y2.2 Yb0.088 -","4","0.5","","Bonazzi, P.; Menchetti, S.","Crystal chemistry of aeschynite-(Y) from the Western Alps: residual electron density on difference-Fourier map Sample: TR2 Locality: western Alps","European Journal of Mineralogy","1999","11","6","1043","1049","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005425","10.881","","7.484","","5.156","","90","","90","","90","","419.871","","","","","","","","","","","","","16","P n m a","-P 2ac 2n","62","","","Aeschynite-(Y)","- Ce0.001 Dy0.076 Er0.041 Fe0.01 Gd0.056 Nb0.17 Nd0.005 O6 Sm0.013 Ta0.01 Th0.04 Ti1.8 U0.08 W0.06 Y0.61 Yb0.025 -","- Ce0.001 Dy0.076 Er0.041 Fe0.01 Gd0.056 Nb0.17 Nd0.005 O6 Sm0.013 Ta0.01 Th0.04 Ti1.8 U0.08 W0.06 Y0.61 Yb0.025 -","- Ce0.004 Dy0.304 Er0.164 Fe0.04 Gd0.224 Nb0.68 Nd0.02 O24 Sm0.052 Ta0.04 Th0.16 Ti7.2 U0.32 W0.24 Y2.44 Yb0.1 -","4","0.5","","Bonazzi, P.; Menchetti, S.","Crystal chemistry of aeschynite-(Y) from the Western Alps: residual electron density on difference-Fourier map Sample: CE - note: O1 z coordinate altered to match reported bond lengths Locality: western Alps","European Journal of Mineralogy","1999","11","6","1043","1049","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005426","11.031","","7.448","","5.188","","90","","90","","90","","426.24","","","","","","","","","","","","","19","P n m a","-P 2ac 2n","62","","","Aeschynite-(Y)","- Ca0.01 Ce0.005 Dy0.042 Er0.023 Fe0.03 Gd0.042 La0.001 Nb0.36 Nd0.015 O6 Pr0.001 Sm0.017 Ta0.22 Th0.07 Ti1.41 U0.04 W0.05 Y0.65 Yb0.018 -","- Ca0.01 Ce0.005 Dy0.042 Er0.023 Fe0.03 Gd0.042 La0.001 Nb0.36 Nd0.015 O6 Pr0.001 Sm0.017 Ta0.22 Th0.07 Ti1.41 U0.04 W0.05 Y0.65 Yb0.018 -","- Ca0.04 Ce0.02 Dy0.168 Er0.092 Fe0.12 Gd0.168 La0.004 Nb1.44 Nd0.06 O24 Pr0.004 Sm0.068 Ta0.88 Th0.28 Ti5.64 U0.16 W0.2 Y2.6 Yb0.072 -","4","0.5","","Bonazzi, P.; Menchetti, S.","Crystal chemistry of aeschynite-(Y) from the Western Alps: residual electron density on difference-Fourier map Sample: VV Locality: western Alps","European Journal of Mineralogy","1999","11","6","1043","1049","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005427","17.675","","17.9572","","7.4091","","90","","116.304","","90","","2108.1","","","","","","","","","","","","volcanoclastites of North-Western Sardinia","7","C 1 2/m 1","-C 2y","12","","","Clinoptilolite-Ca","- Ca0.86 H20.423 K0.64 Mg0.26 Na0.66 O49.42 Si18 -","- Ca0.86 H26.84 K0.64 Mg0.26 Na0.66 O49.42 Si18 -","- Ca1.72 H53.68 K1.28 Mg0.52 Na1.32 O98.84 Si36 -","2","0.25","","Cappelletti, P.; Langella, A.; Cruciani, G.","Crystal-chemistry and synchrotron Rietveld refinement of two different clinoptilolites from volcanoclastites of North-Western Sardinia Sample: LAC1","European Journal of Mineralogy","1999","11","","1051","1060","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9005428","17.6589","","17.9241","","7.4034","","90","","116.243","","90","","2101.79","","","","","","","","","","","","volcanoclastites of North-Western Sardinia","6","C 1 2/m 1","-C 2y","12","","","Clinoptilolite-Ca","- Ca0.74 H11.526 K1.22 Na0.26 O50.12 Si18 -","- Ca0.74 H28.64 K1.22 Na0.26 O50.32 Si18 -","- Ca1.48 H57.28 K2.44 Na0.52 O100.64 Si36 -","2","0.25","","Cappelletti, P.; Langella, A.; Cruciani, G.","Crystal-chemistry and synchrotron Rietveld refinement of two different clinoptilolites from volcanoclastites of North-Western Sardinia Sample: ZC16","European Journal of Mineralogy","1999","11","","1051","1060","","","","","","","","","","","","","","","","","","","","","","has coordinates","283912","2023-05-21","08:41:26",""
"9005779","13.0229","","8.7977","","5.8428","","90","","90.234","","90","","669.413","","","","5","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Ca Fe2.925 H Mn0.075 O9 Si2 -","- Ca Fe2.925 H Mn0.075 O9 Si2 -","- Ca4 Fe11.7 H4 Mn0.3 O36 Si8 -","4","1","","Ghose, S.; Hewat, A. W.; Marezio, M.","A neutron powder diffraction study of the crystal and magnetic structures of ilvaite from 305 K to 5 K - a mixed valence iron silicate with an electronic transition Sample: T = 5 K","Physics and Chemistry of Minerals","1984","11","","67","74","10.1007/BF00308007","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005780","13.023","","8.7994","","5.8422","","90","","90.231","","90","","669.479","","","","80","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Ca Fe2.825 H Mn0.175 O9 Si2 -","- Ca Fe2.825 H Mn0.175 O9 Si2 -","- Ca4 Fe11.3 H4 Mn0.7 O36 Si8 -","4","1","","Ghose, S.; Hewat, A. W.; Marezio, M.","A neutron powder diffraction study of the crystal and magnetic structures of ilvaite from 305 K to 5 K - a mixed valence iron silicate with an electronic transition Sample: T = 80 K","Physics and Chemistry of Minerals","1984","11","","67","74","10.1007/BF00308007","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005781","13.0244","","8.8006","","5.8445","","90","","90.233","","90","","669.906","","","","150","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Ca Fe2.8 H Mn0.2 O9 Si2 -","- Ca Fe2.8 H Mn0.2 O9 Si2 -","- Ca4 Fe11.2 H4 Mn0.8 O36 Si8 -","4","1","","Ghose, S.; Hewat, A. W.; Marezio, M.","A neutron powder diffraction study of the crystal and magnetic structures of ilvaite from 305 K to 5 K - a mixed valence iron silicate with an electronic transition Sample: T = 150 K","Physics and Chemistry of Minerals","1984","11","","67","74","10.1007/BF00308007","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9005782","13.0207","","8.8121","","5.8609","","90","","90.249","","90","","672.472","","","","305","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","Ilvaite","- Ca Fe2.75 H Mn0.25 O9 Si2 -","- Ca Fe2.75 H Mn0.25 O9 Si2 -","- Ca4 Fe11 H4 Mn O36 Si8 -","4","1","","Ghose, S.; Hewat, A. W.; Marezio, M.","A neutron powder diffraction study of the crystal and magnetic structures of ilvaite from 305 K to 5 K - a mixed valence iron silicate with an electronic transition Sample: T = 305 K","Physics and Chemistry of Minerals","1984","11","","67","74","10.1007/BF00308007","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:42",""
"9007444","8.58","","6.73","","4.77","","90","","90","","90","","275.436","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Zinkosite","- O4 S Zn -","- O4 S Zn -","- O16 S4 Zn4 -","4","0.5","","Kokkoros, P. A.; Rentzeperis, P. J.","The crystal structure of the anhydrous sulphates of copper and zinc","Acta Crystallographica","1958","11","","361","364","10.1107/S0365110X58000955","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007445","13.04","","9.01","","5.55","","90","","106.502","","90","","625.213","","","","","","","","","","","","Synthetic","3","C 1 2/c 1","-C 2yc","15","","","","- Al4 O7 Sr -","- Al4 O7 Sr -","- Al16 O28 Sr4 -","4","0.5","","Boyko, E. R.; Wisnyi, L. G.","The optical properties and structures of CaO*2Al2O3 and SrO*2Al2O3","Acta Crystallographica","1958","11","","444","445","10.1107/S0365110X58001183","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007446","12.89","","8.88","","5.45","","90","","107.05","","90","","596.407","","","","","","","","","","","","Synthetic","3","C 1 2/c 1","-C 2yc","15","","","Grossite","- Al4 Ca O7 -","- Al4 Ca O7 -","- Al16 Ca4 O28 -","4","0.5","","Boyko, E. R.; Wisnyi, L. G.","The optical properties and structures of CaO*2Al2O3 and SrO*2Al2O3","Acta Crystallographica","1958","11","","444","445","10.1107/S0365110X58001183","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9010716","15.88","","15.88","","7.118","","90","","90","","120","","1554.5","","","","","","","","","","","","","9","R 3 m :H","R 3 -2""","160","","","Liddicoatite","- Al7 B3 Ca0.483 H3.333 K0.105 Li2 Na0.412 O31 Si6 -","- Al6.99999 B3 Ca0.483 H3.33333 K0.105 Li2.00001 Na0.412 O31 Si6 -","- Al21 B9 Ca1.449 H9.99999 K0.315 Li6.00003 Na1.236 O93 Si18 -","3","0.166667","","Aurisicchio, C.; Demartin, F.; Ottolini, L.; Pezzotta, F.","Homogeneous liddicoatite from Madagascar: a possible reference material? First EMPA, SIMS and SREF data Sample: 1 Locality: Madagascar","European Journal of Mineralogy","1999","11","","237","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9010717","15.882","","15.882","","7.115","","90","","90","","120","","1554.23","","","","","","","","","","","","","9","R 3 m :H","R 3 -2""","160","","","Liddicoatite","- Al7 B3 Ca0.452 H3.333 K0.04 Li2 Na0.435 O31 Si6 -","- Al6.99999 B3 Ca0.452 H3.33333 K0.04 Li2.00001 Na0.435 O31 Si6 -","- Al21 B9 Ca1.356 H9.99999 K0.12 Li6.00003 Na1.305 O93 Si18 -","3","0.166667","","Aurisicchio, C.; Demartin, F.; Ottolini, L.; Pezzotta, F.","Homogeneous liddicoatite from Madagascar: a possible reference material? First EMPA, SIMS and SREF data Sample: 2 Locality: Madagascar","European Journal of Mineralogy","1999","11","","237","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9011014","8.8","","3.95","","5.96","","90","","90.67","","90","","207.155","","","","","","","","","","","","Peanut mine, Montrose County, Colorado, USA","3","I 1 2/c 1","","","","","Duttonite","- H2 O3 V -","- H2 O3 V -","- H8 O12 V4 -","4","0.5","","Evans, H. T.; Mrose, M. E.","The crystal structures of three new vanadium oxide minerals Note: x(OH2) corrected","Acta Crystallographica","1958","11","","56","58","10.1107/S0365110X58000141","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011015","12.17","","2.99","","4.83","","90","","98.25","","90","","173.937","","","","","","","","","","","","Carlile, Wyoming, USA","2","C 1 2/m 1","-C 2y","12","","","Haggite","- O5 V2 -","- O5 V2 -","- O10 V4 -","2","0.25","","Evans, H. T.; Mrose, M. E.","The crystal structures of three new vanadium oxide minerals","Acta Crystallographica","1958","11","","56","58","10.1107/S0365110X58000141","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011016","19.64","","2.99","","4.83","","90","","103.92","","90","","275.305","","","","","","","","","","","","Carlile, Wyoming, USA","2","C 1 2/m 1","-C 2y","12","","","Doloresite","- O8 V3 -","- O8 V3 -","- O16 V6 -","2","0.25","","Evans, H. T.; Mrose, M. E.","The crystal structures of three new vanadium oxide minerals","Acta Crystallographica","1958","11","","56","58","10.1107/S0365110X58000141","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:46",""
"9011017","8.4","","9.79","","18.93","","90","","90","","90","","1556.73","","","","","","","","","","","","Synthetic","4","P b c a","-P 2ac 2ab","61","","","Mercallite","- H K O4 S -","- H K O4 S -","- H16 K16 O64 S16 -","16","2","","Loopstra, L. H.; MacGillavry, V. H.","The crystal structure of KHSO4 (mercallite)","Acta Crystallographica","1958","11","","349","354","10.1107/S0365110X58000943","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011018","11.05","","8.23","","5.54","","90","","100.58","","90","","495.251","","","","","","","","","","","","Synthetic","5","P 1 21/a 1","-P 2yab","14","","","Changoite","- H8 Na2 O12 S2 Zn -","- H8 Na2 O12 S2 Zn -","- H16 Na4 O24 S4 Zn2 -","2","0.5","","Giglio, M.","Die kristallstruktur von Na2Zn(SO4)2*4H2O (Zn-blodit)","Acta Crystallographica","1958","11","","789","794","10.1107/S0365110X5800222X","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011850","13.48","","13.48","","8.49","","90","","90","","120","","1336.04","","","","","","","","","","","","Synthetic","2","P 6/m m m","-P 6 2","191","","","Stutzite","- Ag35 Te20 -","- Ag35 Te20 -","- Ag35 Te20 -","1","0.0416667","","Imamov, R. M.; Pinsker, Z. G.","Determination of the crystal structure of the hexagonal phase in the silver-tellurium system","Soviet Physics Crystallography","1966","11","","182","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012059","9.066","","9.066","","7.873","","90","","90","","120","","560.405","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","","","- K3 O13 Si2 Ta3 -","- K3 O13 Si2 Ta3 -","- K6 O26 Si4 Ta6 -","2","0.166667","","Choisnet, J.; Nguyen, N.; Groult, D.; Raveau, B.","De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7: Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta)","Materials Research Bulletin","1976","11","","887","894","10.1016/0025-5408(76)90160-4","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012060","9.032","","9.032","","8.041","","90","","90","","120","","568.079","","","","","","","","","","","","","4","P -6 2 m","P -6 -2","189","","","","- K3 Nb3 O13 Si2 -","- K3 Nb3 O13 Si2 -","- K6 Nb6 O26 Si4 -","2","0.166667","","Choisnet, J.; Nguyen, N.; Groult, D.; Raveau, B.","De nouveaux oxydes a reseau forme d'octahedres NbO6 (TaO6) et de groupes Si2O7: Les phases A3Ta6Si4O26 (A = Ba,Sr) et K6M6Si4O26 (M = Nb,Ta)","Materials Research Bulletin","1976","11","","887","894","10.1016/0025-5408(76)90160-4","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012595","4.45","","4.45","","41.532","","90","","90","","120","","712.252","","","","","","","","","","","","Synthetic","3","R -3 m :H","-R 3 2""","166","","","Rucklidgeite","- Bi2.28 Pb0.57 Te4 -","- Bi2.28 Pb0.57 Te4 -","- Bi6.84 Pb1.71 Te12 -","3","0.0833333","","Zhukova, T. B.; Zaslavskii, A. I.","X-ray structure determination of PbBi4Te7","Zhurnal Strukturnoi Khimii","1970","11","","462","468","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012687","6.66","","8.83","","5.42","","92.75","","94.25","","72.33","","302.756","","","","","","","","","","","","Synthetic","4","P -1","-P 1","2","","","Parakeldyshite","- Na2 O7 Si2 Zr -","- Na2 O7 Si2 Zr -","- Na4 O14 Si4 Zr2 -","2","1","","Voronkov, A. A.; Shumyatskaya, N. G.; Pyatenko, Y. A.","Crystal structure of a new natural modification of Na2Zr[Si2O7]","Journal of Structural Chemistry","1970","11","","866","867","10.1007/BF00743401","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012903","5.7221","","5.7269","","12.541","","90","","90","","90","","410.967","","","","","","","","","","","","Synthetic","4","A c m m","-A 2 2b","67","","","","- Cl F O Pb2 -","- Cl F O Pb2 -","- Cl4 F4 O4 Pb8 -","4","0.25","","Aurivillius, B.","A case of mimetic twinning. The crystal structures of Pb2OFX (X=Cl, Br, and I) Locality: synthetic Sample: Pb2OFCl(L), isostructural with blixite","Chemica Scripta","1977","11","","208","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012904","5.7293","","5.7293","","12.5602","","90","","90","","90","","412.287","","","","","","","","","","","","Synthetic","4","A c m m","-A 2 2b","67","","","","- Cl F O Pb2 -","- Cl F O Pb2 -","- Cl4 F4 O4 Pb8 -","4","0.25","","Aurivillius, B.","A case of mimetic twinning. The crystal structures of Pb2OFX (X=Cl, Br, and I) Locality: synthetic Sample: Pb2OFCl(H), part A of the twin, isostructural with blixite","Chemica Scripta","1977","11","","208","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012905","5.7293","","5.7293","","12.5602","","90","","90","","90","","412.287","","","","","","","","","","","","Synthetic","4","A c m m","-A 2 2b","67","","","","- Cl F O Pb2 -","- Cl F O Pb2 -","- Cl4 F4 O4 Pb8 -","4","0.25","","Aurivillius, B.","A case of mimetic twinning. The crystal structures of Pb2OFX (X=Cl, Br, and I) Locality: synthetic Sample: Pb2OFCl(H), part B of the twin, isostructural with blixite","Chemica Scripta","1977","11","","208","211","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013973","11.777","","13.891","","6.46","","90","","90","","90","","1056.82","","","","","","","","","","","","Clear Creek claim, San Benito County, California","3","P b m a","-P 2a 2ab","57","","","Hanawaltite","- Cl2 Hg7 O3 -","- Cl2 Hg7 O3 -","- Cl8 Hg28 O12 -","4","0.5","","Roberts, A. C.; Grice, J. D.; Gault, R. A.; Criddle, A. J.; Erd, R. C.","Hanawaltite, Hg1+6Hg2+[Cl,(OH)]2O3 - A new mineral from the Clear Creek claim, San Benito County, California: Description and crystal structure","Powder Diffraction","1996","11","","45","50","10.1017/S0885715600008915","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014084","15.882","","15.882","","7.115","","90","","90","","120","","1554.23","","","","","","","","","","","","Madagascar","10","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7 B3 Ca0.452 F0.327 H3.39 K0.04 Li2 Na0.435 O30.672 Si6 -","- Al6.99999 B3 Ca0.452 F0.327 H3.39 K0.04 Li2.00001 Na0.435 O30.672 Si6 -","- Al21 B9 Ca1.356 F0.981 H10.17 K0.12 Li6.00003 Na1.305 O92.016 Si18 -","3","0.166667","","Aurisicchio, C.; Demartin, F.; Ottolini, L.; Pezzotta, F.","Homogeneous liddicoatite from Madagascar: a possible reference material? First EMPA, SIMS and SREF data Sample: 2","European Journal of Mineralogy","1999","11","","237","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9014601","15.88","","15.88","","7.118","","90","","90","","120","","1554.5","","","","","","","","","","","","Madagascar","10","R 3 m :H","R 3 -2""","160","","","Fluor-liddicoatite","- Al7 B3 Ca0.483 F0.327 H3.291 K0.105 Li2 Na0.412 O30.672 Si6 -","- Al6.99999 B3 Ca0.483 F0.327 H3.291 K0.105 Li2.00001 Na0.412 O30.672 Si6 -","- Al21 B9 Ca1.449 F0.981 H9.873 K0.315 Li6.00003 Na1.236 O92.016 Si18 -","3","0.166667","","Aurisicchio, C.; Demartin, F.; Ottolini, L.; Pezzotta, F.","Homogeneous liddicoatite from Madagascar: a possible reference material? First EMPA, SIMS and SREF data Sample: 1","European Journal of Mineralogy","1999","11","","237","242","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9016230","5.383","","7.053","","12.17","","93.16","","107.82","","90.06","","439.135","","","","","","","","","","","","","5","P 1","P 1","1","","","Murmanite","- H4 Na2 O11 Si2 Ti2 -","- H4 Na2 O11 Si2 Ti2 -","- H8 Na4 O22 Si4 Ti4 -","2","2","","Khalilov, A. D.","Refinement of the crystal structure of murmanite and new data on its crystal-chemical characteristics","Mineralogiceskij Zhurnal","1989","11","","19","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:52",""
"9017772","14.866","","22.24","","10.394","","90","","90","","90","","3436.46","","","","30","","","","","","","","Uchucchacua, Oyon district, Catajambo, Lima Department, Peru","4","P n a 21","P 2c -2n","33","","","Spryite","- Ag24 As2 Ge S18 -","- Ag24 As2 Ge S18 -","- Ag96 As8 Ge4 S72 -","4","1","","Bindi, L.; Morana, M.","Twinning, superstructure and chemical ordering in spryite, Ag8(As3+0.50As5+0.50)S6, at ultra-low temperature: An X-ray single-crystal study Note: T = 30 K","Minerals","2021","11","","","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""